smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCCN(C[C@@H](O)COc3cc(C)cc(C)c3)CC2)cc1 ZINC000084085947 205393269 /nfs/dbraw/zinc/39/32/69/205393269.db2.gz NOZKQOIPJFVTCX-OAQYLSRUSA-N 0 3 384.520 3.264 20 10 GGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000151376038 564917096 /nfs/dbraw/zinc/91/70/96/564917096.db2.gz WQSUJYWJMNGJLB-CJNGLKHVSA-N 0 3 388.327 3.308 20 10 GGCDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000155655251 565070331 /nfs/dbraw/zinc/07/03/31/565070331.db2.gz VDIACYZPLNOWPX-PBHICJAKSA-N 0 3 384.362 3.079 20 10 GGCDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])N1CCN(C)CC1 ZINC000184976788 565169191 /nfs/dbraw/zinc/16/91/91/565169191.db2.gz YDOLXOIGSSKZCO-WMLDXEAASA-N 0 3 384.362 3.077 20 10 GGCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185345649 565197120 /nfs/dbraw/zinc/19/71/20/565197120.db2.gz JFRRSVCXTWBHCJ-GJZGRUSLSA-N 0 3 384.362 3.079 20 10 GGCDHN C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(Br)ccc1[O-] ZINC000185491359 565204303 /nfs/dbraw/zinc/20/43/03/565204303.db2.gz NAHOFYGGVCARSM-UONOGXRCSA-N 0 3 383.330 3.306 20 10 GGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000372505476 565242129 /nfs/dbraw/zinc/24/21/29/565242129.db2.gz RCMLGMLVCSSEMD-MLGOLLRUSA-N 0 3 394.313 3.380 20 10 GGCDHN CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)ccc1[O-] ZINC000373459115 565286991 /nfs/dbraw/zinc/28/69/91/565286991.db2.gz DDHXQCZJDDMBPF-QAPCUYQASA-N 0 3 396.373 3.364 20 10 GGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cc(Br)ccc1[O-] ZINC000273534250 565324876 /nfs/dbraw/zinc/32/48/76/565324876.db2.gz WXLZRCCQKHURNH-ULFGMLNVSA-N 0 3 383.330 3.183 20 10 GGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1[O-] ZINC000187487364 565335936 /nfs/dbraw/zinc/33/59/36/565335936.db2.gz JWNADKASOZIIFC-TZMCWYRMSA-N 0 3 386.286 3.036 20 10 GGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1[O-] ZINC000275366105 565405884 /nfs/dbraw/zinc/40/58/84/565405884.db2.gz BQEPVUYWCPSMOL-DOTOQJQBSA-N 0 3 380.286 3.207 20 10 GGCDHN COCCOCCOCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275396099 565408215 /nfs/dbraw/zinc/40/82/15/565408215.db2.gz ZHTPQIVQSDIFPN-AWEZNQCLSA-N 0 3 390.318 3.183 20 10 GGCDHN C[C@H](O)c1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000377616141 565490410 /nfs/dbraw/zinc/49/04/10/565490410.db2.gz OOWKCRJGXCAANX-WFASDCNBSA-N 0 3 381.929 3.310 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377811832 565500070 /nfs/dbraw/zinc/50/00/70/565500070.db2.gz PUEAGSTWOHZVHL-JKSUJKDBSA-N 0 3 381.314 3.139 20 10 GGCDHN COC(=O)C[C@](C)(NCc1cc(Br)cc(C)c1O)c1ccncc1 ZINC000191904384 565641803 /nfs/dbraw/zinc/64/18/03/565641803.db2.gz IFIWVTQNWMRYQI-SFHVURJKSA-N 0 3 393.281 3.426 20 10 GGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1[O-] ZINC000280921900 565703172 /nfs/dbraw/zinc/70/31/72/565703172.db2.gz HKAJCVDLOMHMLT-NSHDSACASA-N 0 3 376.316 3.081 20 10 GGCDHN COc1cc(O)c(CN(C)[C@@H](CO)c2cccc(Br)c2)cc1OC ZINC000180575144 566073439 /nfs/dbraw/zinc/07/34/39/566073439.db2.gz PSNZILVNYQWJNI-HNNXBMFYSA-N 0 3 396.281 3.337 20 10 GGCDHN COc1cc(O)c(CN(C)[C@H](CO)c2cccc(Br)c2)cc1OC ZINC000180575166 566073823 /nfs/dbraw/zinc/07/38/23/566073823.db2.gz PSNZILVNYQWJNI-OAHLLOKOSA-N 0 3 396.281 3.337 20 10 GGCDHN Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1[O-] ZINC000367752438 566214613 /nfs/dbraw/zinc/21/46/13/566214613.db2.gz GQLQAJZONUSSGY-YESZJQIVSA-N 0 3 383.330 3.147 20 10 GGCDHN Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1[O-] ZINC000367752435 566214906 /nfs/dbraw/zinc/21/49/06/566214906.db2.gz GQLQAJZONUSSGY-BRWVUGGUSA-N 0 3 383.330 3.147 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H]1CCCc3ccccc31)cc2=O ZINC000103509968 570886174 /nfs/dbraw/zinc/88/61/74/570886174.db2.gz GHFVEBKCFKTPTI-SFHVURJKSA-N 0 3 380.448 3.121 20 10 GGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000820410394 599370279 /nfs/dbraw/zinc/37/02/79/599370279.db2.gz FBPPQDRMWYVTNX-JKSUJKDBSA-N 0 3 378.480 3.115 20 10 GGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000820410394 599370280 /nfs/dbraw/zinc/37/02/80/599370280.db2.gz FBPPQDRMWYVTNX-JKSUJKDBSA-N 0 3 378.480 3.115 20 10 GGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824618225 609133764 /nfs/dbraw/zinc/13/37/64/609133764.db2.gz NIYPOGPRGLHKMY-CQSZACIVSA-N 0 3 398.511 3.410 20 10 GGCDHN COc1ccc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000053946010 1406563175 /nfs/dbraw/zinc/56/31/75/1406563175.db2.gz YPHBSHZISCWGLL-UHFFFAOYSA-N 0 3 388.533 3.468 20 10 GGCDHN O=S(=O)(c1ccc(CNCc2ccc3c(c2)CCO3)cc1)N1CCCCC1 ZINC000054153188 1406634036 /nfs/dbraw/zinc/63/40/36/1406634036.db2.gz YVRZYVZALDAXIK-UHFFFAOYSA-N 0 3 386.517 3.086 20 10 GGCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C(=O)Nc4nncs4)CC3)c2c1 ZINC000054388916 1406713674 /nfs/dbraw/zinc/71/36/74/1406713674.db2.gz MGKICOITRAYGII-UHFFFAOYSA-N 0 3 398.488 3.256 20 10 GGCDHN CCCS(=O)(=O)NC1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000054514208 1406759513 /nfs/dbraw/zinc/75/95/13/1406759513.db2.gz DZECYQJLNOCUCQ-UHFFFAOYSA-N 0 3 382.570 3.292 20 10 GGCDHN CN(C)c1ccc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000017317608 1399278680 /nfs/dbraw/zinc/27/86/80/1399278680.db2.gz RUUBDXAVHUUONA-UHFFFAOYSA-N 0 3 387.549 3.217 20 10 GGCDHN CCOc1cc(CNCc2ccc(N(C)C)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000017318063 1399278891 /nfs/dbraw/zinc/27/88/91/1399278891.db2.gz XPMITKHWHQEIKN-KRWDZBQOSA-N 0 3 399.535 3.297 20 10 GGCDHN CCOC(=O)c1ccc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)nc1 ZINC000026631610 1399912781 /nfs/dbraw/zinc/91/27/81/1399912781.db2.gz ZJCSDTAEFYTFJI-UHFFFAOYSA-N 0 3 391.471 3.439 20 10 GGCDHN CN(C)c1ccc(CN(C)C(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000047009141 1404672675 /nfs/dbraw/zinc/67/26/75/1404672675.db2.gz SHPVXKTXEXPQRC-UHFFFAOYSA-N 0 3 390.597 3.256 20 10 GGCDHN CN(C)Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000047505653 1404854371 /nfs/dbraw/zinc/85/43/71/1404854371.db2.gz TWCPWTASADWYCM-UHFFFAOYSA-N 0 3 386.471 3.046 20 10 GGCDHN CC(C)[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000052007067 1405897374 /nfs/dbraw/zinc/89/73/74/1405897374.db2.gz UTVFJHWKYIMLGN-HSZRJFAPSA-N 0 3 399.510 3.265 20 10 GGCDHN COc1ccc(CNCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1C ZINC000063526128 1408367294 /nfs/dbraw/zinc/36/72/94/1408367294.db2.gz HTHXYGVACWPACU-UHFFFAOYSA-N 0 3 376.522 3.322 20 10 GGCDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000067247415 1409052181 /nfs/dbraw/zinc/05/21/81/1409052181.db2.gz QZWQCZLEDUWDAF-UHFFFAOYSA-N 0 3 380.492 3.477 20 10 GGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176622083 1428382459 /nfs/dbraw/zinc/38/24/59/1428382459.db2.gz ZZDORJKXTKUZFH-UHFFFAOYSA-N 0 3 390.572 3.174 20 10 GGCDHN CCCN(CC(=O)NCc1ccccc1Cn1cccn1)Cc1ccccc1O ZINC000068973672 1409535800 /nfs/dbraw/zinc/53/58/00/1409535800.db2.gz HMXXAJFEGVFGRE-UHFFFAOYSA-N 0 3 392.503 3.165 20 10 GGCDHN CCCCNC(=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 ZINC000069681248 1409674263 /nfs/dbraw/zinc/67/42/63/1409674263.db2.gz ATVPDUMWDMNOTC-UHFFFAOYSA-N 0 3 381.520 3.343 20 10 GGCDHN CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000090462838 1410064442 /nfs/dbraw/zinc/06/44/42/1410064442.db2.gz FDSPXELXVPLSFF-LPHOPBHVSA-N 0 3 379.570 3.469 20 10 GGCDHN CCOc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1O[C@@H](C)C(=O)N(C)C ZINC000091956627 1410095160 /nfs/dbraw/zinc/09/51/60/1410095160.db2.gz OSGDIJOQGSEVLM-INIZCTEOSA-N 0 3 386.492 3.278 20 10 GGCDHN CCOc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1O[C@@H](C)C(=O)N(C)C ZINC000091956627 1410095164 /nfs/dbraw/zinc/09/51/64/1410095164.db2.gz OSGDIJOQGSEVLM-INIZCTEOSA-N 0 3 386.492 3.278 20 10 GGCDHN O=C(Nc1ccccc1)NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092480438 1410160287 /nfs/dbraw/zinc/16/02/87/1410160287.db2.gz IVHAQYGCALVDAC-UHFFFAOYSA-N 0 3 394.519 3.309 20 10 GGCDHN COc1cc(CN2CCN(Cc3cc(C)ccc3O)CC2)cc(OC)c1OC ZINC000093760517 1410264522 /nfs/dbraw/zinc/26/45/22/1410264522.db2.gz WJFFOIIXFJPVDZ-UHFFFAOYSA-N 0 3 386.492 3.044 20 10 GGCDHN CN(Cc1cc2c(cc1O)OCO2)[C@H](CO)c1cccc(Br)c1 ZINC000093815636 1410270708 /nfs/dbraw/zinc/27/07/08/1410270708.db2.gz NPATTYCDHNALBG-CQSZACIVSA-N 0 3 380.238 3.049 20 10 GGCDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000098173797 1410436681 /nfs/dbraw/zinc/43/66/81/1410436681.db2.gz BTAMTFCVRSMNKX-UHFFFAOYSA-N 0 3 384.455 3.368 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000103509080 1410864887 /nfs/dbraw/zinc/86/48/87/1410864887.db2.gz MDBGUCFUAHFXDF-MRXNPFEDSA-N 0 3 383.492 3.209 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000103512849 1410865518 /nfs/dbraw/zinc/86/55/18/1410865518.db2.gz XRJVYADLSRCYLJ-WMZOPIPTSA-N 0 3 383.492 3.426 20 10 GGCDHN CCN1CCN(C[C@H](C)CNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000104191661 1410886593 /nfs/dbraw/zinc/88/65/93/1410886593.db2.gz GMESQAAJYRPOJL-MRXNPFEDSA-N 0 3 388.581 3.159 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](c1ccc(F)cc1)C1CCC1)cc2=O ZINC000104703172 1410933435 /nfs/dbraw/zinc/93/34/35/1410933435.db2.gz RCFUVOPIAUIYHG-IBGZPJMESA-N 0 3 398.438 3.382 20 10 GGCDHN CCOCCCNC(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177025970 1428559382 /nfs/dbraw/zinc/55/93/82/1428559382.db2.gz MYUXXESGQMGULC-UHFFFAOYSA-N 0 3 396.915 3.003 20 10 GGCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000109347508 1411745865 /nfs/dbraw/zinc/74/58/65/1411745865.db2.gz BFDGADZNQKJHAZ-QZTJIDSGSA-N 0 3 399.510 3.360 20 10 GGCDHN Cc1cc(C(=O)N(C)CCCN2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000110018839 1411825426 /nfs/dbraw/zinc/82/54/26/1411825426.db2.gz MHLWVJZPBNVWRV-UHFFFAOYSA-N 0 3 382.552 3.112 20 10 GGCDHN CCCN(CC(=O)NCCOc1ccc(Cl)cc1)Cc1ccccc1O ZINC000110079415 1411830361 /nfs/dbraw/zinc/83/03/61/1411830361.db2.gz OPFFQMKARCYFSB-UHFFFAOYSA-N 0 3 376.884 3.453 20 10 GGCDHN O=c1[nH]c(CCN(Cc2ccco2)Cc2ccccc2O)nc2ccccc12 ZINC000111232757 1411896690 /nfs/dbraw/zinc/89/66/90/1411896690.db2.gz NEDARWBTPDPNJA-UHFFFAOYSA-N 0 3 375.428 3.467 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000111608350 1412001304 /nfs/dbraw/zinc/00/13/04/1412001304.db2.gz LDXYMXRGMQGYJY-SFHVURJKSA-N 0 3 397.519 3.180 20 10 GGCDHN C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000112366998 1412135999 /nfs/dbraw/zinc/13/59/99/1412135999.db2.gz BDSNPOQOMXOQHX-OXJNMPFZSA-N 0 3 383.467 3.118 20 10 GGCDHN Cc1nc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000112536807 1412165404 /nfs/dbraw/zinc/16/54/04/1412165404.db2.gz FASZXKSCTLHDNK-LSDHHAIUSA-N 0 3 388.537 3.274 20 10 GGCDHN COc1ccc(N2CCN(CCCNCc3csc(C4CC4)n3)CC2)cc1 ZINC000113315437 1412291472 /nfs/dbraw/zinc/29/14/72/1412291472.db2.gz KUETZBDQRVVEAW-UHFFFAOYSA-N 0 3 386.565 3.331 20 10 GGCDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(N(C)C)c(F)c3)cc2)C[C@H](C)O1 ZINC000113328397 1412293426 /nfs/dbraw/zinc/29/34/26/1412293426.db2.gz JBVGTJNVXKEECP-CALCHBBNSA-N 0 3 399.510 3.431 20 10 GGCDHN CC(C)NS(=O)(=O)Cc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000113328179 1412293564 /nfs/dbraw/zinc/29/35/64/1412293564.db2.gz SXRIDSUUQCLTCV-UHFFFAOYSA-N 0 3 393.528 3.009 20 10 GGCDHN O=C1[C@H](NCc2cc3c(cc2O)OCO3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960660 1412359825 /nfs/dbraw/zinc/35/98/25/1412359825.db2.gz VHKAYOJEFWYGJB-CQSZACIVSA-N 0 3 394.349 3.035 20 10 GGCDHN CCN(CC)[C@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccsc1 ZINC000114587087 1412467953 /nfs/dbraw/zinc/46/79/53/1412467953.db2.gz AXQCEXZQTNVNFS-QGZVFWFLSA-N 0 3 377.510 3.345 20 10 GGCDHN C[C@H](N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1(C)CC1 ZINC000177253251 1428653775 /nfs/dbraw/zinc/65/37/75/1428653775.db2.gz SRTWMNBJMVJESN-BBWFWOEESA-N 0 3 391.531 3.176 20 10 GGCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1F ZINC000114750575 1412518663 /nfs/dbraw/zinc/51/86/63/1412518663.db2.gz ZANDFWFGNIAIBP-IAGOWNOFSA-N 0 3 385.483 3.018 20 10 GGCDHN C[C@@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598415 1412727105 /nfs/dbraw/zinc/72/71/05/1412727105.db2.gz GJUYQVRRWQITEQ-GCJKJVERSA-N 0 3 379.504 3.369 20 10 GGCDHN C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598414 1412727340 /nfs/dbraw/zinc/72/73/40/1412727340.db2.gz GJUYQVRRWQITEQ-AVRDEDQJSA-N 0 3 379.504 3.369 20 10 GGCDHN COc1ccc([C@@H](CCO)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000120397602 1413809308 /nfs/dbraw/zinc/80/93/08/1413809308.db2.gz LMIUUTNIMYVPSZ-HRAATJIYSA-N 0 3 388.483 3.445 20 10 GGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)Cc1ccccc1 ZINC000121493285 1414148752 /nfs/dbraw/zinc/14/87/52/1414148752.db2.gz BYCKFSGZEZDTQY-INIZCTEOSA-N 0 3 377.282 3.073 20 10 GGCDHN Fc1cc(CN2CCC[C@@H](c3nnc4ccccn43)C2)ccc1N1CCOCC1 ZINC000121776696 1414253728 /nfs/dbraw/zinc/25/37/28/1414253728.db2.gz PYRQRZIUNIKVKX-GOSISDBHSA-N 0 3 395.482 3.085 20 10 GGCDHN Cc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000122014126 1414340334 /nfs/dbraw/zinc/34/03/34/1414340334.db2.gz ASVICCBRRMHNQM-GOSISDBHSA-N 0 3 382.552 3.016 20 10 GGCDHN COc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)ccc1[N+](=O)[O-] ZINC000122249287 1414401430 /nfs/dbraw/zinc/40/14/30/1414401430.db2.gz HMIWFNXRSYBOFC-UHFFFAOYSA-N 0 3 398.463 3.386 20 10 GGCDHN COc1cc(OC)cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000122259322 1414403901 /nfs/dbraw/zinc/40/39/01/1414403901.db2.gz UVWABOGHKRGJAS-UHFFFAOYSA-N 0 3 383.492 3.487 20 10 GGCDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000122286129 1414412128 /nfs/dbraw/zinc/41/21/28/1414412128.db2.gz PLRSTDMOYGXEFW-UHFFFAOYSA-N 0 3 398.463 3.386 20 10 GGCDHN COc1ccc(N2CCC(N[C@H](C)CS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000122307488 1414419103 /nfs/dbraw/zinc/41/91/03/1414419103.db2.gz FZDVPOOENPYFIJ-QGZVFWFLSA-N 0 3 388.533 3.116 20 10 GGCDHN CC(=O)NCc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 ZINC000122311383 1414420760 /nfs/dbraw/zinc/42/07/60/1414420760.db2.gz LWJBPGCLFXPFAD-UHFFFAOYSA-N 0 3 394.519 3.105 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc([S@](C)=O)cc3)c2)CC1 ZINC000122343239 1414428914 /nfs/dbraw/zinc/42/89/14/1414428914.db2.gz PUCSTRJYXJVQEL-HHHXNRCGSA-N 0 3 385.533 3.207 20 10 GGCDHN COCCOc1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000122469040 1414471685 /nfs/dbraw/zinc/47/16/85/1414471685.db2.gz VYQBUPBYQRJQRF-UHFFFAOYSA-N 0 3 397.519 3.495 20 10 GGCDHN COc1cc([C@@H](C)NCc2ccc(N(C)C)cc2C)ccc1S(C)(=O)=O ZINC000122724560 1414548982 /nfs/dbraw/zinc/54/89/82/1414548982.db2.gz AVLLRYDKXNSOOQ-OAHLLOKOSA-N 0 3 376.522 3.324 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc(-c4nc[nH]n4)c3)c2)CC1 ZINC000123194070 1414665272 /nfs/dbraw/zinc/66/52/72/1414665272.db2.gz DIUVTZWQXIIUJU-UHFFFAOYSA-N 0 3 390.491 3.254 20 10 GGCDHN Cc1cc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000123727937 1414816544 /nfs/dbraw/zinc/81/65/44/1414816544.db2.gz WDQQCOOSTMZTQK-ROUUACIJSA-N 0 3 384.524 3.108 20 10 GGCDHN Cc1cc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000123727724 1414816802 /nfs/dbraw/zinc/81/68/02/1414816802.db2.gz WDQQCOOSTMZTQK-QZTJIDSGSA-N 0 3 384.524 3.108 20 10 GGCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1OCC(N)=O ZINC000124085740 1414882747 /nfs/dbraw/zinc/88/27/47/1414882747.db2.gz YOAJCSGNQZHOPX-UHFFFAOYSA-N 0 3 384.476 3.210 20 10 GGCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1OCC(N)=O ZINC000124085740 1414882750 /nfs/dbraw/zinc/88/27/50/1414882750.db2.gz YOAJCSGNQZHOPX-UHFFFAOYSA-N 0 3 384.476 3.210 20 10 GGCDHN CC[C@@H](NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 ZINC000124179810 1414901863 /nfs/dbraw/zinc/90/18/63/1414901863.db2.gz JCYGMIVCHSSBGH-JOCHJYFZSA-N 0 3 397.519 3.093 20 10 GGCDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000124708216 1415026899 /nfs/dbraw/zinc/02/68/99/1415026899.db2.gz GSQYIKPTCIJWAT-XXBNENTESA-N 0 3 390.531 3.383 20 10 GGCDHN C[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177796007 1428860090 /nfs/dbraw/zinc/86/00/90/1428860090.db2.gz QZWSOXGFKXOTDL-WMZOPIPTSA-N 0 3 383.467 3.118 20 10 GGCDHN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177796015 1428860181 /nfs/dbraw/zinc/86/01/81/1428860181.db2.gz QZWSOXGFKXOTDL-AEFFLSMTSA-N 0 3 383.467 3.118 20 10 GGCDHN COc1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000126927234 1415611615 /nfs/dbraw/zinc/61/16/15/1415611615.db2.gz MTUROMHWWSEVNL-UHFFFAOYSA-N 0 3 389.521 3.026 20 10 GGCDHN O=C(CN[C@H](c1ccccc1)C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000128022294 1415894832 /nfs/dbraw/zinc/89/48/32/1415894832.db2.gz OJSXAICTCOUVNQ-HSZRJFAPSA-N 0 3 397.494 3.019 20 10 GGCDHN C[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000133790028 1416964311 /nfs/dbraw/zinc/96/43/11/1416964311.db2.gz JJNKBHLLLPFYME-HOTGVXAUSA-N 0 3 375.538 3.415 20 10 GGCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000178719974 1429151308 /nfs/dbraw/zinc/15/13/08/1429151308.db2.gz AUQDBXITQWRDQL-GOSISDBHSA-N 0 3 397.519 3.468 20 10 GGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000178719974 1429151315 /nfs/dbraw/zinc/15/13/15/1429151315.db2.gz AUQDBXITQWRDQL-GOSISDBHSA-N 0 3 397.519 3.468 20 10 GGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000178719974 1429151320 /nfs/dbraw/zinc/15/13/20/1429151320.db2.gz AUQDBXITQWRDQL-GOSISDBHSA-N 0 3 397.519 3.468 20 10 GGCDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CCN(c2cnccn2)CC1 ZINC000142314645 1417582711 /nfs/dbraw/zinc/58/27/11/1417582711.db2.gz RTDVVFFAESPISK-UHFFFAOYSA-N 0 3 399.292 3.420 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000151535592 1418017187 /nfs/dbraw/zinc/01/71/87/1418017187.db2.gz WACQKNBFCVHMRX-OAHLLOKOSA-N 0 3 386.467 3.409 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000151537968 1418017836 /nfs/dbraw/zinc/01/78/36/1418017836.db2.gz MLDXIWFHIGZZCN-RXAIFQJESA-N 0 3 390.524 3.375 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000151537817 1418018050 /nfs/dbraw/zinc/01/80/50/1418018050.db2.gz MLDXIWFHIGZZCN-YVORESIASA-N 0 3 390.524 3.375 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000151549577 1418021307 /nfs/dbraw/zinc/02/13/07/1418021307.db2.gz TZIPMORDXWVTMZ-MRXNPFEDSA-N 0 3 395.482 3.218 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000151581532 1418031687 /nfs/dbraw/zinc/03/16/87/1418031687.db2.gz RBHMIEXTASDTBH-XGCWNURASA-N 0 3 386.561 3.484 20 10 GGCDHN COc1ccc2c(CN(C)Cc3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000153032314 1422333760 /nfs/dbraw/zinc/33/37/60/1422333760.db2.gz ZDJHTHKZLIRNQP-UHFFFAOYSA-N 0 3 394.471 3.270 20 10 GGCDHN CCCCNC(=O)C1(NCc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000154638713 1422976736 /nfs/dbraw/zinc/97/67/36/1422976736.db2.gz AOOQCJMRSHYAOH-UHFFFAOYSA-N 0 3 391.531 3.371 20 10 GGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000157067392 1423915722 /nfs/dbraw/zinc/91/57/22/1423915722.db2.gz HUZOUBNTISHAOH-MRXNPFEDSA-N 0 3 384.476 3.096 20 10 GGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000157067392 1423915727 /nfs/dbraw/zinc/91/57/27/1423915727.db2.gz HUZOUBNTISHAOH-MRXNPFEDSA-N 0 3 384.476 3.096 20 10 GGCDHN COc1cc(O)c(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1OC ZINC000159719494 1424528384 /nfs/dbraw/zinc/52/83/84/1424528384.db2.gz KLDXGJMNORWREV-UHFFFAOYSA-N 0 3 396.487 3.466 20 10 GGCDHN COc1cc(O)c(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1OC ZINC000160118588 1424576562 /nfs/dbraw/zinc/57/65/62/1424576562.db2.gz KVEJCOKQCTUIMD-UHFFFAOYSA-N 0 3 388.464 3.014 20 10 GGCDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(-c2cccnc2)n1 ZINC000160178779 1424583827 /nfs/dbraw/zinc/58/38/27/1424583827.db2.gz ITLNKKIDUUHYPV-FQEVSTJZSA-N 0 3 378.476 3.369 20 10 GGCDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(-c2cccnc2)n1 ZINC000160178779 1424583836 /nfs/dbraw/zinc/58/38/36/1424583836.db2.gz ITLNKKIDUUHYPV-FQEVSTJZSA-N 0 3 378.476 3.369 20 10 GGCDHN C[C@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000162018630 1424809062 /nfs/dbraw/zinc/80/90/62/1424809062.db2.gz TVRJHWZIFICQPM-IBGZPJMESA-N 0 3 383.536 3.314 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000170900600 1425385913 /nfs/dbraw/zinc/38/59/13/1425385913.db2.gz UGNOYUBHINLYIF-KRWDZBQOSA-N 0 3 397.519 3.422 20 10 GGCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000171379773 1425650927 /nfs/dbraw/zinc/65/09/27/1425650927.db2.gz ZTJDQUDHWHPPRH-QGZVFWFLSA-N 0 3 399.560 3.460 20 10 GGCDHN Cc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000174008100 1426940558 /nfs/dbraw/zinc/94/05/58/1426940558.db2.gz IIQMTMSRRNWXLI-AVRDEDQJSA-N 0 3 379.504 3.288 20 10 GGCDHN COCCN1CCC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000174359730 1427119131 /nfs/dbraw/zinc/11/91/31/1427119131.db2.gz DDCIXPPSCFMZKB-UHFFFAOYSA-N 0 3 389.540 3.347 20 10 GGCDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1[O-] ZINC000174441959 1427157379 /nfs/dbraw/zinc/15/73/79/1427157379.db2.gz NRDWTRCXFLLVOV-QGZVFWFLSA-N 0 3 384.270 3.370 20 10 GGCDHN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)cc1 ZINC000176060686 1428059160 /nfs/dbraw/zinc/05/91/60/1428059160.db2.gz FERSVHJDFQXPNE-UHFFFAOYSA-N 0 3 396.535 3.158 20 10 GGCDHN CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000176183921 1428147407 /nfs/dbraw/zinc/14/74/07/1428147407.db2.gz JMLIMVQIVRTNBW-MRXNPFEDSA-N 0 3 396.491 3.344 20 10 GGCDHN CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000176183921 1428147415 /nfs/dbraw/zinc/14/74/15/1428147415.db2.gz JMLIMVQIVRTNBW-MRXNPFEDSA-N 0 3 396.491 3.344 20 10 GGCDHN COc1cc(CN2CCN(Cc3cccc(C)c3O)CC2)cc(OC)c1OC ZINC000180533265 1429892134 /nfs/dbraw/zinc/89/21/34/1429892134.db2.gz GOXAAPWNCAAXIJ-UHFFFAOYSA-N 0 3 386.492 3.044 20 10 GGCDHN COc1ccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N2CCCC2)cc1 ZINC000180884529 1430088804 /nfs/dbraw/zinc/08/88/04/1430088804.db2.gz FKZBDTUXGPAZJM-RXERPNITSA-N 0 3 382.460 3.073 20 10 GGCDHN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181177053 1430238485 /nfs/dbraw/zinc/23/84/85/1430238485.db2.gz QNPBIYKNFZKUEN-YLJYHZDGSA-N 0 3 381.524 3.257 20 10 GGCDHN C[C@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 ZINC000181345307 1430278362 /nfs/dbraw/zinc/27/83/62/1430278362.db2.gz PTTPRFDAGWRCQH-KURKYZTESA-N 0 3 399.510 3.406 20 10 GGCDHN COCCc1nc(C)c([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000181384617 1430285602 /nfs/dbraw/zinc/28/56/02/1430285602.db2.gz APJDNIAPVBRWPA-CQSZACIVSA-N 0 3 393.528 3.467 20 10 GGCDHN COc1cc(O)c(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1OC ZINC000181467033 1430305823 /nfs/dbraw/zinc/30/58/23/1430305823.db2.gz DCERXVWIJKYCRS-ZDUSSCGKSA-N 0 3 385.386 3.462 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CC(C)C)c1ccccc1)cc2=O ZINC000181794525 1430361956 /nfs/dbraw/zinc/36/19/56/1430361956.db2.gz PVQIKJYHMSEDSO-SFHVURJKSA-N 0 3 382.464 3.489 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](CC(C)C)c1ccccc1)cc2=O ZINC000181794546 1430361983 /nfs/dbraw/zinc/36/19/83/1430361983.db2.gz PVQIKJYHMSEDSO-GOSISDBHSA-N 0 3 382.464 3.489 20 10 GGCDHN C[C@@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000182053353 1430402492 /nfs/dbraw/zinc/40/24/92/1430402492.db2.gz PTTPRFDAGWRCQH-OKZBNKHCSA-N 0 3 399.510 3.406 20 10 GGCDHN COc1ccc(O)c(CNCc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000182206346 1430429923 /nfs/dbraw/zinc/42/99/23/1430429923.db2.gz QSCAUMATCKYINC-UHFFFAOYSA-N 0 3 392.459 3.407 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1 ZINC000182328677 1430449345 /nfs/dbraw/zinc/44/93/45/1430449345.db2.gz UOXBXXHWSQOPGR-MRXNPFEDSA-N 0 3 394.475 3.493 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C)nn2-c2ccccc2F)c1 ZINC000182356461 1430453063 /nfs/dbraw/zinc/45/30/63/1430453063.db2.gz BEHNBUUNWJGHIP-AWEZNQCLSA-N 0 3 398.438 3.323 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1 ZINC000182374647 1430455065 /nfs/dbraw/zinc/45/50/65/1430455065.db2.gz UTLWOCVZKBWMEP-CQSZACIVSA-N 0 3 398.438 3.323 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(N3CCCCC3)nc2)c1 ZINC000182398946 1430460101 /nfs/dbraw/zinc/46/01/01/1430460101.db2.gz GUKVCEVUCBYLNP-OAHLLOKOSA-N 0 3 384.480 3.075 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](c1ccccc1C)C(C)C)cc2=O ZINC000183212040 1430649530 /nfs/dbraw/zinc/64/95/30/1430649530.db2.gz LIZNBCWIFBFCMB-IBGZPJMESA-N 0 3 382.464 3.407 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1ccccc1C)C(C)C)cc2=O ZINC000183212021 1430649685 /nfs/dbraw/zinc/64/96/85/1430649685.db2.gz LIZNBCWIFBFCMB-LJQANCHMSA-N 0 3 382.464 3.407 20 10 GGCDHN COc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)cc1OC ZINC000183386758 1430697763 /nfs/dbraw/zinc/69/77/63/1430697763.db2.gz KJIKXOSDQYIMNM-LPHOPBHVSA-N 0 3 386.492 3.134 20 10 GGCDHN COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC000183598475 1430750712 /nfs/dbraw/zinc/75/07/12/1430750712.db2.gz BXLJWYAOWGEOPB-INIZCTEOSA-N 0 3 398.503 3.425 20 10 GGCDHN Cc1cccc([C@@H](C)NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000183727547 1430782033 /nfs/dbraw/zinc/78/20/33/1430782033.db2.gz RAHWUXLBRRJSEK-GOSISDBHSA-N 0 3 399.510 3.246 20 10 GGCDHN Cc1cccc([C@H](C)NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000183727566 1430782055 /nfs/dbraw/zinc/78/20/55/1430782055.db2.gz RAHWUXLBRRJSEK-SFHVURJKSA-N 0 3 399.510 3.246 20 10 GGCDHN Cc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000184068422 1430836928 /nfs/dbraw/zinc/83/69/28/1430836928.db2.gz HRSGBPIYIWFSNS-IBGZPJMESA-N 0 3 396.579 3.467 20 10 GGCDHN Cc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000184069796 1430837103 /nfs/dbraw/zinc/83/71/03/1430837103.db2.gz YHLIPIXDZYUXRN-GOSISDBHSA-N 0 3 382.552 3.158 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(OCCCOC)c3)c2)CC1 ZINC000184261901 1430864206 /nfs/dbraw/zinc/86/42/06/1430864206.db2.gz YXCPVLDXUXRHQK-UHFFFAOYSA-N 0 3 397.519 3.496 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(N4CCOC4=O)c3)c2)CC1 ZINC000184265973 1430864793 /nfs/dbraw/zinc/86/47/93/1430864793.db2.gz MRPZLOXGXSGKGV-UHFFFAOYSA-N 0 3 394.475 3.037 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OCCCOC)cc3)c2)CC1 ZINC000184271657 1430865831 /nfs/dbraw/zinc/86/58/31/1430865831.db2.gz GCOBSZMWKOEBRD-UHFFFAOYSA-N 0 3 397.519 3.496 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C)c(NC(C)=O)c3)c2)CC1 ZINC000184274208 1430865938 /nfs/dbraw/zinc/86/59/38/1430865938.db2.gz VBYITFYGNIUHGW-UHFFFAOYSA-N 0 3 380.492 3.348 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3-c3nc(C)no3)c2)CC1 ZINC000184275274 1430866321 /nfs/dbraw/zinc/86/63/21/1430866321.db2.gz VAKZRVGKGJNDNI-UHFFFAOYSA-N 0 3 391.475 3.439 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(-n4cccn4)cc3)c2)CC1 ZINC000184285392 1430868249 /nfs/dbraw/zinc/86/82/49/1430868249.db2.gz NHKCNARPEVDYMM-UHFFFAOYSA-N 0 3 375.476 3.267 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(-n4cccn4)c3)c2)CC1 ZINC000184286282 1430868277 /nfs/dbraw/zinc/86/82/77/1430868277.db2.gz KXIIDWOUVOUDMS-UHFFFAOYSA-N 0 3 375.476 3.267 20 10 GGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1[O-] ZINC000184706247 1430947733 /nfs/dbraw/zinc/94/77/33/1430947733.db2.gz KCQQZENRSRCTIO-LBPRGKRZSA-N 0 3 398.912 3.155 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)c2)CC1 ZINC000184929269 1431023856 /nfs/dbraw/zinc/02/38/56/1431023856.db2.gz JBJVLYYJMITXQN-INIZCTEOSA-N 0 3 398.507 3.425 20 10 GGCDHN C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000184964835 1431032088 /nfs/dbraw/zinc/03/20/88/1431032088.db2.gz BDWUULNVFCBEOE-OAHLLOKOSA-N 0 3 388.533 3.372 20 10 GGCDHN C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000184964812 1431032222 /nfs/dbraw/zinc/03/22/22/1431032222.db2.gz BDWUULNVFCBEOE-HNNXBMFYSA-N 0 3 388.533 3.372 20 10 GGCDHN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185133662 1431069091 /nfs/dbraw/zinc/06/90/91/1431069091.db2.gz CTKXLNLIVKPZQD-AWEZNQCLSA-N 0 3 380.485 3.411 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3[S@@](=O)CC)c2)CC1 ZINC000187399822 1431719489 /nfs/dbraw/zinc/71/94/89/1431719489.db2.gz UXVYXYMWXFPKCC-MHZLTWQESA-N 0 3 385.533 3.208 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3-c3nnc(C)o3)c2)CC1 ZINC000187399656 1431719604 /nfs/dbraw/zinc/71/96/04/1431719604.db2.gz WSXSXEQTEIIJEI-UHFFFAOYSA-N 0 3 391.475 3.439 20 10 GGCDHN C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187747824 1431807577 /nfs/dbraw/zinc/80/75/77/1431807577.db2.gz FQMFJPIQDMANNO-AWEZNQCLSA-N 0 3 376.447 3.478 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(NC(C)=O)c3C)c2)CC1 ZINC000189220906 1432065665 /nfs/dbraw/zinc/06/56/65/1432065665.db2.gz BTXYHWCWYISUFI-UHFFFAOYSA-N 0 3 380.492 3.348 20 10 GGCDHN Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190308047 1432357213 /nfs/dbraw/zinc/35/72/13/1432357213.db2.gz HRMDSYYCGDHCJW-UHFFFAOYSA-N 0 3 397.910 3.356 20 10 GGCDHN COc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000190549637 1432404374 /nfs/dbraw/zinc/40/43/74/1432404374.db2.gz HXAHUYALPSVHHV-UHFFFAOYSA-N 0 3 384.524 3.035 20 10 GGCDHN CCN1CCN(c2cccc(NCc3ccc(N4CCOCC4)cc3)c2)CC1 ZINC000191885825 1432747296 /nfs/dbraw/zinc/74/72/96/1432747296.db2.gz ASWXIBGMJUYEEH-UHFFFAOYSA-N 0 3 380.536 3.277 20 10 GGCDHN COc1ccc(N2CCN(C(=O)CN[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000192503799 1432852209 /nfs/dbraw/zinc/85/22/09/1432852209.db2.gz NAWNVXFZPNDJAT-HSZRJFAPSA-N 0 3 379.504 3.085 20 10 GGCDHN CC(=O)c1cc(F)cc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1O ZINC000193497018 1433009234 /nfs/dbraw/zinc/00/92/34/1433009234.db2.gz MLKPGXURXTZWRY-GASCZTMLSA-N 0 3 378.444 3.033 20 10 GGCDHN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000194261024 1433151127 /nfs/dbraw/zinc/15/11/27/1433151127.db2.gz MKKPQAMPFUKHEZ-MSOLQXFVSA-N 0 3 398.389 3.467 20 10 GGCDHN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000194261036 1433151202 /nfs/dbraw/zinc/15/12/02/1433151202.db2.gz MKKPQAMPFUKHEZ-ZWKOTPCHSA-N 0 3 398.389 3.467 20 10 GGCDHN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000194261009 1433151235 /nfs/dbraw/zinc/15/12/35/1433151235.db2.gz MKKPQAMPFUKHEZ-ROUUACIJSA-N 0 3 398.389 3.467 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COCc1cccs1)C[C@H]1CCCO1 ZINC000255218442 1433878583 /nfs/dbraw/zinc/87/85/83/1433878583.db2.gz GXLNZEBQNAHWHR-QZTJIDSGSA-N 0 3 377.506 3.012 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COCc1cccs1)C[C@H]1CCCO1 ZINC000255218442 1433878584 /nfs/dbraw/zinc/87/85/84/1433878584.db2.gz GXLNZEBQNAHWHR-QZTJIDSGSA-N 0 3 377.506 3.012 20 10 GGCDHN CCOc1cc(C[NH2+]Cc2ccccc2[O-])ccc1OCC(=O)N1CCCCC1 ZINC000263735261 1434026764 /nfs/dbraw/zinc/02/67/64/1434026764.db2.gz ZAZPOMXYJNKNHU-UHFFFAOYSA-N 0 3 398.503 3.472 20 10 GGCDHN CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000268805168 1434559266 /nfs/dbraw/zinc/55/92/66/1434559266.db2.gz FPPDWRVNXVMWNO-GOSISDBHSA-N 0 3 380.536 3.272 20 10 GGCDHN C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H](N)c3ccccc3)cc2F)C[C@H](C)O1 ZINC000269487622 1434652835 /nfs/dbraw/zinc/65/28/35/1434652835.db2.gz IBZNLECJSOBBSS-GQIGUUNPSA-N 0 3 385.483 3.146 20 10 GGCDHN C[C@@H]1CN(c2ccc(CNC(=O)C[C@H](N)c3ccccc3)cc2F)C[C@@H](C)O1 ZINC000269487627 1434652997 /nfs/dbraw/zinc/65/29/97/1434652997.db2.gz IBZNLECJSOBBSS-QINHECLXSA-N 0 3 385.483 3.146 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271686243 1434844103 /nfs/dbraw/zinc/84/41/03/1434844103.db2.gz JXXKRBQOGDMYJS-QGZVFWFLSA-N 0 3 387.549 3.421 20 10 GGCDHN COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000273502027 1434992975 /nfs/dbraw/zinc/99/29/75/1434992975.db2.gz QGPUWKWBRZOLGV-HNNXBMFYSA-N 0 3 398.507 3.277 20 10 GGCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000273623288 1435000291 /nfs/dbraw/zinc/00/02/91/1435000291.db2.gz ZUNVUUHYBDUGHH-KGLIPLIRSA-N 0 3 378.494 3.063 20 10 GGCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000273623297 1435000380 /nfs/dbraw/zinc/00/03/80/1435000380.db2.gz ZUNVUUHYBDUGHH-ZIAGYGMSSA-N 0 3 378.494 3.063 20 10 GGCDHN COC(=O)c1cn(C2CC[NH+](Cc3cc(-c4ccccc4)ccc3[O-])CC2)nn1 ZINC000273786508 1435014247 /nfs/dbraw/zinc/01/42/47/1435014247.db2.gz ULIWYCBKTDELAB-UHFFFAOYSA-N 0 3 392.459 3.274 20 10 GGCDHN CS(=O)(=O)CCCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000274944749 1435105115 /nfs/dbraw/zinc/10/51/15/1435105115.db2.gz RDWMIDRLGVOENK-UHFFFAOYSA-N 0 3 377.506 3.276 20 10 GGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000275651065 1435156536 /nfs/dbraw/zinc/15/65/36/1435156536.db2.gz DRVIJLSPQVEBRT-UHFFFAOYSA-N 0 3 396.535 3.190 20 10 GGCDHN CC[C@@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(C)cc1[O-] ZINC000280132155 1435597489 /nfs/dbraw/zinc/59/74/89/1435597489.db2.gz OZSIGPVTWIWLEV-GOSISDBHSA-N 0 3 386.492 3.417 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc4nccnc4cc3F)c2)CC1 ZINC000280205549 1435608106 /nfs/dbraw/zinc/60/81/06/1435608106.db2.gz ZSCQQWALMJPGKK-UHFFFAOYSA-N 0 3 379.439 3.163 20 10 GGCDHN COc1ccccc1-n1nccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000281634755 1435816551 /nfs/dbraw/zinc/81/65/51/1435816551.db2.gz LZBNCQWAAQXDPM-UHFFFAOYSA-N 0 3 378.476 3.007 20 10 GGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1[O-] ZINC000283024855 1435870981 /nfs/dbraw/zinc/87/09/81/1435870981.db2.gz MOYLCNLDKDWDKW-MRXNPFEDSA-N 0 3 375.856 3.450 20 10 GGCDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000283570822 1435896051 /nfs/dbraw/zinc/89/60/51/1435896051.db2.gz JLJNAXGSCPKOSO-UHFFFAOYSA-N 0 3 383.492 3.221 20 10 GGCDHN COc1ccc(N2CCCN(C[C@H](O)COc3cc(C)cc(C)c3)CC2)cc1 ZINC000084085951 208087368 /nfs/dbraw/zinc/08/73/68/208087368.db2.gz NOZKQOIPJFVTCX-NRFANRHFSA-N 0 3 384.520 3.264 20 10 GGCDHN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000083947485 136174703 /nfs/dbraw/zinc/17/47/03/136174703.db2.gz VPCYOBFJJVVVLK-QFIPXVFZSA-N 0 3 379.504 3.008 20 10 GGCDHN COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccccc2[O-])c1 ZINC000068981816 564830578 /nfs/dbraw/zinc/83/05/78/564830578.db2.gz AKEPYIIGPOMUPU-UHFFFAOYSA-N 0 3 393.281 3.073 20 10 GGCDHN COc1cc(Br)cc(CN(C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000093863768 564891554 /nfs/dbraw/zinc/89/15/54/564891554.db2.gz FUBMTIRXNSYKQR-CQSZACIVSA-N 0 3 380.286 3.406 20 10 GGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000151375907 564916964 /nfs/dbraw/zinc/91/69/64/564916964.db2.gz WQSUJYWJMNGJLB-CZUORRHYSA-N 0 3 388.327 3.308 20 10 GGCDHN CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(Br)ccc1[O-] ZINC000155122793 565062175 /nfs/dbraw/zinc/06/21/75/565062175.db2.gz MVWJCJVAKHHUOU-QGZVFWFLSA-N 0 3 384.362 3.223 20 10 GGCDHN CC(C)[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1[O-])N1CCN(C)CC1 ZINC000184976824 565169706 /nfs/dbraw/zinc/16/97/06/565169706.db2.gz YDOLXOIGSSKZCO-RHSMWYFYSA-N 0 3 384.362 3.077 20 10 GGCDHN COc1cc(O)c(CN2CCC(n3cc(Br)cn3)CC2)cc1OC ZINC000371365333 565190096 /nfs/dbraw/zinc/19/00/96/565190096.db2.gz DIAMNTOXUSAINX-UHFFFAOYSA-N 0 3 396.285 3.206 20 10 GGCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185344799 565196841 /nfs/dbraw/zinc/19/68/41/565196841.db2.gz QDYDOCDPTIECFU-LSDHHAIUSA-N 0 3 384.362 3.079 20 10 GGCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185345687 565197346 /nfs/dbraw/zinc/19/73/46/565197346.db2.gz JFRRSVCXTWBHCJ-LSDHHAIUSA-N 0 3 384.362 3.079 20 10 GGCDHN C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Br)cc1[O-] ZINC000185492575 565205774 /nfs/dbraw/zinc/20/57/74/565205774.db2.gz JFEZKPHRVRDLBK-UONOGXRCSA-N 0 3 383.330 3.306 20 10 GGCDHN Cc1cc(Br)cc(CN2CCC(OC[C@H]3CCOC3)CC2)c1O ZINC000371796685 565210773 /nfs/dbraw/zinc/21/07/73/565210773.db2.gz RINFWIOYKJRWKA-AWEZNQCLSA-N 0 3 384.314 3.481 20 10 GGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000271869446 565271489 /nfs/dbraw/zinc/27/14/89/565271489.db2.gz XGIKGZCGAVQYFP-SJORKVTESA-N 0 3 380.282 3.037 20 10 GGCDHN CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)ccc1[O-] ZINC000373459116 565285974 /nfs/dbraw/zinc/28/59/74/565285974.db2.gz DDHXQCZJDDMBPF-YJBOKZPZSA-N 0 3 396.373 3.364 20 10 GGCDHN CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)ccc1[O-] ZINC000373459114 565286979 /nfs/dbraw/zinc/28/69/79/565286979.db2.gz DDHXQCZJDDMBPF-MAUKXSAKSA-N 0 3 396.373 3.364 20 10 GGCDHN COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000187377684 565328138 /nfs/dbraw/zinc/32/81/38/565328138.db2.gz WHDGOEXHKSYUAE-ZDUSSCGKSA-N 0 3 399.329 3.141 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297409853 565371258 /nfs/dbraw/zinc/37/12/58/565371258.db2.gz GWIRUTJXFMJJQH-MQVJKMGUSA-N 0 3 396.329 3.311 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297409853 565371263 /nfs/dbraw/zinc/37/12/63/565371263.db2.gz GWIRUTJXFMJJQH-MQVJKMGUSA-N 0 3 396.329 3.311 20 10 GGCDHN C[C@@H](O)c1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000377616138 565490461 /nfs/dbraw/zinc/49/04/61/565490461.db2.gz OOWKCRJGXCAANX-DOMZBBRYSA-N 0 3 381.929 3.310 20 10 GGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378440226 565527337 /nfs/dbraw/zinc/52/73/37/565527337.db2.gz AMCLPIROGLCEET-DLBZAZTESA-N 0 3 394.313 3.285 20 10 GGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378440226 565527340 /nfs/dbraw/zinc/52/73/40/565527340.db2.gz AMCLPIROGLCEET-DLBZAZTESA-N 0 3 394.313 3.285 20 10 GGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180070513 566030537 /nfs/dbraw/zinc/03/05/37/566030537.db2.gz DGSDAPODYBOYHF-CYBMUJFWSA-N 0 3 391.313 3.380 20 10 GGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180070513 566030543 /nfs/dbraw/zinc/03/05/43/566030543.db2.gz DGSDAPODYBOYHF-CYBMUJFWSA-N 0 3 391.313 3.380 20 10 GGCDHN COc1cc(CNCc2cc3c(cc2O)OCO3)cc(Br)c1OC ZINC000264411971 566214825 /nfs/dbraw/zinc/21/48/25/566214825.db2.gz ZWSHXJQUTJPJHN-UHFFFAOYSA-N 0 3 396.237 3.190 20 10 GGCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000012596108 570884425 /nfs/dbraw/zinc/88/44/25/570884425.db2.gz ZXXJYUVDCNQIKG-QFIPXVFZSA-N 0 3 379.504 3.181 20 10 GGCDHN COc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000821818418 599420574 /nfs/dbraw/zinc/42/05/74/599420574.db2.gz PXWYVELNBJNLAQ-UHFFFAOYSA-N 0 3 378.480 3.155 20 10 GGCDHN COc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000821818418 599420577 /nfs/dbraw/zinc/42/05/77/599420577.db2.gz PXWYVELNBJNLAQ-UHFFFAOYSA-N 0 3 378.480 3.155 20 10 GGCDHN COc1cc(O)c(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1OC ZINC000826180968 608546566 /nfs/dbraw/zinc/54/65/66/608546566.db2.gz GDBJWICZVNIWLC-UHFFFAOYSA-N 0 3 397.479 3.248 20 10 GGCDHN COc1cc(O)c(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1OC ZINC000826180968 608546567 /nfs/dbraw/zinc/54/65/67/608546567.db2.gz GDBJWICZVNIWLC-UHFFFAOYSA-N 0 3 397.479 3.248 20 10 GGCDHN COc1cc(O)c(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1OC ZINC000826180968 608546568 /nfs/dbraw/zinc/54/65/68/608546568.db2.gz GDBJWICZVNIWLC-UHFFFAOYSA-N 0 3 397.479 3.248 20 10 GGCDHN COc1cc(O)c(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1OC ZINC000826180968 608546569 /nfs/dbraw/zinc/54/65/69/608546569.db2.gz GDBJWICZVNIWLC-UHFFFAOYSA-N 0 3 397.479 3.248 20 10 GGCDHN COc1ccc(N2CCC([NH2+]C3(c4cccc(-c5nnn[n-]5)c4)CC3)CC2)cc1 ZINC000826209032 609250513 /nfs/dbraw/zinc/25/05/13/609250513.db2.gz KAKWYINANGFIGR-UHFFFAOYSA-N 0 3 390.491 3.123 20 10 GGCDHN COc1ccc(N2CCC([NH2+]C3(c4cccc(-c5nn[n-]n5)c4)CC3)CC2)cc1 ZINC000826209032 609250515 /nfs/dbraw/zinc/25/05/15/609250515.db2.gz KAKWYINANGFIGR-UHFFFAOYSA-N 0 3 390.491 3.123 20 10 GGCDHN CN(CCNC(=O)NCc1ccc(N2CCSCC2)cc1)Cc1ccccc1 ZINC000054764370 1406820919 /nfs/dbraw/zinc/82/09/19/1406820919.db2.gz OOFNBKMPVUIAKK-UHFFFAOYSA-N 0 3 398.576 3.171 20 10 GGCDHN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000022946011 1399519247 /nfs/dbraw/zinc/51/92/47/1399519247.db2.gz GWTJHNCDWMJCHV-OALUTQOASA-N 0 3 395.547 3.168 20 10 GGCDHN C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C1 ZINC000022946011 1399519253 /nfs/dbraw/zinc/51/92/53/1399519253.db2.gz GWTJHNCDWMJCHV-OALUTQOASA-N 0 3 395.547 3.168 20 10 GGCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3Cc3ccccc3)CC2)cc1 ZINC000025359892 1399802731 /nfs/dbraw/zinc/80/27/31/1399802731.db2.gz IQTNDMDIGWUCJJ-QFIPXVFZSA-N 0 3 393.531 3.051 20 10 GGCDHN Cc1cc(C(=O)NC2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)no1 ZINC000052084269 1405931324 /nfs/dbraw/zinc/93/13/24/1405931324.db2.gz XZWJYIQKFFZSBQ-UHFFFAOYSA-N 0 3 387.480 3.086 20 10 GGCDHN O=S(=O)(c1ccccc1)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000057104620 1407521074 /nfs/dbraw/zinc/52/10/74/1407521074.db2.gz PNIQOSSALLTXGJ-UHFFFAOYSA-N 0 3 396.512 3.442 20 10 GGCDHN O=S(=O)(c1ccccc1)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000057104620 1407521080 /nfs/dbraw/zinc/52/10/80/1407521080.db2.gz PNIQOSSALLTXGJ-UHFFFAOYSA-N 0 3 396.512 3.442 20 10 GGCDHN Cc1c([O-])ccc2c(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc12 ZINC000065278417 1408659444 /nfs/dbraw/zinc/65/94/44/1408659444.db2.gz NQLMDQIIWGSZMU-INIZCTEOSA-N 0 3 394.471 3.494 20 10 GGCDHN C[C@H]1CN(C(=O)c2ccc(CNCc3ccc4c(c3)CCO4)cc2)C[C@H](C)O1 ZINC000067979149 1409269164 /nfs/dbraw/zinc/26/91/64/1409269164.db2.gz WHJFPKYCEJGVBC-IRXDYDNUSA-N 0 3 380.488 3.161 20 10 GGCDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000076297056 1409887155 /nfs/dbraw/zinc/88/71/55/1409887155.db2.gz GZLMVTXVZBAPQR-IBGZPJMESA-N 0 3 382.552 3.158 20 10 GGCDHN CCN1CCN([C@H](C)CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000076297060 1409887338 /nfs/dbraw/zinc/88/73/38/1409887338.db2.gz GZLMVTXVZBAPQR-LJQANCHMSA-N 0 3 382.552 3.158 20 10 GGCDHN COCCCNC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000092361935 1410143617 /nfs/dbraw/zinc/14/36/17/1410143617.db2.gz YIYZEKAHWGEJPU-UHFFFAOYSA-N 0 3 382.504 3.424 20 10 GGCDHN CCN(CC)c1ccc(CN2CCC(C(=O)NCCCOC)CC2)cc1F ZINC000092361950 1410144168 /nfs/dbraw/zinc/14/41/68/1410144168.db2.gz INQJCUIZACIJMN-UHFFFAOYSA-N 0 3 379.520 3.037 20 10 GGCDHN CCC[N@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)Cc1ccccc1[O-] ZINC000092704977 1410191405 /nfs/dbraw/zinc/19/14/05/1410191405.db2.gz XSIQVBJSLYCEKM-UHFFFAOYSA-N 0 3 392.883 3.331 20 10 GGCDHN CCC[N@@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)Cc1ccccc1[O-] ZINC000092704977 1410191412 /nfs/dbraw/zinc/19/14/12/1410191412.db2.gz XSIQVBJSLYCEKM-UHFFFAOYSA-N 0 3 392.883 3.331 20 10 GGCDHN COCCc1nc(C)c([C@H](C)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000092740485 1410197475 /nfs/dbraw/zinc/19/74/75/1410197475.db2.gz MQFHVEWLLVSFEY-HNNXBMFYSA-N 0 3 375.538 3.328 20 10 GGCDHN CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093281496 1410230235 /nfs/dbraw/zinc/23/02/35/1410230235.db2.gz NGACRSVPVNMSLF-GOSISDBHSA-N 0 3 391.531 3.037 20 10 GGCDHN CCN1CCN(C[C@@H](C)CNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000104191658 1410886487 /nfs/dbraw/zinc/88/64/87/1410886487.db2.gz GMESQAAJYRPOJL-INIZCTEOSA-N 0 3 388.581 3.159 20 10 GGCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000104254006 1410888835 /nfs/dbraw/zinc/88/88/35/1410888835.db2.gz SMRHDGFLRVWSDC-UHFFFAOYSA-N 0 3 382.552 3.160 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](c1ccccc1)C1CCC1)cc2=O ZINC000104696748 1410931675 /nfs/dbraw/zinc/93/16/75/1410931675.db2.gz NNQWIHPYMZRPKS-LJQANCHMSA-N 0 3 380.448 3.243 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1ccccc1)C1CCC1)cc2=O ZINC000104696744 1410932436 /nfs/dbraw/zinc/93/24/36/1410932436.db2.gz NNQWIHPYMZRPKS-IBGZPJMESA-N 0 3 380.448 3.243 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1ccccc1)C(C)(C)C)cc2=O ZINC000108855231 1411626856 /nfs/dbraw/zinc/62/68/56/1411626856.db2.gz AHZRPRQMFAOXGH-SFHVURJKSA-N 0 3 382.464 3.489 20 10 GGCDHN C[C@@H](N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000109347504 1411746162 /nfs/dbraw/zinc/74/61/62/1411746162.db2.gz BFDGADZNQKJHAZ-MSOLQXFVSA-N 0 3 399.510 3.360 20 10 GGCDHN CCCN1CCCC[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000109444060 1411765043 /nfs/dbraw/zinc/76/50/43/1411765043.db2.gz GMQCSRARAYFFTE-FVJLSDCUSA-N 0 3 391.531 3.320 20 10 GGCDHN CN(C)c1ccc(CN(C)C(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000109933700 1411819252 /nfs/dbraw/zinc/81/92/52/1411819252.db2.gz ZVKMXQRZCFLTQI-UHFFFAOYSA-N 0 3 394.563 3.313 20 10 GGCDHN COc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000111232930 1411896912 /nfs/dbraw/zinc/89/69/12/1411896912.db2.gz MMAVYAHORNFXAL-HXUWFJFHSA-N 0 3 384.476 3.411 20 10 GGCDHN COc1ccc(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000111232930 1411896913 /nfs/dbraw/zinc/89/69/13/1411896913.db2.gz MMAVYAHORNFXAL-HXUWFJFHSA-N 0 3 384.476 3.411 20 10 GGCDHN Cc1nc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000112536809 1412165230 /nfs/dbraw/zinc/16/52/30/1412165230.db2.gz FASZXKSCTLHDNK-GJZGRUSLSA-N 0 3 388.537 3.274 20 10 GGCDHN CCN1CCN(CCNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 ZINC000112918193 1412239143 /nfs/dbraw/zinc/23/91/43/1412239143.db2.gz GWAMYAKJJGMSMY-UHFFFAOYSA-N 0 3 388.943 3.115 20 10 GGCDHN CCN1CCN(CCNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000112918394 1412240101 /nfs/dbraw/zinc/24/01/01/1412240101.db2.gz URWUEIWURZEAMA-UHFFFAOYSA-N 0 3 388.943 3.115 20 10 GGCDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000112922891 1412242103 /nfs/dbraw/zinc/24/21/03/1412242103.db2.gz NJDUAYVICPKNOY-SFHVURJKSA-N 0 3 382.552 3.098 20 10 GGCDHN C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(N(C)C)c(F)c3)cc2)C[C@H](C)O1 ZINC000113328399 1412293533 /nfs/dbraw/zinc/29/35/33/1412293533.db2.gz JBVGTJNVXKEECP-IRXDYDNUSA-N 0 3 399.510 3.431 20 10 GGCDHN CNC(=O)c1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000113359220 1412297918 /nfs/dbraw/zinc/29/79/18/1412297918.db2.gz VJVBUWQIHNOIBU-IBGZPJMESA-N 0 3 387.911 3.159 20 10 GGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000113359284 1412298103 /nfs/dbraw/zinc/29/81/03/1412298103.db2.gz SLHIPRIMYZRMII-MRXNPFEDSA-N 0 3 390.867 3.234 20 10 GGCDHN CNC(=O)c1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000113359219 1412298468 /nfs/dbraw/zinc/29/84/68/1412298468.db2.gz VJVBUWQIHNOIBU-LJQANCHMSA-N 0 3 387.911 3.159 20 10 GGCDHN COc1cccc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000113960567 1412359616 /nfs/dbraw/zinc/35/96/16/1412359616.db2.gz OFZXWGIMKOGHPX-HNNXBMFYSA-N 0 3 380.366 3.315 20 10 GGCDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598412 1412726899 /nfs/dbraw/zinc/72/68/99/1412726899.db2.gz GJUYQVRRWQITEQ-XMSQKQJNSA-N 0 3 379.504 3.369 20 10 GGCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000115855088 1412802870 /nfs/dbraw/zinc/80/28/70/1412802870.db2.gz GXXKMGLHYLFXGB-UHFFFAOYSA-N 0 3 386.515 3.474 20 10 GGCDHN Cc1cc(N(C)C)ccc1CNCc1ccccc1OCC(=O)NCC1CC1 ZINC000116344894 1412851591 /nfs/dbraw/zinc/85/15/91/1412851591.db2.gz DVMNUQFYDIAPBQ-UHFFFAOYSA-N 0 3 381.520 3.256 20 10 GGCDHN CCN(C)c1ccc([C@H](C)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 ZINC000119054871 1413319150 /nfs/dbraw/zinc/31/91/50/1413319150.db2.gz GOQXLEVHNGKOCT-KRWDZBQOSA-N 0 3 395.551 3.090 20 10 GGCDHN C[C@H](c1ccccc1)[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000119275671 1413397011 /nfs/dbraw/zinc/39/70/11/1413397011.db2.gz FTKWJPOMZLYYSK-MRXNPFEDSA-N 0 3 381.476 3.286 20 10 GGCDHN C[C@H](c1ccccc1)[N@@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000119275671 1413397015 /nfs/dbraw/zinc/39/70/15/1413397015.db2.gz FTKWJPOMZLYYSK-MRXNPFEDSA-N 0 3 381.476 3.286 20 10 GGCDHN COc1ccc([C@H](CCO)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000120397488 1413809262 /nfs/dbraw/zinc/80/92/62/1413809262.db2.gz LMIUUTNIMYVPSZ-IERDGZPVSA-N 0 3 388.483 3.445 20 10 GGCDHN COc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc(OC)c1OC ZINC000121319295 1414082071 /nfs/dbraw/zinc/08/20/71/1414082071.db2.gz DIOLXCZJWLCIPO-UHFFFAOYSA-N 0 3 386.492 3.181 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc4c3OCCO4)c2)CC1 ZINC000122247876 1414400463 /nfs/dbraw/zinc/40/04/63/1414400463.db2.gz GCECMQFMVCDXSF-UHFFFAOYSA-N 0 3 381.476 3.241 20 10 GGCDHN CC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 ZINC000122277666 1414409326 /nfs/dbraw/zinc/40/93/26/1414409326.db2.gz BJJKVJXQHLTPBX-UHFFFAOYSA-N 0 3 380.492 3.428 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc([S@@](C)=O)cc3)c2)CC1 ZINC000122343497 1414429027 /nfs/dbraw/zinc/42/90/27/1414429027.db2.gz PUCSTRJYXJVQEL-MHZLTWQESA-N 0 3 385.533 3.207 20 10 GGCDHN COc1ccc(N2CCN(C(=O)Nc3cccc(CN(C)C)c3)CC2)cc1F ZINC000177641448 1428820024 /nfs/dbraw/zinc/82/00/24/1428820024.db2.gz ZAYFJHCMJCVHMK-UHFFFAOYSA-N 0 3 386.471 3.250 20 10 GGCDHN COc1cc([C@@H](C)NCc2ccc3c(c2)CCCN3C)ccc1S(C)(=O)=O ZINC000122932405 1414600343 /nfs/dbraw/zinc/60/03/43/1414600343.db2.gz SRFKGMCOGIAGKM-OAHLLOKOSA-N 0 3 388.533 3.332 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)cc4nc[nH]c43)c2)CC1 ZINC000123344101 1414701693 /nfs/dbraw/zinc/70/16/93/1414701693.db2.gz LZKWJKYLGSLIQD-UHFFFAOYSA-N 0 3 381.455 3.485 20 10 GGCDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000124359392 1414948943 /nfs/dbraw/zinc/94/89/43/1414948943.db2.gz XFQZTNHLKIGTII-SFHVURJKSA-N 0 3 399.457 3.033 20 10 GGCDHN O=C(CN1CCN(Cc2c(O)ccc3ccccc32)CC1)Nc1ccccc1F ZINC000124402180 1414958690 /nfs/dbraw/zinc/95/86/90/1414958690.db2.gz HCRQYBKNVFSKKP-UHFFFAOYSA-N 0 3 393.462 3.441 20 10 GGCDHN O=C(CN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)Nc1ccccc1F ZINC000124402180 1414958696 /nfs/dbraw/zinc/95/86/96/1414958696.db2.gz HCRQYBKNVFSKKP-UHFFFAOYSA-N 0 3 393.462 3.441 20 10 GGCDHN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177795984 1428860079 /nfs/dbraw/zinc/86/00/79/1428860079.db2.gz QZWSOXGFKXOTDL-FUHWJXTLSA-N 0 3 383.467 3.118 20 10 GGCDHN Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000126495145 1415470031 /nfs/dbraw/zinc/47/00/31/1415470031.db2.gz UBYDQEMAOMDGEI-INIZCTEOSA-N 0 3 395.482 3.402 20 10 GGCDHN O=C(CN[C@@H](c1ccccc1)C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000128022101 1415894978 /nfs/dbraw/zinc/89/49/78/1415894978.db2.gz OJSXAICTCOUVNQ-QHCPKHFHSA-N 0 3 397.494 3.019 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000128423623 1415983754 /nfs/dbraw/zinc/98/37/54/1415983754.db2.gz YWPRSGNLNSXVDY-OALUTQOASA-N 0 3 396.487 3.294 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000128423623 1415983761 /nfs/dbraw/zinc/98/37/61/1415983761.db2.gz YWPRSGNLNSXVDY-OALUTQOASA-N 0 3 396.487 3.294 20 10 GGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000129924523 1416285472 /nfs/dbraw/zinc/28/54/72/1416285472.db2.gz XLKDSRZVRVSCLO-SWLSCSKDSA-N 0 3 396.329 3.311 20 10 GGCDHN CCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O ZINC000130726538 1416435553 /nfs/dbraw/zinc/43/55/53/1416435553.db2.gz LPYDQDZEFVGKJW-UHFFFAOYSA-N 0 3 383.492 3.080 20 10 GGCDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000130731816 1416437132 /nfs/dbraw/zinc/43/71/32/1416437132.db2.gz IHZMWXPYBKXDDP-UHFFFAOYSA-N 0 3 397.475 3.475 20 10 GGCDHN C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000131030911 1416498557 /nfs/dbraw/zinc/49/85/57/1416498557.db2.gz LTGKFXGNWLPRKH-AUSIDOKSSA-N 0 3 393.531 3.365 20 10 GGCDHN CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000131938569 1416655590 /nfs/dbraw/zinc/65/55/90/1416655590.db2.gz QMULIKYJYNUFDR-QGZVFWFLSA-N 0 3 387.549 3.436 20 10 GGCDHN C[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000132852037 1416823338 /nfs/dbraw/zinc/82/33/38/1416823338.db2.gz XSENSINVIIWQEK-AWEZNQCLSA-N 0 3 383.920 3.352 20 10 GGCDHN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178666129 1429132406 /nfs/dbraw/zinc/13/24/06/1429132406.db2.gz MIWFYIPMKXRKLL-IAGOWNOFSA-N 0 3 388.533 3.339 20 10 GGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133827232 1416970936 /nfs/dbraw/zinc/97/09/36/1416970936.db2.gz NAGSHNXHLDCNTG-INIZCTEOSA-N 0 3 375.538 3.244 20 10 GGCDHN C[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178743856 1429159195 /nfs/dbraw/zinc/15/91/95/1429159195.db2.gz SOYIHGWDMYGJEP-MRXNPFEDSA-N 0 3 381.455 3.094 20 10 GGCDHN COc1ccc(N2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)cc1 ZINC000139248802 1417453954 /nfs/dbraw/zinc/45/39/54/1417453954.db2.gz AOLDWLQICCXHBJ-UHFFFAOYSA-N 0 3 379.504 3.253 20 10 GGCDHN Fc1cc(CNCc2ccsc2)ccc1N1CCN(c2ncccn2)CC1 ZINC000139818144 1417476052 /nfs/dbraw/zinc/47/60/52/1417476052.db2.gz RXKANSBINFSEEZ-UHFFFAOYSA-N 0 3 383.496 3.294 20 10 GGCDHN Fc1cccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 ZINC000139821137 1417476130 /nfs/dbraw/zinc/47/61/30/1417476130.db2.gz IZSKGEDUDYGARL-UHFFFAOYSA-N 0 3 395.457 3.371 20 10 GGCDHN CCS(=O)(=O)NCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179644257 1429486387 /nfs/dbraw/zinc/48/63/87/1429486387.db2.gz URBDENWEWPZCQT-KRWDZBQOSA-N 0 3 376.522 3.285 20 10 GGCDHN CCS(=O)(=O)NCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179644257 1429486390 /nfs/dbraw/zinc/48/63/90/1429486390.db2.gz URBDENWEWPZCQT-KRWDZBQOSA-N 0 3 376.522 3.285 20 10 GGCDHN Cc1c([O-])ccc2c(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)cc(=O)oc12 ZINC000153208800 1422393934 /nfs/dbraw/zinc/39/39/34/1422393934.db2.gz RWYKRIDDWFMPDB-UHFFFAOYSA-N 0 3 394.471 3.276 20 10 GGCDHN Cc1c([O-])ccc2c(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)cc(=O)oc12 ZINC000153208800 1422393940 /nfs/dbraw/zinc/39/39/40/1422393940.db2.gz RWYKRIDDWFMPDB-UHFFFAOYSA-N 0 3 394.471 3.276 20 10 GGCDHN COc1cccc(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O ZINC000154339171 1422874996 /nfs/dbraw/zinc/87/49/96/1422874996.db2.gz ZJFOHZKGKVTEAH-RTBURBONSA-N 0 3 376.884 3.216 20 10 GGCDHN CC[C@@H]([NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccccc1[O-] ZINC000155232557 1423262280 /nfs/dbraw/zinc/26/22/80/1423262280.db2.gz ZSFLDCGDURDIQH-OAQYLSRUSA-N 0 3 397.519 3.294 20 10 GGCDHN CCNC(=O)c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000156492815 1423818115 /nfs/dbraw/zinc/81/81/15/1423818115.db2.gz LZMCEONHEIFUOY-MRXNPFEDSA-N 0 3 385.483 3.263 20 10 GGCDHN CC[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000156614734 1423835957 /nfs/dbraw/zinc/83/59/57/1423835957.db2.gz GNVMETUSLJWOQY-FQEVSTJZSA-N 0 3 388.533 3.427 20 10 GGCDHN CN1CCN(c2ncc(C[N@H+](Cc3ccccc3[O-])C3CCCCC3)cn2)CC1 ZINC000156780690 1423863452 /nfs/dbraw/zinc/86/34/52/1423863452.db2.gz FSLVEOZQNZEJNU-UHFFFAOYSA-N 0 3 395.551 3.269 20 10 GGCDHN CN1CCN(c2ncc(C[N@@H+](Cc3ccccc3[O-])C3CCCCC3)cn2)CC1 ZINC000156780690 1423863456 /nfs/dbraw/zinc/86/34/56/1423863456.db2.gz FSLVEOZQNZEJNU-UHFFFAOYSA-N 0 3 395.551 3.269 20 10 GGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000157067246 1423916303 /nfs/dbraw/zinc/91/63/03/1423916303.db2.gz HUZOUBNTISHAOH-INIZCTEOSA-N 0 3 384.476 3.096 20 10 GGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000157067246 1423916308 /nfs/dbraw/zinc/91/63/08/1423916308.db2.gz HUZOUBNTISHAOH-INIZCTEOSA-N 0 3 384.476 3.096 20 10 GGCDHN CC(C)N(CCN(C)C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000158360556 1424236061 /nfs/dbraw/zinc/23/60/61/1424236061.db2.gz NGNGQRPNZCEFOM-UHFFFAOYSA-N 0 3 398.498 3.238 20 10 GGCDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cc(F)ccc3O)C2)cc1 ZINC000180057590 1429717717 /nfs/dbraw/zinc/71/77/17/1429717717.db2.gz NTQGKEYUSLOBIU-INIZCTEOSA-N 0 3 392.496 3.030 20 10 GGCDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000159274231 1424468624 /nfs/dbraw/zinc/46/86/24/1424468624.db2.gz PHSNIXKRGJRIOC-INIZCTEOSA-N 0 3 398.498 3.238 20 10 GGCDHN CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2cc(F)ccc2[O-])C(C)C)cc1 ZINC000180089694 1429732224 /nfs/dbraw/zinc/73/22/24/1429732224.db2.gz FRKZCEYXVWINAU-IBGZPJMESA-N 0 3 390.455 3.140 20 10 GGCDHN CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2cc(F)ccc2[O-])C(C)C)cc1 ZINC000180089694 1429732232 /nfs/dbraw/zinc/73/22/32/1429732232.db2.gz FRKZCEYXVWINAU-IBGZPJMESA-N 0 3 390.455 3.140 20 10 GGCDHN COc1cc(O)c(CN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1OC ZINC000160105749 1424574093 /nfs/dbraw/zinc/57/40/93/1424574093.db2.gz XYHVWSUNDBNUMG-UHFFFAOYSA-N 0 3 396.447 3.234 20 10 GGCDHN CN(C)C(=O)COc1ccccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160191062 1424585362 /nfs/dbraw/zinc/58/53/62/1424585362.db2.gz AYYVAKDGUYZUES-FQEVSTJZSA-N 0 3 398.503 3.040 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000160198383 1424586465 /nfs/dbraw/zinc/58/64/65/1424586465.db2.gz VOLLKAKNGPXYCD-NRFANRHFSA-N 0 3 382.504 3.410 20 10 GGCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000160198383 1424586470 /nfs/dbraw/zinc/58/64/70/1424586470.db2.gz VOLLKAKNGPXYCD-NRFANRHFSA-N 0 3 382.504 3.410 20 10 GGCDHN C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N(C)C)cc1 ZINC000160421665 1424603173 /nfs/dbraw/zinc/60/31/73/1424603173.db2.gz JRALHBGWLXBMGW-KRWDZBQOSA-N 0 3 387.549 3.388 20 10 GGCDHN CC[C@@H](N[C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000161448934 1424690018 /nfs/dbraw/zinc/69/00/18/1424690018.db2.gz CHQRVVDZHSQQQS-FOIQADDNSA-N 0 3 375.538 3.463 20 10 GGCDHN CC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000161448699 1424690530 /nfs/dbraw/zinc/69/05/30/1424690530.db2.gz CHQRVVDZHSQQQS-MGPUTAFESA-N 0 3 375.538 3.463 20 10 GGCDHN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC[C@@H]2CCCO2)cc1 ZINC000163669470 1425031953 /nfs/dbraw/zinc/03/19/53/1425031953.db2.gz IBDLDZGJFCCNNR-QFIPXVFZSA-N 0 3 397.519 3.063 20 10 GGCDHN CC[C@@H](N[C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N1CCOCC1 ZINC000165039737 1425158782 /nfs/dbraw/zinc/15/87/82/1425158782.db2.gz YQRQLBVOHQHGCW-VQIMIIECSA-N 0 3 377.504 3.104 20 10 GGCDHN CC[C@H](N[C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N1CCOCC1 ZINC000165039623 1425158893 /nfs/dbraw/zinc/15/88/93/1425158893.db2.gz YQRQLBVOHQHGCW-APWZRJJASA-N 0 3 377.504 3.104 20 10 GGCDHN CCCN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)Cc1ccccc1O ZINC000170779185 1425339457 /nfs/dbraw/zinc/33/94/57/1425339457.db2.gz BCMDGDLHWOGJOT-UHFFFAOYSA-N 0 3 395.503 3.047 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CNC1(c3ccc(F)cc3)CCCC1)cc2=O ZINC000171694172 1425791390 /nfs/dbraw/zinc/79/13/90/1425791390.db2.gz NDYOASLSXAIKOS-UHFFFAOYSA-N 0 3 398.438 3.310 20 10 GGCDHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1c1ccccc1 ZINC000172797950 1426193871 /nfs/dbraw/zinc/19/38/71/1426193871.db2.gz JQVPMCWWMZJDPR-VQTJNVASSA-N 0 3 382.460 3.399 20 10 GGCDHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1c1ccccc1 ZINC000172797950 1426193875 /nfs/dbraw/zinc/19/38/75/1426193875.db2.gz JQVPMCWWMZJDPR-VQTJNVASSA-N 0 3 382.460 3.399 20 10 GGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(c4nc(C)ns4)CC3)c2c1 ZINC000173411414 1426594155 /nfs/dbraw/zinc/59/41/55/1426594155.db2.gz WIPXANVLHKSRTP-UHFFFAOYSA-N 0 3 384.505 3.426 20 10 GGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(c4nc(C)ns4)CC3)c2c1 ZINC000173411414 1426594170 /nfs/dbraw/zinc/59/41/70/1426594170.db2.gz WIPXANVLHKSRTP-UHFFFAOYSA-N 0 3 384.505 3.426 20 10 GGCDHN CCN(CC)[C@H](CNC(=O)NCc1cccc(OC)c1O)c1ccsc1 ZINC000173823591 1426860910 /nfs/dbraw/zinc/86/09/10/1426860910.db2.gz VSPVTFZTACEWQO-MRXNPFEDSA-N 0 3 377.510 3.345 20 10 GGCDHN CCCN(Cc1ccccc1O)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000173902936 1426885923 /nfs/dbraw/zinc/88/59/23/1426885923.db2.gz RVYGCTTXGLRDII-INIZCTEOSA-N 0 3 388.489 3.258 20 10 GGCDHN COc1cccc(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1O ZINC000173996485 1426933261 /nfs/dbraw/zinc/93/32/61/1426933261.db2.gz YLXLCLSAKLYJCG-UHFFFAOYSA-N 0 3 383.492 3.037 20 10 GGCDHN Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000174008116 1426940632 /nfs/dbraw/zinc/94/06/32/1426940632.db2.gz IIQMTMSRRNWXLI-PGRDOPGGSA-N 0 3 379.504 3.288 20 10 GGCDHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c(C)c2)CC1 ZINC000180601293 1429925588 /nfs/dbraw/zinc/92/55/88/1429925588.db2.gz PISMEWFHVBSPNE-WEVVVXLNSA-N 0 3 381.476 3.200 20 10 GGCDHN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3ccc(N(C)C)cc3)C2=O)c1 ZINC000181209553 1430248478 /nfs/dbraw/zinc/24/84/78/1430248478.db2.gz WXYFUDGKUWIWEW-QVKFZJNVSA-N 0 3 383.492 3.226 20 10 GGCDHN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3ccc(N(C)C)cc3)C2=O)c1 ZINC000181209565 1430248524 /nfs/dbraw/zinc/24/85/24/1430248524.db2.gz WXYFUDGKUWIWEW-BTYIYWSLSA-N 0 3 383.492 3.226 20 10 GGCDHN C[C@@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000182053334 1430402636 /nfs/dbraw/zinc/40/26/36/1430402636.db2.gz PTTPRFDAGWRCQH-FGTMMUONSA-N 0 3 399.510 3.406 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCc2ccc(OC(C)C)cc2)c1 ZINC000182326123 1430448962 /nfs/dbraw/zinc/44/89/62/1430448962.db2.gz PRANQVDQZCUBIW-MRXNPFEDSA-N 0 3 386.492 3.198 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1 ZINC000182374629 1430455085 /nfs/dbraw/zinc/45/50/85/1430455085.db2.gz UTLWOCVZKBWMEP-AWEZNQCLSA-N 0 3 398.438 3.323 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCc2nc3ccccc3s2)c1 ZINC000182397595 1430459809 /nfs/dbraw/zinc/45/98/09/1430459809.db2.gz QDRRHGWYEYNUBR-CYBMUJFWSA-N 0 3 385.489 3.020 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCc2ccc(OC(F)F)cc2)c1 ZINC000182407087 1430462044 /nfs/dbraw/zinc/46/20/44/1430462044.db2.gz GTVISZAEMAGHCT-ZDUSSCGKSA-N 0 3 394.418 3.012 20 10 GGCDHN COc1ccc(CN(C(=O)CN[C@@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182443287 1430468676 /nfs/dbraw/zinc/46/86/76/1430468676.db2.gz ZAYNVISMOXJLFF-HNNXBMFYSA-N 0 3 384.476 3.251 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000182471559 1430473303 /nfs/dbraw/zinc/47/33/03/1430473303.db2.gz MKZDPYCNRXQQBL-VLIAUNLRSA-N 0 3 397.500 3.414 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000183011679 1430592422 /nfs/dbraw/zinc/59/24/22/1430592422.db2.gz PGXDXEZTASLVKD-NRFANRHFSA-N 0 3 382.504 3.268 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000183011679 1430592427 /nfs/dbraw/zinc/59/24/27/1430592427.db2.gz PGXDXEZTASLVKD-NRFANRHFSA-N 0 3 382.504 3.268 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000183128902 1430623071 /nfs/dbraw/zinc/62/30/71/1430623071.db2.gz XMOJRCJLRFDSKY-LJQANCHMSA-N 0 3 378.476 3.475 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000183128902 1430623075 /nfs/dbraw/zinc/62/30/75/1430623075.db2.gz XMOJRCJLRFDSKY-LJQANCHMSA-N 0 3 378.476 3.475 20 10 GGCDHN CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000183490607 1430725944 /nfs/dbraw/zinc/72/59/44/1430725944.db2.gz HNERNFPLCCGTLQ-CQSZACIVSA-N 0 3 382.551 3.378 20 10 GGCDHN CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000183490585 1430726048 /nfs/dbraw/zinc/72/60/48/1430726048.db2.gz HNERNFPLCCGTLQ-AWEZNQCLSA-N 0 3 382.551 3.378 20 10 GGCDHN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000183563583 1430742897 /nfs/dbraw/zinc/74/28/97/1430742897.db2.gz VGMSCPRTAQWVGZ-GOSISDBHSA-N 0 3 391.519 3.248 20 10 GGCDHN COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)cc1OC ZINC000183607840 1430753894 /nfs/dbraw/zinc/75/38/94/1430753894.db2.gz PSKAGFISAQPVPJ-HNNXBMFYSA-N 0 3 384.476 3.365 20 10 GGCDHN COc1ccc(CCN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000183701480 1430776564 /nfs/dbraw/zinc/77/65/64/1430776564.db2.gz QLDOZCYFXQOGPF-UHFFFAOYSA-N 0 3 386.492 3.086 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(-n4ccnc4)cc3)c2)CC1 ZINC000184256832 1430863208 /nfs/dbraw/zinc/86/32/08/1430863208.db2.gz NCSDWSGVOLQPIN-UHFFFAOYSA-N 0 3 375.476 3.267 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(-c4nnc(C)o4)c3)c2)CC1 ZINC000184266763 1430864908 /nfs/dbraw/zinc/86/49/08/1430864908.db2.gz GHUCNHYYUVPMIT-UHFFFAOYSA-N 0 3 391.475 3.439 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(F)cc4nccnc43)c2)CC1 ZINC000184275744 1430866283 /nfs/dbraw/zinc/86/62/83/1430866283.db2.gz PGDMRAZCVUVRQK-UHFFFAOYSA-N 0 3 379.439 3.163 20 10 GGCDHN CCCNC(=O)c1cccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)c1 ZINC000184275405 1430866317 /nfs/dbraw/zinc/86/63/17/1430866317.db2.gz RAXANVOVGKEXHX-UHFFFAOYSA-N 0 3 394.519 3.221 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(NC(=O)OC)c3)c2)CC1 ZINC000184282645 1430867433 /nfs/dbraw/zinc/86/74/33/1430867433.db2.gz LJZJHUWTTRAIBB-UHFFFAOYSA-N 0 3 382.464 3.259 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])c2)CC1 ZINC000184281576 1430867459 /nfs/dbraw/zinc/86/74/59/1430867459.db2.gz WCGRXBCCIPBJJO-UHFFFAOYSA-N 0 3 390.390 3.267 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)c2)CC1 ZINC000184929286 1431024089 /nfs/dbraw/zinc/02/40/89/1431024089.db2.gz JBJVLYYJMITXQN-MRXNPFEDSA-N 0 3 398.507 3.425 20 10 GGCDHN COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185255319 1431094817 /nfs/dbraw/zinc/09/48/17/1431094817.db2.gz VYUCLJCWPQQUBQ-OAHLLOKOSA-N 0 3 386.467 3.424 20 10 GGCDHN COc1cccc(CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1O ZINC000187481256 1431744859 /nfs/dbraw/zinc/74/48/59/1431744859.db2.gz QOUCKKULYPBPNV-IBGZPJMESA-N 0 3 385.508 3.357 20 10 GGCDHN O=C(C1CC1)N1CCCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000188704010 1431939594 /nfs/dbraw/zinc/93/95/94/1431939594.db2.gz CVCPTVUZCKBQQJ-UHFFFAOYSA-N 0 3 380.488 3.416 20 10 GGCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCc2ccccc2C1 ZINC000189106390 1432046038 /nfs/dbraw/zinc/04/60/38/1432046038.db2.gz AYDPCZIMFLNAMU-QFIPXVFZSA-N 0 3 394.515 3.348 20 10 GGCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCc2ccccc2C1 ZINC000189106390 1432046045 /nfs/dbraw/zinc/04/60/45/1432046045.db2.gz AYDPCZIMFLNAMU-QFIPXVFZSA-N 0 3 394.515 3.348 20 10 GGCDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000189984952 1432299757 /nfs/dbraw/zinc/29/97/57/1432299757.db2.gz VLUZGLUDLWWELE-CQSZACIVSA-N 0 3 378.469 3.264 20 10 GGCDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000189984952 1432299765 /nfs/dbraw/zinc/29/97/65/1432299765.db2.gz VLUZGLUDLWWELE-CQSZACIVSA-N 0 3 378.469 3.264 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)c2)CC1 ZINC000190349849 1432365765 /nfs/dbraw/zinc/36/57/65/1432365765.db2.gz DFTNNDHKMTVJKT-UHFFFAOYSA-N 0 3 398.463 3.306 20 10 GGCDHN COCCN(C)c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000191170094 1432581291 /nfs/dbraw/zinc/58/12/91/1432581291.db2.gz IZFBQCBKELNYGF-FQEVSTJZSA-N 0 3 385.508 3.051 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3c(F)ccc(OC)c3OC)c2)CC1 ZINC000191244035 1432603095 /nfs/dbraw/zinc/60/30/95/1432603095.db2.gz WWAGFLUPSDHOGW-UHFFFAOYSA-N 0 3 387.455 3.237 20 10 GGCDHN CCN1CCN(c2ccc(CNCc3cccc(OC)c3F)cc2F)CC1 ZINC000192681184 1432874762 /nfs/dbraw/zinc/87/47/62/1432874762.db2.gz NUDGXBUIONOOCI-UHFFFAOYSA-N 0 3 375.463 3.405 20 10 GGCDHN COc1ccc(N2CCCN(C(=O)NC[C@H](c3ccccc3)N(C)C)CC2)cc1 ZINC000193606221 1433027714 /nfs/dbraw/zinc/02/77/14/1433027714.db2.gz GJSBFCUCGXAYJF-JOCHJYFZSA-N 0 3 396.535 3.220 20 10 GGCDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194067624 1433110857 /nfs/dbraw/zinc/11/08/57/1433110857.db2.gz YXIAAHDWMXZFLP-KRWDZBQOSA-N 0 3 387.549 3.388 20 10 GGCDHN COc1ccc(CNCc2ccccc2CS(=O)(=O)NC(C)C)cc1C ZINC000237245540 1433394264 /nfs/dbraw/zinc/39/42/64/1433394264.db2.gz KXTJLCHGZIBNHF-UHFFFAOYSA-N 0 3 376.522 3.121 20 10 GGCDHN N[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000237900843 1433432767 /nfs/dbraw/zinc/43/27/67/1433432767.db2.gz NRKYXAFIISHCQV-LPHOPBHVSA-N 0 3 389.446 3.463 20 10 GGCDHN Nc1ccc(CCNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000237944911 1433436148 /nfs/dbraw/zinc/43/61/48/1433436148.db2.gz KENNEVDHCFHCTD-HXUWFJFHSA-N 0 3 391.437 3.382 20 10 GGCDHN CC(C)CN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1CCN(C)CC1 ZINC000265107196 1434185568 /nfs/dbraw/zinc/18/55/68/1434185568.db2.gz JFELVQVUTCEGPO-RMKNXTFCSA-N 0 3 385.552 3.115 20 10 GGCDHN CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000268805171 1434559239 /nfs/dbraw/zinc/55/92/39/1434559239.db2.gz FPPDWRVNXVMWNO-SFHVURJKSA-N 0 3 380.536 3.272 20 10 GGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1 ZINC000268830043 1434562078 /nfs/dbraw/zinc/56/20/78/1434562078.db2.gz OFVYJSRUJQVPHL-QGZVFWFLSA-N 0 3 399.535 3.469 20 10 GGCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000268839266 1434563374 /nfs/dbraw/zinc/56/33/74/1434563374.db2.gz ZDHVZDRKCBVNSW-GOSISDBHSA-N 0 3 381.520 3.466 20 10 GGCDHN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1OCC(=O)N(C)C ZINC000268851986 1434564522 /nfs/dbraw/zinc/56/45/22/1434564522.db2.gz TURBNWIKZHOZBF-INIZCTEOSA-N 0 3 385.508 3.079 20 10 GGCDHN CCCOc1ccc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)c(O)c1 ZINC000269462580 1434649318 /nfs/dbraw/zinc/64/93/18/1434649318.db2.gz JLQIMAPBDHQYQU-UHFFFAOYSA-N 0 3 386.496 3.149 20 10 GGCDHN CCCOc1ccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c([O-])c1 ZINC000269462580 1434649323 /nfs/dbraw/zinc/64/93/23/1434649323.db2.gz JLQIMAPBDHQYQU-UHFFFAOYSA-N 0 3 386.496 3.149 20 10 GGCDHN CCCOc1ccc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c([O-])c1 ZINC000269462580 1434649327 /nfs/dbraw/zinc/64/93/27/1434649327.db2.gz JLQIMAPBDHQYQU-UHFFFAOYSA-N 0 3 386.496 3.149 20 10 GGCDHN Cc1cc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1N(C)C ZINC000271474846 1434828056 /nfs/dbraw/zinc/82/80/56/1434828056.db2.gz JOPREUHENMQBCB-MRXNPFEDSA-N 0 3 375.538 3.162 20 10 GGCDHN C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273363294 1434983221 /nfs/dbraw/zinc/98/32/21/1434983221.db2.gz AURXBEOSBOKHSJ-OAHLLOKOSA-N 0 3 385.464 3.108 20 10 GGCDHN C[C@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273453306 1434989758 /nfs/dbraw/zinc/98/97/58/1434989758.db2.gz PFLVJXGBRFJIRU-SGTLLEGYSA-N 0 3 383.414 3.105 20 10 GGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000273889045 1435025678 /nfs/dbraw/zinc/02/56/78/1435025678.db2.gz SWGZLYOJIBCEBZ-RCCFBDPRSA-N 0 3 376.497 3.286 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)CC1 ZINC000274491562 1435074562 /nfs/dbraw/zinc/07/45/62/1435074562.db2.gz RHQVYUUCKJCGJF-UHFFFAOYSA-N 0 3 399.491 3.107 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(NC(=O)N(C)C)c3)c2)CC1 ZINC000274544968 1435077755 /nfs/dbraw/zinc/07/77/55/1435077755.db2.gz FVFPRKUTCMAGCE-UHFFFAOYSA-N 0 3 395.507 3.174 20 10 GGCDHN CC[C@@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccccc1[O-] ZINC000274861249 1435098810 /nfs/dbraw/zinc/09/88/10/1435098810.db2.gz CWYNHRRCUWFBGK-AZUAARDMSA-N 0 3 398.503 3.307 20 10 GGCDHN Fc1ccc(Cn2cc(CNCc3ccc(N4CCOCC4)cc3)cn2)cc1 ZINC000275512177 1435144713 /nfs/dbraw/zinc/14/47/13/1435144713.db2.gz NLGKOGFTJUECDA-UHFFFAOYSA-N 0 3 380.467 3.197 20 10 GGCDHN COc1c([O-])c(CNc2cccc(OCCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000278849541 1435430850 /nfs/dbraw/zinc/43/08/50/1435430850.db2.gz KVWOJWHTKIBNEF-UHFFFAOYSA-N 0 3 375.425 3.252 20 10 GGCDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1[O-] ZINC000835074930 1126111370 /nfs/dbraw/zinc/11/13/70/1126111370.db2.gz VELVEOKNNGOCAR-QGZVFWFLSA-N 0 3 394.309 3.473 20 10 GGCDHN COc1cc(Br)cc(CN(C)[C@H]2CCCc3c2cnn3C)c1O ZINC000093863769 564891822 /nfs/dbraw/zinc/89/18/22/564891822.db2.gz FUBMTIRXNSYKQR-AWEZNQCLSA-N 0 3 380.286 3.406 20 10 GGCDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000155655372 565070239 /nfs/dbraw/zinc/07/02/39/565070239.db2.gz VDIACYZPLNOWPX-RHSMWYFYSA-N 0 3 384.362 3.079 20 10 GGCDHN CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185014789 565171765 /nfs/dbraw/zinc/17/17/65/565171765.db2.gz LVYNHNJDLOAFKP-HNNXBMFYSA-N 0 3 384.362 3.223 20 10 GGCDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185345709 565197444 /nfs/dbraw/zinc/19/74/44/565197444.db2.gz JFRRSVCXTWBHCJ-HUUCEWRRSA-N 0 3 384.362 3.079 20 10 GGCDHN C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1[O-] ZINC000185492558 565205362 /nfs/dbraw/zinc/20/53/62/565205362.db2.gz JFEZKPHRVRDLBK-KGLIPLIRSA-N 0 3 383.330 3.306 20 10 GGCDHN Cc1cc(Br)cc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1[O-] ZINC000295156492 565248139 /nfs/dbraw/zinc/24/81/39/565248139.db2.gz RSLHVVIOXSIDPC-UHFFFAOYSA-N 0 3 390.343 3.156 20 10 GGCDHN CC[C@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000186426969 565260874 /nfs/dbraw/zinc/26/08/74/565260874.db2.gz YMHPAPUYLJWEDN-PBHICJAKSA-N 0 3 384.362 3.221 20 10 GGCDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000271869443 565271326 /nfs/dbraw/zinc/27/13/26/565271326.db2.gz XGIKGZCGAVQYFP-IRXDYDNUSA-N 0 3 380.282 3.037 20 10 GGCDHN CCN1CCN(CCC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000186999203 565301539 /nfs/dbraw/zinc/30/15/39/565301539.db2.gz HHGMQISAWWAHRP-OAHLLOKOSA-N 0 3 384.362 3.141 20 10 GGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cc(Br)ccc1[O-] ZINC000273534246 565325016 /nfs/dbraw/zinc/32/50/16/565325016.db2.gz WXLZRCCQKHURNH-IWEFOYFVSA-N 0 3 383.330 3.183 20 10 GGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1[O-] ZINC000187487402 565335682 /nfs/dbraw/zinc/33/56/82/565335682.db2.gz JWNADKASOZIIFC-OCCSQVGLSA-N 0 3 386.286 3.036 20 10 GGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000275390132 565407107 /nfs/dbraw/zinc/40/71/07/565407107.db2.gz YSGGTYFNEBRUIX-HUUCEWRRSA-N 0 3 384.362 3.140 20 10 GGCDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000275691144 565424002 /nfs/dbraw/zinc/42/40/02/565424002.db2.gz WYNUCBXVFVIMRO-YJBOKZPZSA-N 0 3 394.313 3.433 20 10 GGCDHN C[C@H](O)c1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000377616140 565489674 /nfs/dbraw/zinc/48/96/74/565489674.db2.gz OOWKCRJGXCAANX-SWLSCSKDSA-N 0 3 381.929 3.310 20 10 GGCDHN Cc1cc(Br)cc(C[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000277627813 565510947 /nfs/dbraw/zinc/51/09/47/565510947.db2.gz MTFSKANIAJFGIL-UHFFFAOYSA-N 0 3 377.286 3.012 20 10 GGCDHN CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(C)cc1[O-] ZINC000279975647 565644207 /nfs/dbraw/zinc/64/42/07/565644207.db2.gz DGCNXVWDVCLEDK-HNNXBMFYSA-N 0 3 376.469 3.006 20 10 GGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180070489 566030769 /nfs/dbraw/zinc/03/07/69/566030769.db2.gz DGSDAPODYBOYHF-ZDUSSCGKSA-N 0 3 391.313 3.380 20 10 GGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180070489 566030771 /nfs/dbraw/zinc/03/07/71/566030771.db2.gz DGSDAPODYBOYHF-ZDUSSCGKSA-N 0 3 391.313 3.380 20 10 GGCDHN Cc1cc(Br)cc(CN2CCC([C@@H](O)c3nccn3C)CC2)c1O ZINC000180279956 566050034 /nfs/dbraw/zinc/05/00/34/566050034.db2.gz DVSRSUBVTSOELE-QGZVFWFLSA-N 0 3 394.313 3.142 20 10 GGCDHN COc1cccc(CNCc2cc(Br)c3c(c2)OCCO3)c1O ZINC000263705834 566194191 /nfs/dbraw/zinc/19/41/91/566194191.db2.gz SEMMPZYCGURRGX-UHFFFAOYSA-N 0 3 380.238 3.224 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)[C@@H](C)c1ccc(F)cc1)cc2=O ZINC000053088940 1406287411 /nfs/dbraw/zinc/28/74/11/1406287411.db2.gz IMBRFSHRSQUOSK-ZDUSSCGKSA-N 0 3 386.427 3.334 20 10 GGCDHN CN(CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Cc1ccccc1 ZINC000054763296 1406820641 /nfs/dbraw/zinc/82/06/41/1406820641.db2.gz RGKMYVGOCMFUBG-OAQYLSRUSA-N 0 3 397.519 3.215 20 10 GGCDHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000022946008 1399519328 /nfs/dbraw/zinc/51/93/28/1399519328.db2.gz GWTJHNCDWMJCHV-KDURUIRLSA-N 0 3 395.547 3.168 20 10 GGCDHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C1 ZINC000022946008 1399519335 /nfs/dbraw/zinc/51/93/35/1399519335.db2.gz GWTJHNCDWMJCHV-KDURUIRLSA-N 0 3 395.547 3.168 20 10 GGCDHN CN(C)Cc1cccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000047505581 1404854337 /nfs/dbraw/zinc/85/43/37/1404854337.db2.gz VRBNAQNPHNJFAW-UHFFFAOYSA-N 0 3 396.535 3.279 20 10 GGCDHN CCN(Cc1ccccc1)c1ccc(CNCC(=O)NCC(F)(F)F)cc1 ZINC000048745809 1405280087 /nfs/dbraw/zinc/28/00/87/1405280087.db2.gz XQNPCFDODLTRCV-UHFFFAOYSA-N 0 3 379.426 3.481 20 10 GGCDHN COc1ccc(CNCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1C ZINC000063549805 1408371097 /nfs/dbraw/zinc/37/10/97/1408371097.db2.gz APYRNHNDSSELIR-UHFFFAOYSA-N 0 3 376.522 3.121 20 10 GGCDHN CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176465570 1428329357 /nfs/dbraw/zinc/32/93/57/1428329357.db2.gz JZWZRDCCEHEJLS-UHFFFAOYSA-N 0 3 378.517 3.227 20 10 GGCDHN CCN(CC)c1ccc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000092585812 1410175297 /nfs/dbraw/zinc/17/52/97/1410175297.db2.gz KCXGKRWPWRQJDO-INIZCTEOSA-N 0 3 375.538 3.373 20 10 GGCDHN CCN(CC)c1ccc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000092585813 1410175848 /nfs/dbraw/zinc/17/58/48/1410175848.db2.gz KCXGKRWPWRQJDO-MRXNPFEDSA-N 0 3 375.538 3.373 20 10 GGCDHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000092664330 1410183303 /nfs/dbraw/zinc/18/33/03/1410183303.db2.gz OAYMHXUMRXBVNQ-HOTGVXAUSA-N 0 3 396.373 3.145 20 10 GGCDHN CCCCNC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000092710167 1410193805 /nfs/dbraw/zinc/19/38/05/1410193805.db2.gz VAQLPBXJCLWDTF-CYBMUJFWSA-N 0 3 399.329 3.292 20 10 GGCDHN Cc1cc(C(=O)NC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c(C)o1 ZINC000093009375 1410215004 /nfs/dbraw/zinc/21/50/04/1410215004.db2.gz BXDSDBOOGUKXNI-UHFFFAOYSA-N 0 3 397.519 3.127 20 10 GGCDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093083883 1410221170 /nfs/dbraw/zinc/22/11/70/1410221170.db2.gz XIGPTIDDJLSCJE-UHFFFAOYSA-N 0 3 399.510 3.386 20 10 GGCDHN O=C1OCCN1c1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000093740593 1410262672 /nfs/dbraw/zinc/26/26/72/1410262672.db2.gz UQYIKDGGFNGMAT-UHFFFAOYSA-N 0 3 393.487 3.038 20 10 GGCDHN CCc1cc(CN2CCC(NS(=O)(=O)CC)CC2)c(O)c(C(C)(C)C)c1 ZINC000098051483 1410402558 /nfs/dbraw/zinc/40/25/58/1410402558.db2.gz WVMIYIRWTYAMME-UHFFFAOYSA-N 0 3 382.570 3.156 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COCc1ccccc1F)C[C@H]1CCCO1 ZINC000098072156 1410406926 /nfs/dbraw/zinc/40/69/26/1410406926.db2.gz XZWZGGPSEUQMLF-VQTJNVASSA-N 0 3 389.467 3.090 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COCc1ccccc1F)C[C@H]1CCCO1 ZINC000098072156 1410406930 /nfs/dbraw/zinc/40/69/30/1410406930.db2.gz XZWZGGPSEUQMLF-VQTJNVASSA-N 0 3 389.467 3.090 20 10 GGCDHN COc1cc(Br)cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000105448193 1411067655 /nfs/dbraw/zinc/06/76/55/1411067655.db2.gz DFISLVVJWPMOKD-UHFFFAOYSA-N 0 3 381.226 3.404 20 10 GGCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000109347502 1411745845 /nfs/dbraw/zinc/74/58/45/1411745845.db2.gz BFDGADZNQKJHAZ-ROUUACIJSA-N 0 3 399.510 3.360 20 10 GGCDHN CCCN1CCCC[C@@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000109444057 1411764889 /nfs/dbraw/zinc/76/48/89/1411764889.db2.gz GMQCSRARAYFFTE-LLGFUMIMSA-N 0 3 391.531 3.320 20 10 GGCDHN CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000113327947 1412293405 /nfs/dbraw/zinc/29/34/05/1412293405.db2.gz KANHXXIRWUHLQQ-UHFFFAOYSA-N 0 3 393.528 3.210 20 10 GGCDHN COc1cccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000113960564 1412359730 /nfs/dbraw/zinc/35/97/30/1412359730.db2.gz OFZXWGIMKOGHPX-OAHLLOKOSA-N 0 3 380.366 3.315 20 10 GGCDHN COc1ccc(O)c(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000114583423 1412466680 /nfs/dbraw/zinc/46/66/80/1412466680.db2.gz BXDLDLYRGNPXEG-MRXNPFEDSA-N 0 3 375.494 3.099 20 10 GGCDHN COc1ccc(O)c(CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000114592923 1412470362 /nfs/dbraw/zinc/47/03/62/1412470362.db2.gz RCJWHEIANOAZRU-FQEVSTJZSA-N 0 3 383.492 3.346 20 10 GGCDHN C[C@H](N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1(C)CC1 ZINC000177253284 1428654863 /nfs/dbraw/zinc/65/48/63/1428654863.db2.gz SRTWMNBJMVJESN-ZACQAIPSSA-N 0 3 391.531 3.176 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN(Cc1ccc(C)s1)C(C)C)cc2=O ZINC000120164143 1413714132 /nfs/dbraw/zinc/71/41/32/1413714132.db2.gz AZIFGLCSVGVNPK-UHFFFAOYSA-N 0 3 388.493 3.392 20 10 GGCDHN Cc1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000121991969 1414333853 /nfs/dbraw/zinc/33/38/53/1414333853.db2.gz FJQYAJPXLCRCHZ-KRWDZBQOSA-N 0 3 382.552 3.016 20 10 GGCDHN COc1cc(Br)cc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1[O-] ZINC000122083156 1414358845 /nfs/dbraw/zinc/35/88/45/1414358845.db2.gz QTTKHSWONBIYJB-UHFFFAOYSA-N 0 3 393.281 3.041 20 10 GGCDHN COc1cc(Br)cc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1[O-] ZINC000122083156 1414358855 /nfs/dbraw/zinc/35/88/55/1414358855.db2.gz QTTKHSWONBIYJB-UHFFFAOYSA-N 0 3 393.281 3.041 20 10 GGCDHN COc1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1OC ZINC000122291664 1414414722 /nfs/dbraw/zinc/41/47/22/1414414722.db2.gz INUZOBONGKDRTB-UHFFFAOYSA-N 0 3 383.492 3.487 20 10 GGCDHN COc1ccc(N2CCC(N[C@@H](C)CS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000122307241 1414419113 /nfs/dbraw/zinc/41/91/13/1414419113.db2.gz FZDVPOOENPYFIJ-KRWDZBQOSA-N 0 3 388.533 3.116 20 10 GGCDHN COc1ccc(OC)c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000122338188 1414427897 /nfs/dbraw/zinc/42/78/97/1414427897.db2.gz HBIVUNSANJNZKK-UHFFFAOYSA-N 0 3 383.492 3.487 20 10 GGCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000122700039 1414542609 /nfs/dbraw/zinc/54/26/09/1414542609.db2.gz QHHKEBROZTUCRZ-KRWDZBQOSA-N 0 3 387.549 3.452 20 10 GGCDHN Cc1ccc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c([O-])c1O ZINC000177687084 1428833972 /nfs/dbraw/zinc/83/39/72/1428833972.db2.gz PHKKFLDVFQQFTB-UHFFFAOYSA-N 0 3 383.492 3.437 20 10 GGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)c1[O-] ZINC000123966795 1414858829 /nfs/dbraw/zinc/85/88/29/1414858829.db2.gz RWQSUWRQMLBBAY-CYBMUJFWSA-N 0 3 388.208 3.265 20 10 GGCDHN CC[C@H](NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 ZINC000124179705 1414901762 /nfs/dbraw/zinc/90/17/62/1414901762.db2.gz JCYGMIVCHSSBGH-QFIPXVFZSA-N 0 3 397.519 3.093 20 10 GGCDHN C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177772738 1428855200 /nfs/dbraw/zinc/85/52/00/1428855200.db2.gz AAUVPGSBWGVNJD-QGZVFWFLSA-N 0 3 395.482 3.153 20 10 GGCDHN Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000126495390 1415469952 /nfs/dbraw/zinc/46/99/52/1415469952.db2.gz UBYDQEMAOMDGEI-MRXNPFEDSA-N 0 3 395.482 3.402 20 10 GGCDHN CC(=O)c1ccc(NC(=O)CCN(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000126633852 1415512989 /nfs/dbraw/zinc/51/29/89/1415512989.db2.gz GJLMFFFWECGVNC-UHFFFAOYSA-N 0 3 395.503 3.186 20 10 GGCDHN C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N(C)Cc1ccccc1 ZINC000126925188 1415610594 /nfs/dbraw/zinc/61/05/94/1415610594.db2.gz SIBUBFVEVJGBCM-LJQANCHMSA-N 0 3 378.520 3.383 20 10 GGCDHN C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N(C)Cc1ccccc1 ZINC000126924932 1415610993 /nfs/dbraw/zinc/61/09/93/1415610993.db2.gz SIBUBFVEVJGBCM-IBGZPJMESA-N 0 3 378.520 3.383 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000128421610 1415983176 /nfs/dbraw/zinc/98/31/76/1415983176.db2.gz LNQKDAWBNVWENI-GUXCAODWSA-N 0 3 383.492 3.282 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)C[C@H]1CCCO1 ZINC000128423873 1415984010 /nfs/dbraw/zinc/98/40/10/1415984010.db2.gz YWPRSGNLNSXVDY-RBUKOAKNSA-N 0 3 396.487 3.294 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COc1cccc2[nH]ccc21)C[C@H]1CCCO1 ZINC000128423873 1415984014 /nfs/dbraw/zinc/98/40/14/1415984014.db2.gz YWPRSGNLNSXVDY-RBUKOAKNSA-N 0 3 396.487 3.294 20 10 GGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000129925185 1416286065 /nfs/dbraw/zinc/28/60/65/1416286065.db2.gz XLKDSRZVRVSCLO-DOMZBBRYSA-N 0 3 396.329 3.311 20 10 GGCDHN CCCN(CC(=O)N1CCc2cc(OC)c(OC)cc2C1)Cc1ccccc1O ZINC000130722469 1416434934 /nfs/dbraw/zinc/43/49/34/1416434934.db2.gz TWPVDDNQFXJXNB-UHFFFAOYSA-N 0 3 398.503 3.206 20 10 GGCDHN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000133790229 1416963960 /nfs/dbraw/zinc/96/39/60/1416963960.db2.gz JJNKBHLLLPFYME-CVEARBPZSA-N 0 3 375.538 3.415 20 10 GGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000151535544 1418016038 /nfs/dbraw/zinc/01/60/38/1418016038.db2.gz WACQKNBFCVHMRX-HNNXBMFYSA-N 0 3 386.467 3.409 20 10 GGCDHN CN(C)[C@H](CNC(=O)NCCCSc1nccs1)Cc1ccccc1 ZINC000151694956 1418063400 /nfs/dbraw/zinc/06/34/00/1418063400.db2.gz MSOLVCHIZTXJGP-INIZCTEOSA-N 0 3 378.567 3.097 20 10 GGCDHN Cc1cc2ncc([C@@H](C)NCc3ccc(N4CCC(CO)CC4)cc3)c(C)n2n1 ZINC000179405646 1429361797 /nfs/dbraw/zinc/36/17/97/1429361797.db2.gz JETQCRGNTCUPCR-QGZVFWFLSA-N 0 3 393.535 3.406 20 10 GGCDHN O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179559868 1429432277 /nfs/dbraw/zinc/43/22/77/1429432277.db2.gz MHJSDBDJTGAMSH-AWEZNQCLSA-N 0 3 390.281 3.400 20 10 GGCDHN O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179559868 1429432281 /nfs/dbraw/zinc/43/22/81/1429432281.db2.gz MHJSDBDJTGAMSH-AWEZNQCLSA-N 0 3 390.281 3.400 20 10 GGCDHN CNC(=O)c1ccc(CN(C)Cc2cc(Br)cc(OC)c2O)cc1 ZINC000179757084 1429543031 /nfs/dbraw/zinc/54/30/31/1429543031.db2.gz HNYRMEDMCRUNHU-UHFFFAOYSA-N 0 3 393.281 3.155 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1ccc3c(c1)CCCC3)cc2=O ZINC000154331222 1422873924 /nfs/dbraw/zinc/87/39/24/1422873924.db2.gz PJTUOFTZNRTXFO-CQSZACIVSA-N 0 3 394.475 3.341 20 10 GGCDHN CC[C@H]([NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccccc1[O-] ZINC000155232449 1423262462 /nfs/dbraw/zinc/26/24/62/1423262462.db2.gz ZSFLDCGDURDIQH-NRFANRHFSA-N 0 3 397.519 3.294 20 10 GGCDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000179941339 1429653391 /nfs/dbraw/zinc/65/33/91/1429653391.db2.gz CPPCAVJKUYITTM-QGZVFWFLSA-N 0 3 388.533 3.168 20 10 GGCDHN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000156614865 1423836120 /nfs/dbraw/zinc/83/61/20/1423836120.db2.gz GNVMETUSLJWOQY-HXUWFJFHSA-N 0 3 388.533 3.427 20 10 GGCDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000157779967 1424086240 /nfs/dbraw/zinc/08/62/40/1424086240.db2.gz OGBIRSPOIZYKES-KRWDZBQOSA-N 0 3 384.245 3.300 20 10 GGCDHN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000159083446 1424412799 /nfs/dbraw/zinc/41/27/99/1424412799.db2.gz BVWQUZHBCQWOEK-KRWDZBQOSA-N 0 3 388.533 3.168 20 10 GGCDHN CCNC(=O)COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000159220067 1424447410 /nfs/dbraw/zinc/44/74/10/1424447410.db2.gz OBDMRCQKAWHLOA-MRXNPFEDSA-N 0 3 385.508 3.127 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000160256709 1424590580 /nfs/dbraw/zinc/59/05/80/1424590580.db2.gz QERSECUMWVYYET-BQFCYCMXSA-N 0 3 383.492 3.424 20 10 GGCDHN CC[C@H](N[C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000161448820 1424690149 /nfs/dbraw/zinc/69/01/49/1424690149.db2.gz CHQRVVDZHSQQQS-QRWLVFNGSA-N 0 3 375.538 3.463 20 10 GGCDHN C[C@H](NCc1ccccc1N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161473358 1424693050 /nfs/dbraw/zinc/69/30/50/1424693050.db2.gz VLYAJDVJLJHFPR-SFHVURJKSA-N 0 3 399.510 3.350 20 10 GGCDHN C[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000161519154 1424698840 /nfs/dbraw/zinc/69/88/40/1424698840.db2.gz GMDGZZQMYUFPRY-HOTGVXAUSA-N 0 3 375.538 3.415 20 10 GGCDHN C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000162018760 1424809308 /nfs/dbraw/zinc/80/93/08/1424809308.db2.gz TVRJHWZIFICQPM-LJQANCHMSA-N 0 3 383.536 3.314 20 10 GGCDHN C[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000162453314 1424854118 /nfs/dbraw/zinc/85/41/18/1424854118.db2.gz IJVUMURPONKFHQ-SFHVURJKSA-N 0 3 387.549 3.306 20 10 GGCDHN COc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1OCC(N)=O ZINC000162668427 1424877373 /nfs/dbraw/zinc/87/73/73/1424877373.db2.gz IIVZDVLBKBMHEU-QGZVFWFLSA-N 0 3 397.519 3.400 20 10 GGCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000165188180 1425169221 /nfs/dbraw/zinc/16/92/21/1425169221.db2.gz YNGRLNSRPDBBNW-HAWMADMCSA-N 0 3 376.497 3.251 20 10 GGCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000165187936 1425169657 /nfs/dbraw/zinc/16/96/57/1425169657.db2.gz YNGRLNSRPDBBNW-QWXGXRTQSA-N 0 3 376.497 3.251 20 10 GGCDHN CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000172672002 1426137044 /nfs/dbraw/zinc/13/70/44/1426137044.db2.gz OAZVVABSDVYURU-UHFFFAOYSA-N 0 3 393.528 3.212 20 10 GGCDHN O=C1O[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1c1ccccc1 ZINC000172797947 1426193958 /nfs/dbraw/zinc/19/39/58/1426193958.db2.gz JQVPMCWWMZJDPR-PMACEKPBSA-N 0 3 382.460 3.399 20 10 GGCDHN O=C1O[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1c1ccccc1 ZINC000172797947 1426193962 /nfs/dbraw/zinc/19/39/62/1426193962.db2.gz JQVPMCWWMZJDPR-PMACEKPBSA-N 0 3 382.460 3.399 20 10 GGCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173365176 1426538493 /nfs/dbraw/zinc/53/84/93/1426538493.db2.gz ZLBMAHQDTZWXMQ-MRXNPFEDSA-N 0 3 387.549 3.170 20 10 GGCDHN Cc1ccc(N2CC[C@H](N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000174008130 1426940718 /nfs/dbraw/zinc/94/07/18/1426940718.db2.gz IIQMTMSRRNWXLI-GCJKJVERSA-N 0 3 379.504 3.288 20 10 GGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000174373281 1427126319 /nfs/dbraw/zinc/12/63/19/1427126319.db2.gz GMYWFDBTHAAFKM-INIZCTEOSA-N 0 3 386.492 3.326 20 10 GGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000174373281 1427126323 /nfs/dbraw/zinc/12/63/23/1427126323.db2.gz GMYWFDBTHAAFKM-INIZCTEOSA-N 0 3 386.492 3.326 20 10 GGCDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1[O-] ZINC000174441978 1427157473 /nfs/dbraw/zinc/15/74/73/1427157473.db2.gz NRDWTRCXFLLVOV-KRWDZBQOSA-N 0 3 384.270 3.370 20 10 GGCDHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccc(N2CCCC2)cc1 ZINC000174619779 1427267974 /nfs/dbraw/zinc/26/79/74/1427267974.db2.gz YEWDNHUIAUUMQQ-UHFFFAOYSA-N 0 3 392.547 3.115 20 10 GGCDHN CC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000180612119 1429933310 /nfs/dbraw/zinc/93/33/10/1429933310.db2.gz PZARRBLYRWJMFK-FQEVSTJZSA-N 0 3 397.519 3.223 20 10 GGCDHN CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(OC)c1 ZINC000180619743 1429937191 /nfs/dbraw/zinc/93/71/91/1429937191.db2.gz FEAUDCBENHVJJA-FMAYLGMYSA-N 0 3 384.476 3.319 20 10 GGCDHN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181177071 1430238427 /nfs/dbraw/zinc/23/84/27/1430238427.db2.gz QNPBIYKNFZKUEN-PXNSSMCTSA-N 0 3 381.524 3.257 20 10 GGCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181179321 1430239705 /nfs/dbraw/zinc/23/97/05/1430239705.db2.gz GAELJDADZUBQLL-NFBKMPQASA-N 0 3 395.547 3.469 20 10 GGCDHN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccc(N(C)C)cc3)C2=O)c1 ZINC000181209536 1430248224 /nfs/dbraw/zinc/24/82/24/1430248224.db2.gz WXYFUDGKUWIWEW-YCRPNKLZSA-N 0 3 383.492 3.226 20 10 GGCDHN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc(N(C)C)cc3)C2=O)c1 ZINC000181209586 1430248553 /nfs/dbraw/zinc/24/85/53/1430248553.db2.gz WXYFUDGKUWIWEW-VFNWGFHPSA-N 0 3 383.492 3.226 20 10 GGCDHN COCCc1nc(C)c([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000181384638 1430285685 /nfs/dbraw/zinc/28/56/85/1430285685.db2.gz APJDNIAPVBRWPA-AWEZNQCLSA-N 0 3 393.528 3.467 20 10 GGCDHN CCN(C)c1ccc([C@H](C)NCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000181504006 1430311575 /nfs/dbraw/zinc/31/15/75/1430311575.db2.gz OXHJJEMUZLGROG-HNNXBMFYSA-N 0 3 381.567 3.176 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCc2ccc(OC(C)C)cc2)c1 ZINC000182326103 1430448757 /nfs/dbraw/zinc/44/87/57/1430448757.db2.gz PRANQVDQZCUBIW-INIZCTEOSA-N 0 3 386.492 3.198 20 10 GGCDHN CCCCCc1nnc(NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000182335222 1430450234 /nfs/dbraw/zinc/45/02/34/1430450234.db2.gz WJBNNKOENMJBOS-LBPRGKRZSA-N 0 3 378.498 3.274 20 10 GGCDHN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182462974 1430471991 /nfs/dbraw/zinc/47/19/91/1430471991.db2.gz NJPTVFHJDBWCKJ-RCDICMHDSA-N 0 3 384.476 3.328 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000182471583 1430473407 /nfs/dbraw/zinc/47/34/07/1430473407.db2.gz MKZDPYCNRXQQBL-VBKZILBWSA-N 0 3 397.500 3.414 20 10 GGCDHN O=C(NCc1ccc(O)c(O)c1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000182527237 1430483818 /nfs/dbraw/zinc/48/38/18/1430483818.db2.gz JIPAZCKYZBWXKB-LJQANCHMSA-N 0 3 394.393 3.169 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000183098205 1430612356 /nfs/dbraw/zinc/61/23/56/1430612356.db2.gz PFILVFOJYLCXRO-FQEVSTJZSA-N 0 3 382.504 3.125 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000183098205 1430612361 /nfs/dbraw/zinc/61/23/61/1430612361.db2.gz PFILVFOJYLCXRO-FQEVSTJZSA-N 0 3 382.504 3.125 20 10 GGCDHN COc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)cc1OC ZINC000183386780 1430697641 /nfs/dbraw/zinc/69/76/41/1430697641.db2.gz KJIKXOSDQYIMNM-APWZRJJASA-N 0 3 386.492 3.134 20 10 GGCDHN Cc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000184068444 1430836980 /nfs/dbraw/zinc/83/69/80/1430836980.db2.gz HRSGBPIYIWFSNS-LJQANCHMSA-N 0 3 396.579 3.467 20 10 GGCDHN Cc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000184079284 1430838462 /nfs/dbraw/zinc/83/84/62/1430838462.db2.gz LOULGWYLXXSUCD-GOSISDBHSA-N 0 3 382.552 3.158 20 10 GGCDHN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000184176974 1430851442 /nfs/dbraw/zinc/85/14/42/1430851442.db2.gz OQOZECABPIQBGJ-UHFFFAOYSA-N 0 3 382.552 3.240 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(OC)c(OC)cc3F)c2)CC1 ZINC000184283502 1430867742 /nfs/dbraw/zinc/86/77/42/1430867742.db2.gz IKEWFUOOWBEFBB-UHFFFAOYSA-N 0 3 387.455 3.237 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(NC(C)=O)ccc3F)c2)CC1 ZINC000184286879 1430868513 /nfs/dbraw/zinc/86/85/13/1430868513.db2.gz YMADKGBNZRCLRK-UHFFFAOYSA-N 0 3 384.455 3.178 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)NCc3ccc(N(C)C)c(F)c3)c2)CC1 ZINC000184905663 1431018294 /nfs/dbraw/zinc/01/82/94/1431018294.db2.gz JJJOOGVPRHSTCQ-UHFFFAOYSA-N 0 3 399.514 3.355 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 ZINC000185138136 1431070399 /nfs/dbraw/zinc/07/03/99/1431070399.db2.gz UTKCSDSQOUXMKR-DNVCBOLYSA-N 0 3 384.476 3.160 20 10 GGCDHN CN(C)c1ccncc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000185141218 1431071197 /nfs/dbraw/zinc/07/11/97/1431071197.db2.gz BPGRWOXKKOESHR-UHFFFAOYSA-N 0 3 394.441 3.293 20 10 GGCDHN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185169522 1431076644 /nfs/dbraw/zinc/07/66/44/1431076644.db2.gz IFHOUGYIHMIXBM-CQSZACIVSA-N 0 3 380.485 3.413 20 10 GGCDHN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)ccc1[O-] ZINC000185178929 1431078270 /nfs/dbraw/zinc/07/82/70/1431078270.db2.gz YLGRCJVZHINKFP-CQSZACIVSA-N 0 3 378.469 3.167 20 10 GGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c([O-])c1 ZINC000185356068 1431124719 /nfs/dbraw/zinc/12/47/19/1431124719.db2.gz HJIZVHVLXIBSQW-INIZCTEOSA-N 0 3 376.522 3.379 20 10 GGCDHN C[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000186055258 1431320970 /nfs/dbraw/zinc/32/09/70/1431320970.db2.gz KMHFLENUUXQJAC-HNNXBMFYSA-N 0 3 392.496 3.176 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3NC(=O)OC)c2)CC1 ZINC000187407167 1431721309 /nfs/dbraw/zinc/72/13/09/1431721309.db2.gz OMPFVYQXBMNXNH-UHFFFAOYSA-N 0 3 382.464 3.259 20 10 GGCDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000189984932 1432299865 /nfs/dbraw/zinc/29/98/65/1432299865.db2.gz VLUZGLUDLWWELE-AWEZNQCLSA-N 0 3 378.469 3.264 20 10 GGCDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000189984932 1432299870 /nfs/dbraw/zinc/29/98/70/1432299870.db2.gz VLUZGLUDLWWELE-AWEZNQCLSA-N 0 3 378.469 3.264 20 10 GGCDHN COc1ccc(N2CCCN(C[C@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193705314 1433043989 /nfs/dbraw/zinc/04/39/89/1433043989.db2.gz WPWNHPUKPOQIRL-SFHVURJKSA-N 0 3 390.911 3.301 20 10 GGCDHN N[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000237897834 1433432414 /nfs/dbraw/zinc/43/24/14/1433432414.db2.gz NRKYXAFIISHCQV-APWZRJJASA-N 0 3 389.446 3.463 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000247673881 1433746184 /nfs/dbraw/zinc/74/61/84/1433746184.db2.gz YWPRSGNLNSXVDY-MOPGFXCFSA-N 0 3 396.487 3.294 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000247673881 1433746190 /nfs/dbraw/zinc/74/61/90/1433746190.db2.gz YWPRSGNLNSXVDY-MOPGFXCFSA-N 0 3 396.487 3.294 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COCc1ccccc1F)C[C@H]1CCCO1 ZINC000255508855 1433883904 /nfs/dbraw/zinc/88/39/04/1433883904.db2.gz XZWZGGPSEUQMLF-WOJBJXKFSA-N 0 3 389.467 3.090 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COCc1ccccc1F)C[C@H]1CCCO1 ZINC000255508855 1433883905 /nfs/dbraw/zinc/88/39/05/1433883905.db2.gz XZWZGGPSEUQMLF-WOJBJXKFSA-N 0 3 389.467 3.090 20 10 GGCDHN CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000265844405 1434271732 /nfs/dbraw/zinc/27/17/32/1434271732.db2.gz ADJPCBAODVACEK-UHFFFAOYSA-N 0 3 394.519 3.462 20 10 GGCDHN CN1CCN(CCOc2ccc(NCc3c(O)cccc3Cl)cc2)CC1 ZINC000266154128 1434307025 /nfs/dbraw/zinc/30/70/25/1434307025.db2.gz LFJZCWFHOGOSRY-UHFFFAOYSA-N 0 3 375.900 3.284 20 10 GGCDHN CCCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)c([O-])c1 ZINC000266179505 1434308645 /nfs/dbraw/zinc/30/86/45/1434308645.db2.gz UPWMZOKMHQRJFV-FQEVSTJZSA-N 0 3 381.476 3.109 20 10 GGCDHN COc1ccc([C@@H](CNC(=O)NCc2cccc(OC)c2O)N2CCCC2)cc1 ZINC000266280874 1434315953 /nfs/dbraw/zinc/31/59/53/1434315953.db2.gz GJYGOHMXXXABLT-LJQANCHMSA-N 0 3 399.491 3.046 20 10 GGCDHN C[C@H](NCc1ccccc1Cn1cncn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268775338 1434556007 /nfs/dbraw/zinc/55/60/07/1434556007.db2.gz RKTRMISNEHUBAQ-KRWDZBQOSA-N 0 3 395.482 3.153 20 10 GGCDHN CC[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000268796414 1434558340 /nfs/dbraw/zinc/55/83/40/1434558340.db2.gz IKJJTGKPDHJLMG-JOCHJYFZSA-N 0 3 381.520 3.466 20 10 GGCDHN C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H](N)c3ccccc3)cc2F)C[C@@H](C)O1 ZINC000269487624 1434652957 /nfs/dbraw/zinc/65/29/57/1434652957.db2.gz IBZNLECJSOBBSS-JXXFODFXSA-N 0 3 385.483 3.146 20 10 GGCDHN COc1cccc(CN2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)c1O ZINC000271292009 1434813631 /nfs/dbraw/zinc/81/36/31/1434813631.db2.gz RRJZWLHGQGNFIW-OAHLLOKOSA-N 0 3 391.537 3.273 20 10 GGCDHN COCCOCCN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000271828859 1434853193 /nfs/dbraw/zinc/85/31/93/1434853193.db2.gz OIHSNRHSGHFEPI-UHFFFAOYSA-N 0 3 375.465 3.075 20 10 GGCDHN C[C@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273453304 1434989631 /nfs/dbraw/zinc/98/96/31/1434989631.db2.gz PFLVJXGBRFJIRU-KPZWWZAWSA-N 0 3 383.414 3.105 20 10 GGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000273889031 1435025514 /nfs/dbraw/zinc/02/55/14/1435025514.db2.gz SWGZLYOJIBCEBZ-KZNAEPCWSA-N 0 3 376.497 3.286 20 10 GGCDHN COc1c([O-])c(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512494 1435396241 /nfs/dbraw/zinc/39/62/41/1435396241.db2.gz QCUBAMVOGHYWQM-CRAIPNDOSA-N 0 3 385.464 3.309 20 10 GGCDHN COc1c([O-])c(CNc2ccc(C)cc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278873811 1435434136 /nfs/dbraw/zinc/43/41/36/1435434136.db2.gz NENWFAQHBBIKOC-UHFFFAOYSA-N 0 3 375.425 3.170 20 10 GGCDHN COc1c([O-])c(C[NH2+]C2CCN(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278947619 1435443888 /nfs/dbraw/zinc/44/38/88/1435443888.db2.gz YYRLEXQKSMECLK-UHFFFAOYSA-N 0 3 385.464 3.106 20 10 GGCDHN Cn1cc(-c2ccc(CNCc3ccc(N4CCOCC4)c(F)c3)s2)cn1 ZINC000282337718 1435843682 /nfs/dbraw/zinc/84/36/82/1435843682.db2.gz VSBPGQFTCILQBW-UHFFFAOYSA-N 0 3 386.496 3.414 20 10 GGCDHN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)c1 ZINC000283141563 1435876521 /nfs/dbraw/zinc/87/65/21/1435876521.db2.gz JCLNTTFQFBMRRR-UHFFFAOYSA-N 0 3 398.463 3.388 20 10 GGCDHN CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(OC)c(OC)cc2O)cc1 ZINC000284299616 1436011262 /nfs/dbraw/zinc/01/12/62/1436011262.db2.gz BNVFVWSAEMMKGB-ZDUSSCGKSA-N 0 3 379.478 3.054 20 10 GGCDHN c1cc(N2CCCCC2)ccc1C[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823756718 946476963 /nfs/dbraw/zinc/47/69/63/946476963.db2.gz FXEZPMKTDLGECX-UHFFFAOYSA-N 0 3 378.480 3.026 20 10 GGCDHN C[C@H]1CCCN(c2ccc(C[NH2+]C3CCN(CC(=O)[O-])CC3)cc2Cl)C1 ZINC001594388930 999472728 /nfs/dbraw/zinc/47/27/28/999472728.db2.gz KAUSJZYDZMMFMR-HNNXBMFYSA-N 0 3 379.932 3.215 20 10 GGCDHN O[C@@H]([C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000734844377 1126106810 /nfs/dbraw/zinc/10/68/10/1126106810.db2.gz XFYSLNOTFQQEGX-PMACEKPBSA-N 0 3 394.437 3.147 20 10 GGCDHN O[C@@H]([C@@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000734844378 1126106818 /nfs/dbraw/zinc/10/68/18/1126106818.db2.gz XFYSLNOTFQQEGX-UXHICEINSA-N 0 3 394.437 3.147 20 10 GGCDHN O[C@H]([C@@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000734844381 1126106853 /nfs/dbraw/zinc/10/68/53/1126106853.db2.gz XFYSLNOTFQQEGX-WOJBJXKFSA-N 0 3 394.437 3.147 20 10 GGCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1[O-] ZINC000835074929 1126111451 /nfs/dbraw/zinc/11/14/51/1126111451.db2.gz VELVEOKNNGOCAR-KRWDZBQOSA-N 0 3 394.309 3.473 20 10 GGCDHN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1OC ZINC000877830801 1126123173 /nfs/dbraw/zinc/12/31/73/1126123173.db2.gz KYJKIOCUTSEDBB-FQEVSTJZSA-N 0 3 395.883 3.155 20 10 GGCDHN COc1ccc(N2CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000083947487 536687555 /nfs/dbraw/zinc/68/75/55/536687555.db2.gz VPCYOBFJJVVVLK-JOCHJYFZSA-N 0 3 379.504 3.008 20 10 GGCDHN Cc1cc(O)c(CN2CCC(NS(=O)(=O)c3cccs3)CC2)cc1C ZINC000054358744 564603755 /nfs/dbraw/zinc/60/37/55/564603755.db2.gz FDBJIFAWQMMMDM-UHFFFAOYSA-N 0 3 380.535 3.013 20 10 GGCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000128333499 564615012 /nfs/dbraw/zinc/61/50/12/564615012.db2.gz IOLDFYLQHVIJKQ-UHFFFAOYSA-N 0 3 377.282 3.281 20 10 GGCDHN COc1cc(Br)cc(CN2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000091832292 564872358 /nfs/dbraw/zinc/87/23/58/564872358.db2.gz MYPWCSXYTMJSRT-LLVKDONJSA-N 0 3 382.258 3.234 20 10 GGCDHN O=C(CC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1)N1CCCC1 ZINC000092055467 564873857 /nfs/dbraw/zinc/87/38/57/564873857.db2.gz NYPFDYUAVMZILQ-UHFFFAOYSA-N 0 3 381.314 3.379 20 10 GGCDHN CCN1CCN(CCCC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185014297 565172100 /nfs/dbraw/zinc/17/21/00/565172100.db2.gz BDJMVEYYTAZOAP-HNNXBMFYSA-N 0 3 384.362 3.223 20 10 GGCDHN CCN1CCN(CCCC[NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185014316 565172123 /nfs/dbraw/zinc/17/21/23/565172123.db2.gz BDJMVEYYTAZOAP-OAHLLOKOSA-N 0 3 384.362 3.223 20 10 GGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1[O-] ZINC000294025136 565194725 /nfs/dbraw/zinc/19/47/25/565194725.db2.gz NUNJHOSQMKUMON-KRWDZBQOSA-N 0 3 384.314 3.120 20 10 GGCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185344764 565196204 /nfs/dbraw/zinc/19/62/04/565196204.db2.gz QDYDOCDPTIECFU-GJZGRUSLSA-N 0 3 384.362 3.079 20 10 GGCDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185345671 565197019 /nfs/dbraw/zinc/19/70/19/565197019.db2.gz JFRRSVCXTWBHCJ-CABCVRRESA-N 0 3 384.362 3.079 20 10 GGCDHN Cc1cc(Br)cc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1O ZINC000371796686 565210716 /nfs/dbraw/zinc/21/07/16/565210716.db2.gz RINFWIOYKJRWKA-CQSZACIVSA-N 0 3 384.314 3.481 20 10 GGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000372418122 565236331 /nfs/dbraw/zinc/23/63/31/565236331.db2.gz SDIAWYKGWNARIZ-TZMCWYRMSA-N 0 3 379.302 3.126 20 10 GGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000372505467 565241499 /nfs/dbraw/zinc/24/14/99/565241499.db2.gz RCMLGMLVCSSEMD-BLLLJJGKSA-N 0 3 394.313 3.380 20 10 GGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000372505478 565242107 /nfs/dbraw/zinc/24/21/07/565242107.db2.gz RCMLGMLVCSSEMD-WBMJQRKESA-N 0 3 394.313 3.380 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374076596 565318433 /nfs/dbraw/zinc/31/84/33/565318433.db2.gz FGRBSQPIYZNVKV-JKSUJKDBSA-N 0 3 396.329 3.313 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374076596 565318436 /nfs/dbraw/zinc/31/84/36/565318436.db2.gz FGRBSQPIYZNVKV-JKSUJKDBSA-N 0 3 396.329 3.313 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374076593 565318487 /nfs/dbraw/zinc/31/84/87/565318487.db2.gz FGRBSQPIYZNVKV-CVEARBPZSA-N 0 3 396.329 3.313 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374076593 565318493 /nfs/dbraw/zinc/31/84/93/565318493.db2.gz FGRBSQPIYZNVKV-CVEARBPZSA-N 0 3 396.329 3.313 20 10 GGCDHN COCCOCCOCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275396109 565408525 /nfs/dbraw/zinc/40/85/25/565408525.db2.gz ZHTPQIVQSDIFPN-CQSZACIVSA-N 0 3 390.318 3.183 20 10 GGCDHN C[C@@H](O)c1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000377616139 565489951 /nfs/dbraw/zinc/48/99/51/565489951.db2.gz OOWKCRJGXCAANX-IUODEOHRSA-N 0 3 381.929 3.310 20 10 GGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378440228 565527419 /nfs/dbraw/zinc/52/74/19/565527419.db2.gz AMCLPIROGLCEET-IRXDYDNUSA-N 0 3 394.313 3.285 20 10 GGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378440228 565527423 /nfs/dbraw/zinc/52/74/23/565527423.db2.gz AMCLPIROGLCEET-IRXDYDNUSA-N 0 3 394.313 3.285 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000173965404 565603377 /nfs/dbraw/zinc/60/33/77/565603377.db2.gz PQAMLGMBJVLZOJ-CYBMUJFWSA-N 0 3 396.329 3.171 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000173965404 565603380 /nfs/dbraw/zinc/60/33/80/565603380.db2.gz PQAMLGMBJVLZOJ-CYBMUJFWSA-N 0 3 396.329 3.171 20 10 GGCDHN COC(=O)C[C@@](C)(NCc1cc(Br)cc(C)c1O)c1ccncc1 ZINC000191904393 565641694 /nfs/dbraw/zinc/64/16/94/565641694.db2.gz IFIWVTQNWMRYQI-GOSISDBHSA-N 0 3 393.281 3.426 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCC1CC[NH+](C)CC1 ZINC000174713538 565653694 /nfs/dbraw/zinc/65/36/94/565653694.db2.gz UAFOKHIAFTYKTD-UHFFFAOYSA-N 0 3 398.345 3.418 20 10 GGCDHN CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])s1 ZINC000280557450 565680446 /nfs/dbraw/zinc/68/04/46/565680446.db2.gz KOXGIUFYJJTDOD-UHFFFAOYSA-N 0 3 390.324 3.300 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236915755 565946176 /nfs/dbraw/zinc/94/61/76/565946176.db2.gz QJJKHPQQKVNSCT-SFESLNEESA-N 0 3 381.314 3.424 20 10 GGCDHN O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179559896 565989325 /nfs/dbraw/zinc/98/93/25/565989325.db2.gz QHQOVBVASAOSPT-UHFFFAOYSA-N 0 3 390.281 3.400 20 10 GGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000180727641 566084161 /nfs/dbraw/zinc/08/41/61/566084161.db2.gz UQUDHIQXWVNEAW-DYVFJYSZSA-N 0 3 394.313 3.142 20 10 GGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000180727641 566084169 /nfs/dbraw/zinc/08/41/69/566084169.db2.gz UQUDHIQXWVNEAW-DYVFJYSZSA-N 0 3 394.313 3.142 20 10 GGCDHN Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1[O-] ZINC000367752436 566214414 /nfs/dbraw/zinc/21/44/14/566214414.db2.gz GQLQAJZONUSSGY-GVDBMIGSSA-N 0 3 383.330 3.147 20 10 GGCDHN Cc1cc(Br)cc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1O ZINC000369140236 566249932 /nfs/dbraw/zinc/24/99/32/566249932.db2.gz PYJWICHDEBLKDF-MRXNPFEDSA-N 0 3 380.286 3.132 20 10 GGCDHN COc1ccc(N2CCN(CCC(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000032870736 570864478 /nfs/dbraw/zinc/86/44/78/570864478.db2.gz CHDMQLVFGZJRBZ-UHFFFAOYSA-N 0 3 387.911 3.177 20 10 GGCDHN COc1ccc(N2CCC([NH2+][C@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000821831501 607087448 /nfs/dbraw/zinc/08/74/48/607087448.db2.gz BDZDQZDUEAGDIR-OAHLLOKOSA-N 0 3 378.480 3.195 20 10 GGCDHN COc1ccc(N2CCC([NH2+][C@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000821831501 607087450 /nfs/dbraw/zinc/08/74/50/607087450.db2.gz BDZDQZDUEAGDIR-OAHLLOKOSA-N 0 3 378.480 3.195 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)[C@H](C)c1ccc(F)cc1)cc2=O ZINC000053088942 1406286721 /nfs/dbraw/zinc/28/67/21/1406286721.db2.gz IMBRFSHRSQUOSK-CYBMUJFWSA-N 0 3 386.427 3.334 20 10 GGCDHN COc1ccc(N2CCCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1 ZINC000053773837 1406507096 /nfs/dbraw/zinc/50/70/96/1406507096.db2.gz BWLOOCSWICSJAF-UHFFFAOYSA-N 0 3 398.894 3.069 20 10 GGCDHN CN1CCCc2cc(CNCc3ccccc3OCC(=O)N3CCCC3)ccc21 ZINC000058477260 1407834952 /nfs/dbraw/zinc/83/49/52/1407834952.db2.gz BLYHUCUGEBIBCH-UHFFFAOYSA-N 0 3 393.531 3.360 20 10 GGCDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000065984306 1408767297 /nfs/dbraw/zinc/76/72/97/1408767297.db2.gz NLIVLBMVHQPHDA-UHFFFAOYSA-N 0 3 390.478 3.304 20 10 GGCDHN CCN1CCN(CCNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC000176660188 1428394508 /nfs/dbraw/zinc/39/45/08/1428394508.db2.gz DYMLKBWONARVNW-UHFFFAOYSA-N 0 3 382.552 3.078 20 10 GGCDHN CCCN(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccccc1O ZINC000068973620 1409535876 /nfs/dbraw/zinc/53/58/76/1409535876.db2.gz VPAVABQSHFLHKZ-IBGZPJMESA-N 0 3 381.520 3.247 20 10 GGCDHN CCCN(CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccccc1O ZINC000068973621 1409536347 /nfs/dbraw/zinc/53/63/47/1409536347.db2.gz VPAVABQSHFLHKZ-LJQANCHMSA-N 0 3 381.520 3.247 20 10 GGCDHN CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(N(C)C)cc2)cc1 ZINC000072727305 1409852933 /nfs/dbraw/zinc/85/29/33/1409852933.db2.gz OYBHUTDIBMIMBT-UHFFFAOYSA-N 0 3 375.538 3.073 20 10 GGCDHN CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000078483707 1409918793 /nfs/dbraw/zinc/91/87/93/1409918793.db2.gz OEQPFAPCALVOTP-UHFFFAOYSA-N 0 3 375.538 3.073 20 10 GGCDHN CCOc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1O[C@H](C)C(=O)N(C)C ZINC000091956628 1410095067 /nfs/dbraw/zinc/09/50/67/1410095067.db2.gz OSGDIJOQGSEVLM-MRXNPFEDSA-N 0 3 386.492 3.278 20 10 GGCDHN CCOc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1O[C@H](C)C(=O)N(C)C ZINC000091956628 1410095072 /nfs/dbraw/zinc/09/50/72/1410095072.db2.gz OSGDIJOQGSEVLM-MRXNPFEDSA-N 0 3 386.492 3.278 20 10 GGCDHN C[N@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)Cc1ccccc1[O-] ZINC000091974558 1410096149 /nfs/dbraw/zinc/09/61/49/1410096149.db2.gz CQBIWFVLZDAKHL-UHFFFAOYSA-N 0 3 390.911 3.389 20 10 GGCDHN C[N@@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)Cc1ccccc1[O-] ZINC000091974558 1410096156 /nfs/dbraw/zinc/09/61/56/1410096156.db2.gz CQBIWFVLZDAKHL-UHFFFAOYSA-N 0 3 390.911 3.389 20 10 GGCDHN CCOc1ccc(O)c(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000092535310 1410168647 /nfs/dbraw/zinc/16/86/47/1410168647.db2.gz LQQYKRZLNRSQIA-UHFFFAOYSA-N 0 3 386.467 3.207 20 10 GGCDHN CCCOc1ccc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c(O)c1 ZINC000092585701 1410175512 /nfs/dbraw/zinc/17/55/12/1410175512.db2.gz KWLUBTAEEUIOAV-CQSZACIVSA-N 0 3 378.494 3.021 20 10 GGCDHN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000092664328 1410183973 /nfs/dbraw/zinc/18/39/73/1410183973.db2.gz OAYMHXUMRXBVNQ-IYBDPMFKSA-N 0 3 396.373 3.145 20 10 GGCDHN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000092664328 1410183979 /nfs/dbraw/zinc/18/39/79/1410183979.db2.gz OAYMHXUMRXBVNQ-IYBDPMFKSA-N 0 3 396.373 3.145 20 10 GGCDHN Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)s1 ZINC000092673842 1410189151 /nfs/dbraw/zinc/18/91/51/1410189151.db2.gz LDMGRUUWZOOXQN-UHFFFAOYSA-N 0 3 399.560 3.288 20 10 GGCDHN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092704631 1410189935 /nfs/dbraw/zinc/18/99/35/1410189935.db2.gz FLJORKRMRBXRGO-FQEVSTJZSA-N 0 3 398.482 3.058 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COCc1cccs1)C[C@H]1CCCO1 ZINC000098072158 1410406490 /nfs/dbraw/zinc/40/64/90/1410406490.db2.gz GXLNZEBQNAHWHR-ZWKOTPCHSA-N 0 3 377.506 3.012 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COCc1cccs1)C[C@H]1CCCO1 ZINC000098072158 1410406499 /nfs/dbraw/zinc/40/64/99/1410406499.db2.gz GXLNZEBQNAHWHR-ZWKOTPCHSA-N 0 3 377.506 3.012 20 10 GGCDHN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1cc2c(cc1O)OCO2 ZINC000109350254 1411746525 /nfs/dbraw/zinc/74/65/25/1411746525.db2.gz ULBMYSLZCWLYPB-LJQANCHMSA-N 0 3 390.439 3.461 20 10 GGCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110018709 1411825393 /nfs/dbraw/zinc/82/53/93/1411825393.db2.gz LVZRSRZVHCKGGJ-UHFFFAOYSA-N 0 3 382.552 3.112 20 10 GGCDHN COc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000111232929 1411896598 /nfs/dbraw/zinc/89/65/98/1411896598.db2.gz MMAVYAHORNFXAL-FQEVSTJZSA-N 0 3 384.476 3.411 20 10 GGCDHN COc1ccc(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000111232929 1411896600 /nfs/dbraw/zinc/89/66/00/1411896600.db2.gz MMAVYAHORNFXAL-FQEVSTJZSA-N 0 3 384.476 3.411 20 10 GGCDHN CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000111391137 1411937528 /nfs/dbraw/zinc/93/75/28/1411937528.db2.gz FWXRGYUQEXRQGK-UHFFFAOYSA-N 0 3 377.282 3.293 20 10 GGCDHN CC(=O)c1cc(Cl)cc(CN2CCC(CN3CCCCC3=O)CC2)c1O ZINC000177191086 1428622997 /nfs/dbraw/zinc/62/29/97/1428622997.db2.gz XZYJTGHUTHYBRR-UHFFFAOYSA-N 0 3 378.900 3.473 20 10 GGCDHN C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000112367000 1412136072 /nfs/dbraw/zinc/13/60/72/1412136072.db2.gz BDSNPOQOMXOQHX-JXFKEZNVSA-N 0 3 383.467 3.118 20 10 GGCDHN Cc1nc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000112536810 1412165278 /nfs/dbraw/zinc/16/52/78/1412165278.db2.gz FASZXKSCTLHDNK-HUUCEWRRSA-N 0 3 388.537 3.274 20 10 GGCDHN CC(C)NS(=O)(=O)Cc1ccccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000113335381 1412293960 /nfs/dbraw/zinc/29/39/60/1412293960.db2.gz UIJGLSQXJXAKGH-UHFFFAOYSA-N 0 3 393.528 3.009 20 10 GGCDHN COc1cccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)c1O ZINC000113355167 1412297176 /nfs/dbraw/zinc/29/71/76/1412297176.db2.gz MJZQQMJBUXLVGA-UHFFFAOYSA-N 0 3 392.459 3.407 20 10 GGCDHN COc1ccc(O)c(CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000114592922 1412470228 /nfs/dbraw/zinc/47/02/28/1412470228.db2.gz RCJWHEIANOAZRU-HXUWFJFHSA-N 0 3 383.492 3.346 20 10 GGCDHN CC(C)(C[NH2+]Cc1ccccc1[O-])S(=O)(=O)c1ccc(Br)cc1 ZINC000118455124 1413162825 /nfs/dbraw/zinc/16/28/25/1413162825.db2.gz YSVKHESNQQWZCA-UHFFFAOYSA-N 0 3 398.322 3.497 20 10 GGCDHN CC[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000119081806 1413329186 /nfs/dbraw/zinc/32/91/86/1413329186.db2.gz IOHJXAOFASGKEN-OAQYLSRUSA-N 0 3 395.551 3.090 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000121040002 1413986264 /nfs/dbraw/zinc/98/62/64/1413986264.db2.gz WELFVBWUVZBTKD-ROUUACIJSA-N 0 3 391.895 3.467 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000121040002 1413986270 /nfs/dbraw/zinc/98/62/70/1413986270.db2.gz WELFVBWUVZBTKD-ROUUACIJSA-N 0 3 391.895 3.467 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COc1ccccc1Cl)C[C@H]1CCCO1 ZINC000121040179 1413986519 /nfs/dbraw/zinc/98/65/19/1413986519.db2.gz WELFVBWUVZBTKD-ZWKOTPCHSA-N 0 3 391.895 3.467 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COc1ccccc1Cl)C[C@H]1CCCO1 ZINC000121040179 1413986526 /nfs/dbraw/zinc/98/65/26/1413986526.db2.gz WELFVBWUVZBTKD-ZWKOTPCHSA-N 0 3 391.895 3.467 20 10 GGCDHN COc1cc(Br)cc(CNC(C)(C)C(=O)NCC(C)(C)C)c1O ZINC000121312376 1414080151 /nfs/dbraw/zinc/08/01/51/1414080151.db2.gz HJDBCHZBPHOJJR-UHFFFAOYSA-N 0 3 387.318 3.194 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc(C[S@@](C)=O)c3)c2)CC1 ZINC000122306188 1414419400 /nfs/dbraw/zinc/41/94/00/1414419400.db2.gz DGDNGOZPCNRVRT-NDEPHWFRSA-N 0 3 399.560 3.348 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc(-n4ccnn4)c3)c2)CC1 ZINC000122330072 1414425934 /nfs/dbraw/zinc/42/59/34/1414425934.db2.gz GSBFXAJVPIOMBV-UHFFFAOYSA-N 0 3 390.491 3.050 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)CC1 ZINC000122392073 1414444624 /nfs/dbraw/zinc/44/46/24/1414444624.db2.gz FZPZYWHVBRNGDK-UHFFFAOYSA-N 0 3 381.476 3.241 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(C(N)=S)cc3)c2)CC1 ZINC000122403006 1414447928 /nfs/dbraw/zinc/44/79/28/1414447928.db2.gz USXROZOOZFHMNA-UHFFFAOYSA-N 0 3 382.533 3.104 20 10 GGCDHN C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N1CCC(Cc2ccccc2)CC1 ZINC000122746760 1414555324 /nfs/dbraw/zinc/55/53/24/1414555324.db2.gz JIIHVJQEKCFQBN-KRWDZBQOSA-N 0 3 382.504 3.100 20 10 GGCDHN COc1ccc(N2CCC(NC(=O)N(CCN(C)C)C3CCCC3)CC2)cc1 ZINC000123954767 1414857245 /nfs/dbraw/zinc/85/72/45/1414857245.db2.gz XDCHBXFZBVLGCX-UHFFFAOYSA-N 0 3 388.556 3.180 20 10 GGCDHN C[C@@H](NCc1cccnc1-n1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177903785 1428887573 /nfs/dbraw/zinc/88/75/73/1428887573.db2.gz HBNMKKLJXWSTNP-MRXNPFEDSA-N 0 3 381.455 3.094 20 10 GGCDHN O=S(=O)([N-]c1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(F)cc1 ZINC000126586151 1415500573 /nfs/dbraw/zinc/50/05/73/1415500573.db2.gz SUKPADBOBGJZIW-UHFFFAOYSA-N 0 3 389.496 3.159 20 10 GGCDHN Cc1ccc([C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N(C)C)cc1 ZINC000126649713 1415517537 /nfs/dbraw/zinc/51/75/37/1415517537.db2.gz LDHZEEABJDKAIT-QFIPXVFZSA-N 0 3 378.520 3.473 20 10 GGCDHN COc1cc(Br)cc(CN[C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131585113 1416580066 /nfs/dbraw/zinc/58/00/66/1416580066.db2.gz UMABNYSQEAFJSB-HNNXBMFYSA-N 0 3 397.313 3.187 20 10 GGCDHN C[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000133790617 1416964009 /nfs/dbraw/zinc/96/40/09/1416964009.db2.gz JJNKBHLLLPFYME-HZPDHXFCSA-N 0 3 375.538 3.415 20 10 GGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133790427 1416964277 /nfs/dbraw/zinc/96/42/77/1416964277.db2.gz JJNKBHLLLPFYME-JKSUJKDBSA-N 0 3 375.538 3.415 20 10 GGCDHN CN(C)[C@@H](CNC(=O)NCCCSc1nccs1)Cc1ccccc1 ZINC000151695037 1418064246 /nfs/dbraw/zinc/06/42/46/1418064246.db2.gz MSOLVCHIZTXJGP-MRXNPFEDSA-N 0 3 378.567 3.097 20 10 GGCDHN C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccccc4[O-])CC3)cc2NC1=O ZINC000179568879 1429440416 /nfs/dbraw/zinc/44/04/16/1429440416.db2.gz DQPIBCYVWGJQBJ-CQSZACIVSA-N 0 3 380.444 3.207 20 10 GGCDHN CC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1ccccc1[O-] ZINC000155678347 1423482811 /nfs/dbraw/zinc/48/28/11/1423482811.db2.gz ZHMYVFPHAVFEKC-IBGZPJMESA-N 0 3 376.522 3.461 20 10 GGCDHN Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccc(N3CC=CC3)cc2)o1 ZINC000155692896 1423489006 /nfs/dbraw/zinc/48/90/06/1423489006.db2.gz ABPSOXRNZNJPHE-UHFFFAOYSA-N 0 3 382.508 3.238 20 10 GGCDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155706120 1423496535 /nfs/dbraw/zinc/49/65/35/1423496535.db2.gz ALOCHIMJBMFVRQ-UHFFFAOYSA-N 0 3 396.510 3.475 20 10 GGCDHN COc1ccc(CCC(=O)N2CCCN(Cc3cc(OC)ccc3O)CC2)cc1 ZINC000179934612 1429650421 /nfs/dbraw/zinc/65/04/21/1429650421.db2.gz FXKDSPJPWCRBFT-UHFFFAOYSA-N 0 3 398.503 3.077 20 10 GGCDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)c(C)n1-c1ccccn1 ZINC000157346016 1423990333 /nfs/dbraw/zinc/99/03/33/1423990333.db2.gz YINIBTYEPUMKHS-UHFFFAOYSA-N 0 3 392.503 3.399 20 10 GGCDHN COc1ccc(N2CCN(CC3CCN(C(=O)C(C)(C)C)CC3)CC2)cc1F ZINC000160101349 1424574575 /nfs/dbraw/zinc/57/45/75/1424574575.db2.gz OQEAKZNCDRDOLU-UHFFFAOYSA-N 0 3 391.531 3.241 20 10 GGCDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1-n1cncn1 ZINC000160171361 1424582274 /nfs/dbraw/zinc/58/22/74/1424582274.db2.gz GYDOGUFJKITHKL-HXUWFJFHSA-N 0 3 378.476 3.463 20 10 GGCDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1-n1cncn1 ZINC000160171361 1424582287 /nfs/dbraw/zinc/58/22/87/1424582287.db2.gz GYDOGUFJKITHKL-HXUWFJFHSA-N 0 3 378.476 3.463 20 10 GGCDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1-n1cncn1 ZINC000160171238 1424583049 /nfs/dbraw/zinc/58/30/49/1424583049.db2.gz GYDOGUFJKITHKL-FQEVSTJZSA-N 0 3 378.476 3.463 20 10 GGCDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1-n1cncn1 ZINC000160171238 1424583052 /nfs/dbraw/zinc/58/30/52/1424583052.db2.gz GYDOGUFJKITHKL-FQEVSTJZSA-N 0 3 378.476 3.463 20 10 GGCDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000160199820 1424586305 /nfs/dbraw/zinc/58/63/05/1424586305.db2.gz OHWXNQOYWQJPQW-FQEVSTJZSA-N 0 3 378.476 3.369 20 10 GGCDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000160199820 1424586312 /nfs/dbraw/zinc/58/63/12/1424586312.db2.gz OHWXNQOYWQJPQW-FQEVSTJZSA-N 0 3 378.476 3.369 20 10 GGCDHN CC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000161448570 1424689751 /nfs/dbraw/zinc/68/97/51/1424689751.db2.gz CHQRVVDZHSQQQS-YWZLYKJASA-N 0 3 375.538 3.463 20 10 GGCDHN CC[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N1CCOCC1 ZINC000165039387 1425158943 /nfs/dbraw/zinc/15/89/43/1425158943.db2.gz YQRQLBVOHQHGCW-LPHOPBHVSA-N 0 3 377.504 3.104 20 10 GGCDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000174426512 1427151734 /nfs/dbraw/zinc/15/17/34/1427151734.db2.gz AYIOLOZWKDNNFZ-GFCCVEGCSA-N 0 3 395.219 3.140 20 10 GGCDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000174426512 1427151736 /nfs/dbraw/zinc/15/17/36/1427151736.db2.gz AYIOLOZWKDNNFZ-GFCCVEGCSA-N 0 3 395.219 3.140 20 10 GGCDHN CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2ccccc2O)c1 ZINC000174445619 1427160084 /nfs/dbraw/zinc/16/00/84/1427160084.db2.gz VIMICHXOJWDVHK-UHFFFAOYSA-N 0 3 384.457 3.273 20 10 GGCDHN CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000176183906 1428147007 /nfs/dbraw/zinc/14/70/07/1428147007.db2.gz JMLIMVQIVRTNBW-INIZCTEOSA-N 0 3 396.491 3.344 20 10 GGCDHN CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000176183906 1428147020 /nfs/dbraw/zinc/14/70/20/1428147020.db2.gz JMLIMVQIVRTNBW-INIZCTEOSA-N 0 3 396.491 3.344 20 10 GGCDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000180413466 1429862338 /nfs/dbraw/zinc/86/23/38/1429862338.db2.gz XJBFLVBVDIUGGA-AWEZNQCLSA-N 0 3 380.485 3.413 20 10 GGCDHN COc1cccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N2CCCC2)c1 ZINC000180599063 1429923668 /nfs/dbraw/zinc/92/36/68/1429923668.db2.gz MAZGTQJDQDBUSA-LHUXKHBRSA-N 0 3 382.460 3.073 20 10 GGCDHN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181177092 1430238476 /nfs/dbraw/zinc/23/84/76/1430238476.db2.gz QNPBIYKNFZKUEN-XLIONFOSSA-N 0 3 381.524 3.257 20 10 GGCDHN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(N4CCCCC4)cc3)C2=O)n(C)n1 ZINC000181188563 1430242193 /nfs/dbraw/zinc/24/21/93/1430242193.db2.gz HRQBGRUUTDNLIN-YLJYHZDGSA-N 0 3 381.524 3.175 20 10 GGCDHN CCC[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000181778914 1430358510 /nfs/dbraw/zinc/35/85/10/1430358510.db2.gz QQBQYQKIHFLUPP-OAQYLSRUSA-N 0 3 399.510 3.410 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1 ZINC000182328657 1430449451 /nfs/dbraw/zinc/44/94/51/1430449451.db2.gz UOXBXXHWSQOPGR-INIZCTEOSA-N 0 3 394.475 3.493 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000182382094 1430456181 /nfs/dbraw/zinc/45/61/81/1430456181.db2.gz GSAREVCKWNQXNG-ZDUSSCGKSA-N 0 3 394.418 3.311 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000182397233 1430459907 /nfs/dbraw/zinc/45/99/07/1430459907.db2.gz GYJBEPHFQRGRTJ-CQSZACIVSA-N 0 3 394.475 3.493 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(N3CCCCC3)nc2)c1 ZINC000182398924 1430460152 /nfs/dbraw/zinc/46/01/52/1430460152.db2.gz GUKVCEVUCBYLNP-HNNXBMFYSA-N 0 3 384.480 3.075 20 10 GGCDHN COC(=O)c1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000182495193 1430477523 /nfs/dbraw/zinc/47/75/23/1430477523.db2.gz KXORTAJAXSMTDN-ZDUSSCGKSA-N 0 3 380.391 3.426 20 10 GGCDHN O=C(NCc1ccc(O)c(O)c1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000182527261 1430483796 /nfs/dbraw/zinc/48/37/96/1430483796.db2.gz JIPAZCKYZBWXKB-IBGZPJMESA-N 0 3 394.393 3.169 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000183129830 1430622979 /nfs/dbraw/zinc/62/29/79/1430622979.db2.gz UKIZBRRHXKFEBS-UHFFFAOYSA-N 0 3 378.476 3.475 20 10 GGCDHN C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1[O-] ZINC000183634343 1430759355 /nfs/dbraw/zinc/75/93/55/1430759355.db2.gz BTZACSSUZGJZHB-LBPRGKRZSA-N 0 3 389.395 3.415 20 10 GGCDHN COc1cc(N2CCN(Cc3cc(C)cc(C)c3O)CC2)cc(OC)c1OC ZINC000184067639 1430836939 /nfs/dbraw/zinc/83/69/39/1430836939.db2.gz DBEPYCSDBPJPCZ-UHFFFAOYSA-N 0 3 386.492 3.357 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])c2)CC1 ZINC000184258328 1430863521 /nfs/dbraw/zinc/86/35/21/1430863521.db2.gz PUJAKIDQIDYUNA-UHFFFAOYSA-N 0 3 386.427 3.437 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3OCCOC)c2)CC1 ZINC000184264902 1430864686 /nfs/dbraw/zinc/86/46/86/1430864686.db2.gz BDVGFJJVZXOVLD-UHFFFAOYSA-N 0 3 383.492 3.106 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C(=O)NC(C)C)cc3)c2)CC1 ZINC000184276036 1430866547 /nfs/dbraw/zinc/86/65/47/1430866547.db2.gz NGEXABNOPGMHNA-UHFFFAOYSA-N 0 3 394.519 3.219 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(OCCOC)c3)c2)CC1 ZINC000184280489 1430866980 /nfs/dbraw/zinc/86/69/80/1430866980.db2.gz ILECXTWTOSBTGM-UHFFFAOYSA-N 0 3 383.492 3.106 20 10 GGCDHN COc1ccc(N2CCCN(Cc3cc(-c4cnn(C)c4C)no3)CC2)cc1 ZINC000184463625 1430890751 /nfs/dbraw/zinc/89/07/51/1430890751.db2.gz YLOGSORHQMYEPH-UHFFFAOYSA-N 0 3 381.480 3.104 20 10 GGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c([O-])c1 ZINC000185136018 1431069910 /nfs/dbraw/zinc/06/99/10/1431069910.db2.gz FYVZMRWCSBTVML-INIZCTEOSA-N 0 3 376.522 3.379 20 10 GGCDHN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185136046 1431070118 /nfs/dbraw/zinc/07/01/18/1431070118.db2.gz OEKNXNFCESDJRS-AWEZNQCLSA-N 0 3 380.485 3.210 20 10 GGCDHN C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1[O-] ZINC000185178577 1431078248 /nfs/dbraw/zinc/07/82/48/1431078248.db2.gz QQWZUOPUDUQOGV-OAHLLOKOSA-N 0 3 389.446 3.060 20 10 GGCDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c([O-])c1 ZINC000185178498 1431078448 /nfs/dbraw/zinc/07/84/48/1431078448.db2.gz YZZMALRTFKGLPB-KRWDZBQOSA-N 0 3 385.483 3.229 20 10 GGCDHN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185356157 1431124695 /nfs/dbraw/zinc/12/46/95/1431124695.db2.gz JUMLKOJONGBZCY-CQSZACIVSA-N 0 3 380.485 3.210 20 10 GGCDHN Cc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)c([O-])c1 ZINC000185974655 1431302782 /nfs/dbraw/zinc/30/27/82/1431302782.db2.gz DMMSZKQXSIDOFR-QGZVFWFLSA-N 0 3 388.533 3.452 20 10 GGCDHN Cc1ccc([C@@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c([O-])c1 ZINC000186062631 1431322632 /nfs/dbraw/zinc/32/26/32/1431322632.db2.gz QOLDDDSQNUIIAI-LJQANCHMSA-N 0 3 381.520 3.480 20 10 GGCDHN C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc(F)ccc1[O-] ZINC000186709522 1431497709 /nfs/dbraw/zinc/49/77/09/1431497709.db2.gz KDZDLBNQDCNMRG-LBPRGKRZSA-N 0 3 382.432 3.061 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(F)cc4[nH]c(=S)[nH]c43)c2)CC1 ZINC000187401083 1431719448 /nfs/dbraw/zinc/71/94/48/1431719448.db2.gz UYXHKZMMTLNWTQ-UHFFFAOYSA-N 0 3 399.495 3.385 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189970264 1432293175 /nfs/dbraw/zinc/29/31/75/1432293175.db2.gz ZGBOWHFFTMWKHR-UHFFFAOYSA-N 0 3 378.476 3.475 20 10 GGCDHN COCCN(C)c1ccc(CNCc2ccc(N3CCSCC3)cc2)cn1 ZINC000190789835 1432480631 /nfs/dbraw/zinc/48/06/31/1432480631.db2.gz LQPFCWNOGACYAW-UHFFFAOYSA-N 0 3 386.565 3.007 20 10 GGCDHN CCCN(CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccccc1O ZINC000192049464 1432787200 /nfs/dbraw/zinc/78/72/00/1432787200.db2.gz GEIQSYWACJCHCG-UHFFFAOYSA-N 0 3 376.522 3.066 20 10 GGCDHN CCC[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccccc1[O-] ZINC000192049464 1432787203 /nfs/dbraw/zinc/78/72/03/1432787203.db2.gz GEIQSYWACJCHCG-UHFFFAOYSA-N 0 3 376.522 3.066 20 10 GGCDHN CCC[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccccc1[O-] ZINC000192049464 1432787206 /nfs/dbraw/zinc/78/72/06/1432787206.db2.gz GEIQSYWACJCHCG-UHFFFAOYSA-N 0 3 376.522 3.066 20 10 GGCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000192751270 1432884631 /nfs/dbraw/zinc/88/46/31/1432884631.db2.gz WNWAOLYAIRLRME-UGKGYDQZSA-N 0 3 381.520 3.126 20 10 GGCDHN C[C@@H](N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1(C)CC1 ZINC000246177131 1433578019 /nfs/dbraw/zinc/57/80/19/1433578019.db2.gz SRTWMNBJMVJESN-IXDOHACOSA-N 0 3 391.531 3.176 20 10 GGCDHN COc1cccc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O ZINC000247878357 1433754632 /nfs/dbraw/zinc/75/46/32/1433754632.db2.gz ZJFOHZKGKVTEAH-MOPGFXCFSA-N 0 3 376.884 3.216 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000248822673 1433824116 /nfs/dbraw/zinc/82/41/16/1433824116.db2.gz LNQKDAWBNVWENI-TWOQFEAHSA-N 0 3 383.492 3.282 20 10 GGCDHN COc1cccc([C@H](CNC(=O)NCc2cccc(OC)c2O)N2CCCC2)c1 ZINC000266643394 1434358090 /nfs/dbraw/zinc/35/80/90/1434358090.db2.gz COMAGHBZPHYLGT-IBGZPJMESA-N 0 3 399.491 3.046 20 10 GGCDHN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1OCC(=O)N(C)C ZINC000268851990 1434564532 /nfs/dbraw/zinc/56/45/32/1434564532.db2.gz TURBNWIKZHOZBF-MRXNPFEDSA-N 0 3 385.508 3.079 20 10 GGCDHN COc1cccc(CN2CCCN(Cc3csc([C@H](C)OC)n3)CC2)c1O ZINC000271292008 1434813594 /nfs/dbraw/zinc/81/35/94/1434813594.db2.gz RRJZWLHGQGNFIW-HNNXBMFYSA-N 0 3 391.537 3.273 20 10 GGCDHN COc1ccc(O)c(CN2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)c1 ZINC000271891978 1434857523 /nfs/dbraw/zinc/85/75/23/1434857523.db2.gz XHCKWLYYCDKVHC-OAHLLOKOSA-N 0 3 391.537 3.273 20 10 GGCDHN C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376496 1434984337 /nfs/dbraw/zinc/98/43/37/1434984337.db2.gz BLFFKZYRTDSPOL-HNAYVOBHSA-N 0 3 385.464 3.108 20 10 GGCDHN C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376496 1434984338 /nfs/dbraw/zinc/98/43/38/1434984338.db2.gz BLFFKZYRTDSPOL-HNAYVOBHSA-N 0 3 385.464 3.108 20 10 GGCDHN C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376497 1434984386 /nfs/dbraw/zinc/98/43/86/1434984386.db2.gz BLFFKZYRTDSPOL-KXBFYZLASA-N 0 3 385.464 3.108 20 10 GGCDHN C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376497 1434984389 /nfs/dbraw/zinc/98/43/89/1434984389.db2.gz BLFFKZYRTDSPOL-KXBFYZLASA-N 0 3 385.464 3.108 20 10 GGCDHN C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376494 1434984454 /nfs/dbraw/zinc/98/44/54/1434984454.db2.gz BLFFKZYRTDSPOL-DNVCBOLYSA-N 0 3 385.464 3.108 20 10 GGCDHN C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376494 1434984455 /nfs/dbraw/zinc/98/44/55/1434984455.db2.gz BLFFKZYRTDSPOL-DNVCBOLYSA-N 0 3 385.464 3.108 20 10 GGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000273623292 1435000241 /nfs/dbraw/zinc/00/02/41/1435000241.db2.gz ZUNVUUHYBDUGHH-UONOGXRCSA-N 0 3 378.494 3.063 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3Cn3cccn3)c2)CC1 ZINC000274438115 1435070857 /nfs/dbraw/zinc/07/08/57/1435070857.db2.gz DAYYVIQULHRTKL-UHFFFAOYSA-N 0 3 389.503 3.326 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(OC)c(OC)cc3OC)c2)CC1 ZINC000274445305 1435071664 /nfs/dbraw/zinc/07/16/64/1435071664.db2.gz GARNLSUBOLJFTL-UHFFFAOYSA-N 0 3 399.491 3.107 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(Cn4ccnc4)c3)c2)CC1 ZINC000274483037 1435073855 /nfs/dbraw/zinc/07/38/55/1435073855.db2.gz PFTADTIKCXCWAB-UHFFFAOYSA-N 0 3 389.503 3.326 20 10 GGCDHN CC[C@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccccc1[O-] ZINC000274861252 1435098737 /nfs/dbraw/zinc/09/87/37/1435098737.db2.gz CWYNHRRCUWFBGK-ICSRJNTNSA-N 0 3 398.503 3.307 20 10 GGCDHN CC[C@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccccc1[O-] ZINC000274861254 1435098824 /nfs/dbraw/zinc/09/88/24/1435098824.db2.gz CWYNHRRCUWFBGK-QUCCMNQESA-N 0 3 398.503 3.307 20 10 GGCDHN COc1c([O-])c(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512513 1435396201 /nfs/dbraw/zinc/39/62/01/1435396201.db2.gz QCUBAMVOGHYWQM-QAPCUYQASA-N 0 3 385.464 3.309 20 10 GGCDHN COc1c([O-])c(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512503 1435396287 /nfs/dbraw/zinc/39/62/87/1435396287.db2.gz QCUBAMVOGHYWQM-MAUKXSAKSA-N 0 3 385.464 3.309 20 10 GGCDHN COc1c([O-])c(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278932760 1435441398 /nfs/dbraw/zinc/44/13/98/1435441398.db2.gz WNPQVXUKCWCYJW-CQSZACIVSA-N 0 3 391.493 3.372 20 10 GGCDHN CC[C@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(C)cc1[O-] ZINC000280132156 1435597370 /nfs/dbraw/zinc/59/73/70/1435597370.db2.gz OZSIGPVTWIWLEV-SFHVURJKSA-N 0 3 386.492 3.417 20 10 GGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000282481787 1435848768 /nfs/dbraw/zinc/84/87/68/1435848768.db2.gz OYZMRYLXZKHLGU-OAQYLSRUSA-N 0 3 391.533 3.306 20 10 GGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000282481787 1435848769 /nfs/dbraw/zinc/84/87/69/1435848769.db2.gz OYZMRYLXZKHLGU-OAQYLSRUSA-N 0 3 391.533 3.306 20 10 GGCDHN COc1ccc(N2CCN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1F ZINC000283225646 1435880122 /nfs/dbraw/zinc/88/01/22/1435880122.db2.gz TVUAXLYQDXHWRM-SFHVURJKSA-N 0 3 397.494 3.119 20 10 GGCDHN CCN1CCN(c2ccc(CNCc3cnc(C(C)(C)C)nc3)cc2F)CC1 ZINC000284237132 1436006243 /nfs/dbraw/zinc/00/62/43/1436006243.db2.gz DVQIADPKLYCYRZ-UHFFFAOYSA-N 0 3 385.531 3.345 20 10 GGCDHN Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC(=O)N1C ZINC000284713692 1436042240 /nfs/dbraw/zinc/04/22/40/1436042240.db2.gz ZQTOSGWKCUKEKM-AUSIDOKSSA-N 0 3 390.487 3.244 20 10 GGCDHN CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428961 947189656 /nfs/dbraw/zinc/18/96/56/947189656.db2.gz WSJLDOXVUDBIHW-ZDUSSCGKSA-N 0 3 383.452 3.173 20 10 GGCDHN CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428961 947189663 /nfs/dbraw/zinc/18/96/63/947189663.db2.gz WSJLDOXVUDBIHW-ZDUSSCGKSA-N 0 3 383.452 3.173 20 10 GGCDHN C[C@@H]1CCCN(c2ccc(C[NH2+]C3CCN(CC(=O)[O-])CC3)cc2Cl)C1 ZINC001594388935 999472588 /nfs/dbraw/zinc/47/25/88/999472588.db2.gz KAUSJZYDZMMFMR-OAHLLOKOSA-N 0 3 379.932 3.215 20 10 GGCDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000155655605 565070295 /nfs/dbraw/zinc/07/02/95/565070295.db2.gz VDIACYZPLNOWPX-WMLDXEAASA-N 0 3 384.362 3.079 20 10 GGCDHN Cc1cc(C[NH2+]Cc2cc(Br)ccc2[O-])nc(N2CCCC2)n1 ZINC000292759176 565133272 /nfs/dbraw/zinc/13/32/72/565133272.db2.gz JGOOEFZWSFXKOB-UHFFFAOYSA-N 0 3 377.286 3.143 20 10 GGCDHN CC(C)[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])N1CCN(C)CC1 ZINC000184976807 565169001 /nfs/dbraw/zinc/16/90/01/565169001.db2.gz YDOLXOIGSSKZCO-YOEHRIQHSA-N 0 3 384.362 3.077 20 10 GGCDHN C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1[O-] ZINC000185491340 565203800 /nfs/dbraw/zinc/20/38/00/565203800.db2.gz NAHOFYGGVCARSM-KGLIPLIRSA-N 0 3 383.330 3.306 20 10 GGCDHN C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(Br)ccc1[O-] ZINC000185491378 565204542 /nfs/dbraw/zinc/20/45/42/565204542.db2.gz NAHOFYGGVCARSM-ZIAGYGMSSA-N 0 3 383.330 3.306 20 10 GGCDHN C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Br)cc1[O-] ZINC000185492593 565205716 /nfs/dbraw/zinc/20/57/16/565205716.db2.gz JFEZKPHRVRDLBK-ZIAGYGMSSA-N 0 3 383.330 3.306 20 10 GGCDHN CC[C@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000186426937 565260922 /nfs/dbraw/zinc/26/09/22/565260922.db2.gz YMHPAPUYLJWEDN-YOEHRIQHSA-N 0 3 384.362 3.221 20 10 GGCDHN COc1cc(Br)cc(CN2CCSC3(CCOCC3)C2)c1O ZINC000186483600 565263310 /nfs/dbraw/zinc/26/33/10/565263310.db2.gz IYAFIJJRXPKDRG-UHFFFAOYSA-N 0 3 388.327 3.261 20 10 GGCDHN CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)ccc1[O-] ZINC000373459113 565286589 /nfs/dbraw/zinc/28/65/89/565286589.db2.gz DDHXQCZJDDMBPF-CRAIPNDOSA-N 0 3 396.373 3.364 20 10 GGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(Br)ccc1[O-] ZINC000273534243 565325067 /nfs/dbraw/zinc/32/50/67/565325067.db2.gz WXLZRCCQKHURNH-BJOOFOGMSA-N 0 3 383.330 3.183 20 10 GGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1[O-] ZINC000187487384 565335797 /nfs/dbraw/zinc/33/57/97/565335797.db2.gz JWNADKASOZIIFC-GXTWGEPZSA-N 0 3 386.286 3.036 20 10 GGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000275390142 565407155 /nfs/dbraw/zinc/40/71/55/565407155.db2.gz YSGGTYFNEBRUIX-LSDHHAIUSA-N 0 3 384.362 3.140 20 10 GGCDHN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000275577455 565419189 /nfs/dbraw/zinc/41/91/89/565419189.db2.gz OUZXLAKHCABSPS-HOCLYGCPSA-N 0 3 380.286 3.299 20 10 GGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1[O-] ZINC000280921898 565703658 /nfs/dbraw/zinc/70/36/58/565703658.db2.gz HKAJCVDLOMHMLT-LLVKDONJSA-N 0 3 376.316 3.081 20 10 GGCDHN Cc1cc(Br)cc(CN[C@]2(CO)CCOc3ccccc32)c1O ZINC000282112876 565764852 /nfs/dbraw/zinc/76/48/52/565764852.db2.gz AHEDBYXPIPVPIX-SFHVURJKSA-N 0 3 378.266 3.223 20 10 GGCDHN Cc1cc(Br)cc(CN2CCC(N3CCCCC3=O)CC2)c1O ZINC000180522073 566069939 /nfs/dbraw/zinc/06/99/39/566069939.db2.gz HSEUFRNMSVYVKI-UHFFFAOYSA-N 0 3 381.314 3.440 20 10 GGCDHN COc1cc(C[NH2+]Cc2ccccc2[O-])cc(I)c1OC ZINC000263653414 566191752 /nfs/dbraw/zinc/19/17/52/566191752.db2.gz DZQVYNBBQGNLSL-UHFFFAOYSA-N 0 3 399.228 3.304 20 10 GGCDHN COc1cc(Br)cc(CN2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000368261769 566235079 /nfs/dbraw/zinc/23/50/79/566235079.db2.gz SSFRGFNOYQOXEM-IBGZPJMESA-N 0 3 392.293 3.299 20 10 GGCDHN Cc1cc(Br)cc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1O ZINC000369140235 566249928 /nfs/dbraw/zinc/24/99/28/566249928.db2.gz PYJWICHDEBLKDF-INIZCTEOSA-N 0 3 380.286 3.132 20 10 GGCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000012596104 570884617 /nfs/dbraw/zinc/88/46/17/570884617.db2.gz ZXXJYUVDCNQIKG-JOCHJYFZSA-N 0 3 379.504 3.181 20 10 GGCDHN COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000821831705 599373572 /nfs/dbraw/zinc/37/35/72/599373572.db2.gz JZRKWPGOHKMMDL-OAHLLOKOSA-N 0 3 378.480 3.195 20 10 GGCDHN COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000821831705 599373573 /nfs/dbraw/zinc/37/35/73/599373573.db2.gz JZRKWPGOHKMMDL-OAHLLOKOSA-N 0 3 378.480 3.195 20 10 GGCDHN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000022946005 1399519387 /nfs/dbraw/zinc/51/93/87/1399519387.db2.gz GWTJHNCDWMJCHV-RTBURBONSA-N 0 3 395.547 3.168 20 10 GGCDHN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C1 ZINC000022946005 1399519391 /nfs/dbraw/zinc/51/93/91/1399519391.db2.gz GWTJHNCDWMJCHV-RTBURBONSA-N 0 3 395.547 3.168 20 10 GGCDHN CCCCNC(=O)c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000066990208 1408973907 /nfs/dbraw/zinc/97/39/07/1408973907.db2.gz RKERYNHAQWCHFJ-UHFFFAOYSA-N 0 3 399.510 3.482 20 10 GGCDHN Cc1ccc(S(=O)(=O)NCCNCc2ccc(N3CCCCC3)cc2)cc1 ZINC000067450459 1409121538 /nfs/dbraw/zinc/12/15/38/1409121538.db2.gz AYFCZVLXYMUHGB-UHFFFAOYSA-N 0 3 387.549 3.053 20 10 GGCDHN CCCN(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccccc1O ZINC000068973598 1409535619 /nfs/dbraw/zinc/53/56/19/1409535619.db2.gz GRVFJCIWYDZXQC-OAQYLSRUSA-N 0 3 386.467 3.343 20 10 GGCDHN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092704632 1410190233 /nfs/dbraw/zinc/19/02/33/1410190233.db2.gz FLJORKRMRBXRGO-HXUWFJFHSA-N 0 3 398.482 3.058 20 10 GGCDHN COCCc1nc(C)c([C@@H](C)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000092740484 1410196899 /nfs/dbraw/zinc/19/68/99/1410196899.db2.gz MQFHVEWLLVSFEY-OAHLLOKOSA-N 0 3 375.538 3.328 20 10 GGCDHN CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000093320978 1410234441 /nfs/dbraw/zinc/23/44/41/1410234441.db2.gz QDFLJJJKHYLMIG-UHFFFAOYSA-N 0 3 388.533 3.305 20 10 GGCDHN COc1ccc([C@@H](CO)N(C)Cc2cc(Br)cc(OC)c2O)cc1 ZINC000093415340 1410244282 /nfs/dbraw/zinc/24/42/82/1410244282.db2.gz WJSOFFNMWUZGKJ-MRXNPFEDSA-N 0 3 396.281 3.337 20 10 GGCDHN O=[N+]([O-])c1cc(Cl)cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1[O-] ZINC000093734989 1410262047 /nfs/dbraw/zinc/26/20/47/1410262047.db2.gz WHZQPZXBUHGFTA-UHFFFAOYSA-N 0 3 383.876 3.031 20 10 GGCDHN CN(Cc1cc2c(cc1O)OCO2)[C@@H](CO)c1cccc(Br)c1 ZINC000093815635 1410270597 /nfs/dbraw/zinc/27/05/97/1410270597.db2.gz NPATTYCDHNALBG-AWEZNQCLSA-N 0 3 380.238 3.049 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000103509079 1410864792 /nfs/dbraw/zinc/86/47/92/1410864792.db2.gz MDBGUCFUAHFXDF-INIZCTEOSA-N 0 3 383.492 3.209 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000103512851 1410865344 /nfs/dbraw/zinc/86/53/44/1410865344.db2.gz XRJVYADLSRCYLJ-AEFFLSMTSA-N 0 3 383.492 3.426 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1ccc(F)cc1)C1CCC1)cc2=O ZINC000104703167 1410934299 /nfs/dbraw/zinc/93/42/99/1410934299.db2.gz RCFUVOPIAUIYHG-LJQANCHMSA-N 0 3 398.438 3.382 20 10 GGCDHN Nc1ccc(F)c(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000177064792 1428575007 /nfs/dbraw/zinc/57/50/07/1428575007.db2.gz BNFCKSNSYXAJJQ-QGZVFWFLSA-N 0 3 387.455 3.123 20 10 GGCDHN Nc1ccc(F)c(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000177064792 1428575013 /nfs/dbraw/zinc/57/50/13/1428575013.db2.gz BNFCKSNSYXAJJQ-QGZVFWFLSA-N 0 3 387.455 3.123 20 10 GGCDHN CCCN(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccccc1O ZINC000110079418 1411830331 /nfs/dbraw/zinc/83/03/31/1411830331.db2.gz WYAJGRGZPLMDQY-UHFFFAOYSA-N 0 3 385.483 3.092 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000111608352 1412001628 /nfs/dbraw/zinc/00/16/28/1412001628.db2.gz LDXYMXRGMQGYJY-GOSISDBHSA-N 0 3 397.519 3.180 20 10 GGCDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000112922893 1412242609 /nfs/dbraw/zinc/24/26/09/1412242609.db2.gz NJDUAYVICPKNOY-GOSISDBHSA-N 0 3 382.552 3.098 20 10 GGCDHN CCN(CC)[C@@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccsc1 ZINC000114587085 1412468221 /nfs/dbraw/zinc/46/82/21/1412468221.db2.gz AXQCEXZQTNVNFS-KRWDZBQOSA-N 0 3 377.510 3.345 20 10 GGCDHN COc1ccc(O)c(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000114589090 1412468712 /nfs/dbraw/zinc/46/87/12/1412468712.db2.gz ZAPROKJWNVWYIF-UHFFFAOYSA-N 0 3 383.492 3.037 20 10 GGCDHN Cc1cc(N(C)C)ccc1CNCc1ccccc1OCC(=O)N1CCCC1 ZINC000115629575 1412738669 /nfs/dbraw/zinc/73/86/69/1412738669.db2.gz LUQNDDIICDVLSH-UHFFFAOYSA-N 0 3 381.520 3.352 20 10 GGCDHN CN1CCCc2cc(CNCc3ccccc3OCC(=O)NCC3CC3)ccc21 ZINC000116337251 1412851182 /nfs/dbraw/zinc/85/11/82/1412851182.db2.gz QYSHUDXHGUVMLM-UHFFFAOYSA-N 0 3 393.531 3.264 20 10 GGCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000116392731 1412854207 /nfs/dbraw/zinc/85/42/07/1412854207.db2.gz SVHJABDPRVUAKE-NRFANRHFSA-N 0 3 378.520 3.210 20 10 GGCDHN CCN(C)c1ccc([C@@H](C)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 ZINC000119054742 1413319122 /nfs/dbraw/zinc/31/91/22/1413319122.db2.gz GOQXLEVHNGKOCT-QGZVFWFLSA-N 0 3 395.551 3.090 20 10 GGCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000119287553 1413399969 /nfs/dbraw/zinc/39/99/69/1413399969.db2.gz NAKOSYVRTKKQIL-UZLBHIALSA-N 0 3 396.447 3.121 20 10 GGCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000119287553 1413399975 /nfs/dbraw/zinc/39/99/75/1413399975.db2.gz NAKOSYVRTKKQIL-UZLBHIALSA-N 0 3 396.447 3.121 20 10 GGCDHN COc1ccc([C@H](CCO)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000120397370 1413809328 /nfs/dbraw/zinc/80/93/28/1413809328.db2.gz LMIUUTNIMYVPSZ-KKSFZXQISA-N 0 3 388.483 3.445 20 10 GGCDHN C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000120787076 1413902682 /nfs/dbraw/zinc/90/26/82/1413902682.db2.gz KLCIQZYHRUANJW-SFHVURJKSA-N 0 3 388.556 3.100 20 10 GGCDHN C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000120787253 1413902746 /nfs/dbraw/zinc/90/27/46/1413902746.db2.gz KLCIQZYHRUANJW-GOSISDBHSA-N 0 3 388.556 3.100 20 10 GGCDHN Cc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000121991796 1414333891 /nfs/dbraw/zinc/33/38/91/1414333891.db2.gz FJQYAJPXLCRCHZ-QGZVFWFLSA-N 0 3 382.552 3.016 20 10 GGCDHN C[C@H](C(=O)NCCc1ccc(O)c(O)c1)N1CCC(Cc2ccccc2)CC1 ZINC000122747025 1414555228 /nfs/dbraw/zinc/55/52/28/1414555228.db2.gz JIIHVJQEKCFQBN-QGZVFWFLSA-N 0 3 382.504 3.100 20 10 GGCDHN Cc1cc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000123727531 1414816109 /nfs/dbraw/zinc/81/61/09/1414816109.db2.gz WDQQCOOSTMZTQK-HDICACEKSA-N 0 3 384.524 3.108 20 10 GGCDHN Cc1nn(C)c(N2CCOCC2)c1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000124088985 1414883199 /nfs/dbraw/zinc/88/31/99/1414883199.db2.gz XLPXIDWUPDDKES-UHFFFAOYSA-N 0 3 384.524 3.216 20 10 GGCDHN Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000124088985 1414883202 /nfs/dbraw/zinc/88/32/02/1414883202.db2.gz XLPXIDWUPDDKES-UHFFFAOYSA-N 0 3 384.524 3.216 20 10 GGCDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000124359142 1414948596 /nfs/dbraw/zinc/94/85/96/1414948596.db2.gz XFQZTNHLKIGTII-GOSISDBHSA-N 0 3 399.457 3.033 20 10 GGCDHN CN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000126117160 1415362030 /nfs/dbraw/zinc/36/20/30/1415362030.db2.gz FUYYZAHQTHTMKV-UHFFFAOYSA-N 0 3 393.531 3.391 20 10 GGCDHN CN(C)S(=O)(=O)c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1 ZINC000126261358 1415397095 /nfs/dbraw/zinc/39/70/95/1415397095.db2.gz RVLAKBOMXRNGIC-UHFFFAOYSA-N 0 3 387.549 3.217 20 10 GGCDHN C[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000177981300 1428913888 /nfs/dbraw/zinc/91/38/88/1428913888.db2.gz AYILIWQXLITHNR-GOSISDBHSA-N 0 3 379.504 3.153 20 10 GGCDHN Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000126601304 1415503899 /nfs/dbraw/zinc/50/38/99/1415503899.db2.gz BQFGACWZOQMMOJ-UHFFFAOYSA-N 0 3 385.533 3.328 20 10 GGCDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N(C)C)cc1 ZINC000126649509 1415517636 /nfs/dbraw/zinc/51/76/36/1415517636.db2.gz LDHZEEABJDKAIT-JOCHJYFZSA-N 0 3 378.520 3.473 20 10 GGCDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000132053454 1416683460 /nfs/dbraw/zinc/68/34/60/1416683460.db2.gz LGWMGJJQEAFMIP-SFHVURJKSA-N 0 3 378.266 3.087 20 10 GGCDHN C[C@H](NCc1ccc(-n2cncn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178743849 1429158958 /nfs/dbraw/zinc/15/89/58/1429158958.db2.gz SOYIHGWDMYGJEP-INIZCTEOSA-N 0 3 381.455 3.094 20 10 GGCDHN C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000141825861 1417558755 /nfs/dbraw/zinc/55/87/55/1417558755.db2.gz SJPDBQIQDVSJHF-QGZVFWFLSA-N 0 3 382.508 3.468 20 10 GGCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000151581464 1418031556 /nfs/dbraw/zinc/03/15/56/1418031556.db2.gz RBHMIEXTASDTBH-CBZJRKILSA-N 0 3 386.561 3.484 20 10 GGCDHN C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccccc4[O-])CC3)cc2NC1=O ZINC000179568890 1429440470 /nfs/dbraw/zinc/44/04/70/1429440470.db2.gz DQPIBCYVWGJQBJ-AWEZNQCLSA-N 0 3 380.444 3.207 20 10 GGCDHN Cc1cccc(C(C)(C)NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000179593253 1429459293 /nfs/dbraw/zinc/45/92/93/1429459293.db2.gz ZIGXLJUDKTUNEG-UHFFFAOYSA-N 0 3 399.510 3.112 20 10 GGCDHN CCS(=O)(=O)NCCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179644274 1429486242 /nfs/dbraw/zinc/48/62/42/1429486242.db2.gz URBDENWEWPZCQT-QGZVFWFLSA-N 0 3 376.522 3.285 20 10 GGCDHN CCS(=O)(=O)NCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179644274 1429486248 /nfs/dbraw/zinc/48/62/48/1429486248.db2.gz URBDENWEWPZCQT-QGZVFWFLSA-N 0 3 376.522 3.285 20 10 GGCDHN CN(C)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1 ZINC000152933349 1422301051 /nfs/dbraw/zinc/30/10/51/1422301051.db2.gz WSYRXZZZOQJSSF-JOCHJYFZSA-N 0 3 378.520 3.035 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000153948868 1422815771 /nfs/dbraw/zinc/81/57/71/1422815771.db2.gz FGSFJFQMEBQWER-GOSISDBHSA-N 0 3 397.519 3.099 20 10 GGCDHN COc1cccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O ZINC000154339059 1422875020 /nfs/dbraw/zinc/87/50/20/1422875020.db2.gz ZJFOHZKGKVTEAH-RBUKOAKNSA-N 0 3 376.884 3.216 20 10 GGCDHN CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccccc1[O-] ZINC000155305622 1423309497 /nfs/dbraw/zinc/30/94/97/1423309497.db2.gz BZGHYKHPWCVXGP-IBGZPJMESA-N 0 3 376.522 3.461 20 10 GGCDHN CC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccccc1[O-] ZINC000155305724 1423310207 /nfs/dbraw/zinc/31/02/07/1423310207.db2.gz BZGHYKHPWCVXGP-LJQANCHMSA-N 0 3 376.522 3.461 20 10 GGCDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155670918 1423479296 /nfs/dbraw/zinc/47/92/96/1423479296.db2.gz MKQIVDUTBJYTLN-UHFFFAOYSA-N 0 3 396.510 3.475 20 10 GGCDHN CCNC(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000156492697 1423818124 /nfs/dbraw/zinc/81/81/24/1423818124.db2.gz LZMCEONHEIFUOY-INIZCTEOSA-N 0 3 385.483 3.263 20 10 GGCDHN CC(C)n1ncc2cc(CN(C)Cc3ccc(N4CCOCC4)cc3)cnc21 ZINC000157569580 1424039402 /nfs/dbraw/zinc/03/94/02/1424039402.db2.gz MSDHNVMFTSZKSZ-UHFFFAOYSA-N 0 3 379.508 3.481 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CNC(C)(C)c1ccc(CC)cc1)cc2=O ZINC000180098681 1429737765 /nfs/dbraw/zinc/73/77/65/1429737765.db2.gz LZNAIBKEQPPDHK-UHFFFAOYSA-N 0 3 382.464 3.199 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000160256807 1424590813 /nfs/dbraw/zinc/59/08/13/1424590813.db2.gz QERSECUMWVYYET-SOLBZPMBSA-N 0 3 383.492 3.424 20 10 GGCDHN CN(C)CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCC1 ZINC000160921475 1424644916 /nfs/dbraw/zinc/64/49/16/1424644916.db2.gz AYFAATTWDBBSKN-UHFFFAOYSA-N 0 3 390.597 3.256 20 10 GGCDHN C[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000161519510 1424698954 /nfs/dbraw/zinc/69/89/54/1424698954.db2.gz GMDGZZQMYUFPRY-HZPDHXFCSA-N 0 3 375.538 3.415 20 10 GGCDHN Cn1ncc2c1CCC[C@H]2NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163415187 1424994320 /nfs/dbraw/zinc/99/43/20/1424994320.db2.gz TXUWOZKCNSQGRR-GOSISDBHSA-N 0 3 394.441 3.443 20 10 GGCDHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163415317 1424994338 /nfs/dbraw/zinc/99/43/38/1424994338.db2.gz TXUWOZKCNSQGRR-SFHVURJKSA-N 0 3 394.441 3.443 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000165188051 1425169262 /nfs/dbraw/zinc/16/92/62/1425169262.db2.gz YNGRLNSRPDBBNW-PVPMGCCUSA-N 0 3 376.497 3.251 20 10 GGCDHN CCO[C@@H](C)c1noc(CN2CCN(Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000173383004 1426557582 /nfs/dbraw/zinc/55/75/82/1426557582.db2.gz BHVUYBGVGAEFJQ-INIZCTEOSA-N 0 3 396.491 3.344 20 10 GGCDHN CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000173383004 1426557614 /nfs/dbraw/zinc/55/76/14/1426557614.db2.gz BHVUYBGVGAEFJQ-INIZCTEOSA-N 0 3 396.491 3.344 20 10 GGCDHN CCCN(Cc1ccccc1O)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000173902921 1426885900 /nfs/dbraw/zinc/88/59/00/1426885900.db2.gz RVYGCTTXGLRDII-MRXNPFEDSA-N 0 3 388.489 3.258 20 10 GGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176056350 1428055711 /nfs/dbraw/zinc/05/57/11/1428055711.db2.gz LXNOKYMQBIDBPA-UHFFFAOYSA-N 0 3 396.535 3.110 20 10 GGCDHN O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000180556435 1429897037 /nfs/dbraw/zinc/89/70/37/1429897037.db2.gz ZMHRDNZTBYFZPJ-SFHVURJKSA-N 0 3 388.533 3.372 20 10 GGCDHN O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000180556435 1429897038 /nfs/dbraw/zinc/89/70/38/1429897038.db2.gz ZMHRDNZTBYFZPJ-SFHVURJKSA-N 0 3 388.533 3.372 20 10 GGCDHN COc1cccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N2CCCC2)c1 ZINC000180599074 1429923710 /nfs/dbraw/zinc/92/37/10/1429923710.db2.gz MAZGTQJDQDBUSA-RQMBKDMJSA-N 0 3 382.460 3.073 20 10 GGCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181179277 1430239757 /nfs/dbraw/zinc/23/97/57/1430239757.db2.gz GAELJDADZUBQLL-NZQKXSOJSA-N 0 3 395.547 3.469 20 10 GGCDHN C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181250639 1430256725 /nfs/dbraw/zinc/25/67/25/1430256725.db2.gz GTYIFOOAWJBNCN-PVPMGCCUSA-N 0 3 376.497 3.251 20 10 GGCDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000181291407 1430264677 /nfs/dbraw/zinc/26/46/77/1430264677.db2.gz IXGVZYVEICCDGI-LJQANCHMSA-N 0 3 378.520 3.383 20 10 GGCDHN CC[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C)cc1 ZINC000181699415 1430343801 /nfs/dbraw/zinc/34/38/01/1430343801.db2.gz MDFYKMPFXPAWDL-OAQYLSRUSA-N 0 3 399.510 3.328 20 10 GGCDHN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(N2CCCC2)c1 ZINC000181867885 1430374373 /nfs/dbraw/zinc/37/43/73/1430374373.db2.gz WLIUFUVQYGATHI-SFHVURJKSA-N 0 3 380.536 3.320 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCc2nc3ccccc3s2)c1 ZINC000182397575 1430459730 /nfs/dbraw/zinc/45/97/30/1430459730.db2.gz QDRRHGWYEYNUBR-ZDUSSCGKSA-N 0 3 385.489 3.020 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000182404277 1430461461 /nfs/dbraw/zinc/46/14/61/1430461461.db2.gz GAENNFSUELNLNN-JTQLQIEISA-N 0 3 375.425 3.439 20 10 GGCDHN COc1ccc(CN(C(=O)CN[C@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182443302 1430468516 /nfs/dbraw/zinc/46/85/16/1430468516.db2.gz ZAYNVISMOXJLFF-OAHLLOKOSA-N 0 3 384.476 3.251 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(Cc2ccco2)CC(F)(F)F)c1 ZINC000182458909 1430471215 /nfs/dbraw/zinc/47/12/15/1430471215.db2.gz NFMMKQGJMGCIKV-GFCCVEGCSA-N 0 3 386.370 3.236 20 10 GGCDHN COc1ccc([C@H](NC(=O)CN[C@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182462996 1430471868 /nfs/dbraw/zinc/47/18/68/1430471868.db2.gz NJPTVFHJDBWCKJ-JLCFBVMHSA-N 0 3 384.476 3.328 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000183128881 1430623108 /nfs/dbraw/zinc/62/31/08/1430623108.db2.gz XMOJRCJLRFDSKY-IBGZPJMESA-N 0 3 378.476 3.475 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000183128881 1430623115 /nfs/dbraw/zinc/62/31/15/1430623115.db2.gz XMOJRCJLRFDSKY-IBGZPJMESA-N 0 3 378.476 3.475 20 10 GGCDHN CC[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000183331195 1430681158 /nfs/dbraw/zinc/68/11/58/1430681158.db2.gz BUAFUBMBOWTVAC-FQEVSTJZSA-N 0 3 385.483 3.311 20 10 GGCDHN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000183563562 1430742946 /nfs/dbraw/zinc/74/29/46/1430742946.db2.gz VGMSCPRTAQWVGZ-SFHVURJKSA-N 0 3 391.519 3.248 20 10 GGCDHN C[C@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183730698 1430782718 /nfs/dbraw/zinc/78/27/18/1430782718.db2.gz ZEBBTHQNMNLBDI-INIZCTEOSA-N 0 3 399.466 3.470 20 10 GGCDHN COc1cc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)cc(OC)c1OC ZINC000184067907 1430836915 /nfs/dbraw/zinc/83/69/15/1430836915.db2.gz FLNLMJQVWXCGQS-UHFFFAOYSA-N 0 3 386.492 3.357 20 10 GGCDHN Cc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000184079263 1430838533 /nfs/dbraw/zinc/83/85/33/1430838533.db2.gz LOULGWYLXXSUCD-SFHVURJKSA-N 0 3 382.552 3.158 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(N4CCCC4=O)c3)c2)CC1 ZINC000184260006 1430863734 /nfs/dbraw/zinc/86/37/34/1430863734.db2.gz MCCDNENACHTDFT-UHFFFAOYSA-N 0 3 392.503 3.208 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(-n4cccn4)c(F)c3)c2)CC1 ZINC000184274940 1430866180 /nfs/dbraw/zinc/86/61/80/1430866180.db2.gz CSPVRWWOLCUMNA-UHFFFAOYSA-N 0 3 393.466 3.406 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)NCc3ccc(N(C)C)cc3)c2)CC1 ZINC000184904445 1431017792 /nfs/dbraw/zinc/01/77/92/1431017792.db2.gz NOOQKLHQRJTOOW-UHFFFAOYSA-N 0 3 381.524 3.216 20 10 GGCDHN Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)cc1 ZINC000184962031 1431031829 /nfs/dbraw/zinc/03/18/29/1431031829.db2.gz YVZGPCUIBSARSJ-OAHLLOKOSA-N 0 3 392.496 3.344 20 10 GGCDHN C[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000186055275 1431320787 /nfs/dbraw/zinc/32/07/87/1431320787.db2.gz KMHFLENUUXQJAC-OAHLLOKOSA-N 0 3 392.496 3.176 20 10 GGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c([O-])c1 ZINC000186055176 1431320798 /nfs/dbraw/zinc/32/07/98/1431320798.db2.gz CCNDUDZNQAQKMI-QGZVFWFLSA-N 0 3 388.533 3.346 20 10 GGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c([O-])c1 ZINC000186055195 1431320884 /nfs/dbraw/zinc/32/08/84/1431320884.db2.gz CCNDUDZNQAQKMI-KRWDZBQOSA-N 0 3 388.533 3.346 20 10 GGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c([O-])c1 ZINC000186704923 1431496830 /nfs/dbraw/zinc/49/68/30/1431496830.db2.gz ZKYAHFJHZHPEFL-AWEZNQCLSA-N 0 3 378.469 3.230 20 10 GGCDHN COc1cccc(CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1O ZINC000187481235 1431744810 /nfs/dbraw/zinc/74/48/10/1431744810.db2.gz QOUCKKULYPBPNV-LJQANCHMSA-N 0 3 385.508 3.357 20 10 GGCDHN CC(C)N(C)c1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000190857371 1432510411 /nfs/dbraw/zinc/51/04/11/1432510411.db2.gz QQKANSWSFCUEDL-UHFFFAOYSA-N 0 3 386.515 3.316 20 10 GGCDHN CC(C)N(C)c1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000190857622 1432510470 /nfs/dbraw/zinc/51/04/70/1432510470.db2.gz VKEZDBYCONPFOQ-UHFFFAOYSA-N 0 3 382.552 3.425 20 10 GGCDHN CN(C)Cc1cccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000193006389 1432921134 /nfs/dbraw/zinc/92/11/34/1432921134.db2.gz LTJYGRDNWYFWHY-UHFFFAOYSA-N 0 3 382.508 3.249 20 10 GGCDHN CN(Cc1ccccc1O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000193418861 1432995082 /nfs/dbraw/zinc/99/50/82/1432995082.db2.gz IKNVEOHXELUYOS-UHFFFAOYSA-N 0 3 396.535 3.136 20 10 GGCDHN COc1ccc(N2CCCN(C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)cc1 ZINC000193606206 1433027592 /nfs/dbraw/zinc/02/75/92/1433027592.db2.gz GJSBFCUCGXAYJF-QFIPXVFZSA-N 0 3 396.535 3.220 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COCc1ccccc1F)C[C@@H]1CCCO1 ZINC000216396773 1433363530 /nfs/dbraw/zinc/36/35/30/1433363530.db2.gz XZWZGGPSEUQMLF-UXHICEINSA-N 0 3 389.467 3.090 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COCc1ccccc1F)C[C@@H]1CCCO1 ZINC000216396773 1433363532 /nfs/dbraw/zinc/36/35/32/1433363532.db2.gz XZWZGGPSEUQMLF-UXHICEINSA-N 0 3 389.467 3.090 20 10 GGCDHN CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1 ZINC000236836709 1433380599 /nfs/dbraw/zinc/38/05/99/1433380599.db2.gz XGZLXESHCKOBAV-HNNXBMFYSA-N 0 3 392.521 3.282 20 10 GGCDHN COc1ccc(O)c(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000245835350 1433523623 /nfs/dbraw/zinc/52/36/23/1433523623.db2.gz CKFORHDKUBHARJ-PMACEKPBSA-N 0 3 376.884 3.216 20 10 GGCDHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1c1ccccc1 ZINC000246675589 1433648308 /nfs/dbraw/zinc/64/83/08/1433648308.db2.gz JQVPMCWWMZJDPR-WOJBJXKFSA-N 0 3 382.460 3.399 20 10 GGCDHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1c1ccccc1 ZINC000246675589 1433648310 /nfs/dbraw/zinc/64/83/10/1433648310.db2.gz JQVPMCWWMZJDPR-WOJBJXKFSA-N 0 3 382.460 3.399 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C[C@H]1CCCO1 ZINC000247673884 1433746057 /nfs/dbraw/zinc/74/60/57/1433746057.db2.gz YWPRSGNLNSXVDY-RTBURBONSA-N 0 3 396.487 3.294 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C[C@H]1CCCO1 ZINC000247673884 1433746058 /nfs/dbraw/zinc/74/60/58/1433746058.db2.gz YWPRSGNLNSXVDY-RTBURBONSA-N 0 3 396.487 3.294 20 10 GGCDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000248763148 1433820952 /nfs/dbraw/zinc/82/09/52/1433820952.db2.gz GSQYIKPTCIJWAT-WMZHIEFXSA-N 0 3 390.531 3.383 20 10 GGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1c(OC)cccc1OC ZINC000263909026 1434047929 /nfs/dbraw/zinc/04/79/29/1434047929.db2.gz JJXMVWPFNRTTSA-QGZVFWFLSA-N 0 3 375.465 3.061 20 10 GGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1c(OC)cccc1OC ZINC000263909026 1434047930 /nfs/dbraw/zinc/04/79/30/1434047930.db2.gz JJXMVWPFNRTTSA-QGZVFWFLSA-N 0 3 375.465 3.061 20 10 GGCDHN COc1cccc([C@@H](CNC(=O)NCc2cccc(OC)c2O)N2CCCC2)c1 ZINC000266643395 1434358017 /nfs/dbraw/zinc/35/80/17/1434358017.db2.gz COMAGHBZPHYLGT-LJQANCHMSA-N 0 3 399.491 3.046 20 10 GGCDHN C[C@@H](NCc1ccccc1Cn1cncn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268775340 1434555871 /nfs/dbraw/zinc/55/58/71/1434555871.db2.gz RKTRMISNEHUBAQ-QGZVFWFLSA-N 0 3 395.482 3.153 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(N2CCOCC2)c1 ZINC000268898289 1434568759 /nfs/dbraw/zinc/56/87/59/1434568759.db2.gz VXTCSLUTCYMWOY-GOSISDBHSA-N 0 3 399.510 3.350 20 10 GGCDHN O=C(C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1)N1CCOCC1 ZINC000271050236 1434798798 /nfs/dbraw/zinc/79/87/98/1434798798.db2.gz UVUANNYGCQFQJU-UHFFFAOYSA-N 0 3 380.488 3.130 20 10 GGCDHN O=C(Nc1ccc(F)cc1)NC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000271128595 1434803776 /nfs/dbraw/zinc/80/37/76/1434803776.db2.gz MIVVGRIYUGQLPI-UHFFFAOYSA-N 0 3 387.411 3.046 20 10 GGCDHN COc1cc(O)c(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1OC ZINC000271714530 1434845744 /nfs/dbraw/zinc/84/57/44/1434845744.db2.gz HZSSMAVBNCKOMD-UHFFFAOYSA-N 0 3 385.464 3.196 20 10 GGCDHN COc1ccc([C@H](CN2CCCC2)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000272575512 1434909745 /nfs/dbraw/zinc/90/97/45/1434909745.db2.gz DJKKTZALJLXRJU-RXERPNITSA-N 0 3 382.460 3.073 20 10 GGCDHN C[C@@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273453307 1434989871 /nfs/dbraw/zinc/98/98/71/1434989871.db2.gz PFLVJXGBRFJIRU-XIKOKIGWSA-N 0 3 383.414 3.105 20 10 GGCDHN COc1cc(Cl)cc(CNCc2ccnc(OC3CCOCC3)c2)c1O ZINC000273706840 1435006829 /nfs/dbraw/zinc/00/68/29/1435006829.db2.gz FLFIGKLBSBJCNF-UHFFFAOYSA-N 0 3 378.856 3.297 20 10 GGCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1[O-] ZINC000273706840 1435006830 /nfs/dbraw/zinc/00/68/30/1435006830.db2.gz FLFIGKLBSBJCNF-UHFFFAOYSA-N 0 3 378.856 3.297 20 10 GGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000273889023 1435025450 /nfs/dbraw/zinc/02/54/50/1435025450.db2.gz SWGZLYOJIBCEBZ-FGTMMUONSA-N 0 3 376.497 3.286 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(-c4nnc(C)o4)cc3)c2)CC1 ZINC000274441099 1435071145 /nfs/dbraw/zinc/07/11/45/1435071145.db2.gz DSGMYBYYPSHRHG-UHFFFAOYSA-N 0 3 391.475 3.439 20 10 GGCDHN COc1cc(Cl)cc(CN2CCC(c3nnc4n3CCCC4)CC2)c1O ZINC000274905136 1435102773 /nfs/dbraw/zinc/10/27/73/1435102773.db2.gz IEKIONGCXUDWRN-UHFFFAOYSA-N 0 3 376.888 3.362 20 10 GGCDHN COc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1[O-] ZINC000274905136 1435102774 /nfs/dbraw/zinc/10/27/74/1435102774.db2.gz IEKIONGCXUDWRN-UHFFFAOYSA-N 0 3 376.888 3.362 20 10 GGCDHN Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000275657657 1435157118 /nfs/dbraw/zinc/15/71/18/1435157118.db2.gz USVAEURXPNSTEI-FPOVZHCZSA-N 0 3 379.460 3.325 20 10 GGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000282481784 1435848798 /nfs/dbraw/zinc/84/87/98/1435848798.db2.gz OYZMRYLXZKHLGU-NRFANRHFSA-N 0 3 391.533 3.306 20 10 GGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000282481784 1435848800 /nfs/dbraw/zinc/84/88/00/1435848800.db2.gz OYZMRYLXZKHLGU-NRFANRHFSA-N 0 3 391.533 3.306 20 10 GGCDHN COc1ccc(N2CCN(C[C@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1F ZINC000283225644 1435880199 /nfs/dbraw/zinc/88/01/99/1435880199.db2.gz TVUAXLYQDXHWRM-GOSISDBHSA-N 0 3 397.494 3.119 20 10 GGCDHN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccc(C)cc1[O-] ZINC000284504564 1436026662 /nfs/dbraw/zinc/02/66/62/1436026662.db2.gz AWZUANWORNRUIX-NJNPRVFISA-N 0 3 382.508 3.370 20 10 GGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824616896 946864322 /nfs/dbraw/zinc/86/43/22/946864322.db2.gz ANVRJLQMZRCMII-OAHLLOKOSA-N 0 3 380.521 3.271 20 10 GGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824616896 946864333 /nfs/dbraw/zinc/86/43/33/946864333.db2.gz ANVRJLQMZRCMII-OAHLLOKOSA-N 0 3 380.521 3.271 20 10 GGCDHN O[C@H]([C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000734844380 1126106779 /nfs/dbraw/zinc/10/67/79/1126106779.db2.gz XFYSLNOTFQQEGX-VQTJNVASSA-N 0 3 394.437 3.147 20 10 GGCDHN CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(Br)ccc1[O-] ZINC000155122686 565062155 /nfs/dbraw/zinc/06/21/55/565062155.db2.gz MVWJCJVAKHHUOU-KRWDZBQOSA-N 0 3 384.362 3.223 20 10 GGCDHN CC(C)[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1[O-])N1CCN(C)CC1 ZINC000184976841 565169347 /nfs/dbraw/zinc/16/93/47/565169347.db2.gz YDOLXOIGSSKZCO-PBHICJAKSA-N 0 3 384.362 3.077 20 10 GGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1[O-] ZINC000294025139 565195154 /nfs/dbraw/zinc/19/51/54/565195154.db2.gz NUNJHOSQMKUMON-QGZVFWFLSA-N 0 3 384.314 3.120 20 10 GGCDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185344781 565195815 /nfs/dbraw/zinc/19/58/15/565195815.db2.gz QDYDOCDPTIECFU-CABCVRRESA-N 0 3 384.362 3.079 20 10 GGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000372418121 565236664 /nfs/dbraw/zinc/23/66/64/565236664.db2.gz SDIAWYKGWNARIZ-OCCSQVGLSA-N 0 3 379.302 3.126 20 10 GGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000372418120 565236792 /nfs/dbraw/zinc/23/67/92/565236792.db2.gz SDIAWYKGWNARIZ-JSGCOSHPSA-N 0 3 379.302 3.126 20 10 GGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000372505470 565242153 /nfs/dbraw/zinc/24/21/53/565242153.db2.gz RCMLGMLVCSSEMD-LRDDRELGSA-N 0 3 394.313 3.380 20 10 GGCDHN CC[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000186426954 565260895 /nfs/dbraw/zinc/26/08/95/565260895.db2.gz YMHPAPUYLJWEDN-WMLDXEAASA-N 0 3 384.362 3.221 20 10 GGCDHN OCC1CCN(c2ccc(CNCc3cncc(Br)c3)cc2)CC1 ZINC000186603811 565271173 /nfs/dbraw/zinc/27/11/73/565271173.db2.gz GFKONCHAZAICCI-UHFFFAOYSA-N 0 3 390.325 3.343 20 10 GGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000273041874 565305238 /nfs/dbraw/zinc/30/52/38/565305238.db2.gz WHXLQUOJMKHDNW-ZDUSSCGKSA-N 0 3 396.329 3.337 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374076595 565318711 /nfs/dbraw/zinc/31/87/11/565318711.db2.gz FGRBSQPIYZNVKV-HZPDHXFCSA-N 0 3 396.329 3.313 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374076595 565318713 /nfs/dbraw/zinc/31/87/13/565318713.db2.gz FGRBSQPIYZNVKV-HZPDHXFCSA-N 0 3 396.329 3.313 20 10 GGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1[O-] ZINC000187487417 565336400 /nfs/dbraw/zinc/33/64/00/565336400.db2.gz JWNADKASOZIIFC-JSGCOSHPSA-N 0 3 386.286 3.036 20 10 GGCDHN Cc1cc(Br)cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1O ZINC000376651296 565447369 /nfs/dbraw/zinc/44/73/69/565447369.db2.gz KMJMCYAAYTZJMQ-UHFFFAOYSA-N 0 3 395.257 3.405 20 10 GGCDHN COc1cc(Cl)cc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000277665594 565513549 /nfs/dbraw/zinc/51/35/49/565513549.db2.gz PJEPHNAFNXALTQ-UHFFFAOYSA-N 0 3 390.288 3.401 20 10 GGCDHN CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(C)cc1[O-] ZINC000279975649 565644133 /nfs/dbraw/zinc/64/41/33/565644133.db2.gz DGCNXVWDVCLEDK-OAHLLOKOSA-N 0 3 376.469 3.006 20 10 GGCDHN Cc1cc(Br)cc(CN[C@@]2(CO)CCOc3ccccc32)c1O ZINC000282112871 565764841 /nfs/dbraw/zinc/76/48/41/565764841.db2.gz AHEDBYXPIPVPIX-GOSISDBHSA-N 0 3 378.266 3.223 20 10 GGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000180727622 566084707 /nfs/dbraw/zinc/08/47/07/566084707.db2.gz UQUDHIQXWVNEAW-GUYCJALGSA-N 0 3 394.313 3.142 20 10 GGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000180727622 566084711 /nfs/dbraw/zinc/08/47/11/566084711.db2.gz UQUDHIQXWVNEAW-GUYCJALGSA-N 0 3 394.313 3.142 20 10 GGCDHN C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824618224 609133678 /nfs/dbraw/zinc/13/36/78/609133678.db2.gz NIYPOGPRGLHKMY-AWEZNQCLSA-N 0 3 398.511 3.410 20 10 GGCDHN CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(OC)c(C)c2)cc1 ZINC000053946022 1406563193 /nfs/dbraw/zinc/56/31/93/1406563193.db2.gz ASSJJQUDNXOWPE-UHFFFAOYSA-N 0 3 376.522 3.324 20 10 GGCDHN CCCC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000014261945 1399094869 /nfs/dbraw/zinc/09/48/69/1399094869.db2.gz GQDKBVATRJJZSG-INIZCTEOSA-N 0 3 377.506 3.343 20 10 GGCDHN CCCC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000014261945 1399094878 /nfs/dbraw/zinc/09/48/78/1399094878.db2.gz GQDKBVATRJJZSG-INIZCTEOSA-N 0 3 377.506 3.343 20 10 GGCDHN CCCCN(Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000014261945 1399094883 /nfs/dbraw/zinc/09/48/83/1399094883.db2.gz GQDKBVATRJJZSG-INIZCTEOSA-N 0 3 377.506 3.343 20 10 GGCDHN CN(C)c1ccc(CN(C)C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000046893190 1404625670 /nfs/dbraw/zinc/62/56/70/1404625670.db2.gz CNWWEHAFYIWRDR-UHFFFAOYSA-N 0 3 380.536 3.342 20 10 GGCDHN CN(C)c1ccc(CNC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000063145088 1408307303 /nfs/dbraw/zinc/30/73/03/1408307303.db2.gz KZEWCKWMPLAWRG-UHFFFAOYSA-N 0 3 382.577 3.381 20 10 GGCDHN CCc1cc(CN2CCC(N(CC)S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000066859459 1408934222 /nfs/dbraw/zinc/93/42/22/1408934222.db2.gz HNZIYIYSRHJWBJ-UHFFFAOYSA-N 0 3 396.597 3.498 20 10 GGCDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1 ZINC000067979321 1409269091 /nfs/dbraw/zinc/26/90/91/1409269091.db2.gz AQOADROZZHLZFY-QZTJIDSGSA-N 0 3 381.520 3.292 20 10 GGCDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(N(C)C)cc3)cc2)C[C@H](C)O1 ZINC000067979315 1409269352 /nfs/dbraw/zinc/26/93/52/1409269352.db2.gz AQOADROZZHLZFY-HDICACEKSA-N 0 3 381.520 3.292 20 10 GGCDHN Cc1cc(C(=O)NC2CCN(CCOC(C)C)CC2)c(C)n1-c1ccccn1 ZINC000176688084 1428407803 /nfs/dbraw/zinc/40/78/03/1428407803.db2.gz URUNFFAQZKYIDS-UHFFFAOYSA-N 0 3 384.524 3.108 20 10 GGCDHN CCCN(CC(=O)NCCc1cnn(-c2ccccc2)c1)Cc1ccccc1O ZINC000068973671 1409536036 /nfs/dbraw/zinc/53/60/36/1409536036.db2.gz SMGHJDRIIOJYGW-UHFFFAOYSA-N 0 3 392.503 3.149 20 10 GGCDHN CCC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000068973572 1409536057 /nfs/dbraw/zinc/53/60/57/1409536057.db2.gz WOGLIAIFXXKHKO-UHFFFAOYSA-N 0 3 377.506 3.477 20 10 GGCDHN CCC[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000068973572 1409536064 /nfs/dbraw/zinc/53/60/64/1409536064.db2.gz WOGLIAIFXXKHKO-UHFFFAOYSA-N 0 3 377.506 3.477 20 10 GGCDHN COc1cccc(CC(=O)N2CCN(Cc3c(O)ccc4ccccc43)CC2)c1 ZINC000068986412 1409538092 /nfs/dbraw/zinc/53/80/92/1409538092.db2.gz WOVGCIQVCKXQMK-UHFFFAOYSA-N 0 3 390.483 3.441 20 10 GGCDHN CCN1CCN(c2ccc(NC(=O)NCc3cccc(OC)c3O)c(C)c2)CC1 ZINC000069216642 1409588801 /nfs/dbraw/zinc/58/88/01/1409588801.db2.gz SHQDJMPBGYTICC-UHFFFAOYSA-N 0 3 398.507 3.173 20 10 GGCDHN COc1ccc(N2CCCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000092380722 1410148567 /nfs/dbraw/zinc/14/85/67/1410148567.db2.gz NSERUEZBVNOIFX-UHFFFAOYSA-N 0 3 399.510 3.383 20 10 GGCDHN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000092664333 1410183579 /nfs/dbraw/zinc/18/35/79/1410183579.db2.gz OAYMHXUMRXBVNQ-HZPDHXFCSA-N 0 3 396.373 3.145 20 10 GGCDHN COc1ccc(CCC(=O)N2CCCN(Cc3cccc(OC)c3O)CC2)cc1 ZINC000092709938 1410192863 /nfs/dbraw/zinc/19/28/63/1410192863.db2.gz CFDYHLPMAALSDH-UHFFFAOYSA-N 0 3 398.503 3.077 20 10 GGCDHN COc1ccc([C@H](CO)N(C)Cc2cc(Br)cc(OC)c2O)cc1 ZINC000093415339 1410244444 /nfs/dbraw/zinc/24/44/44/1410244444.db2.gz WJSOFFNMWUZGKJ-INIZCTEOSA-N 0 3 396.281 3.337 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COCc1ccccc1F)C[C@@H]1CCCO1 ZINC000098072155 1410406677 /nfs/dbraw/zinc/40/66/77/1410406677.db2.gz XZWZGGPSEUQMLF-PMACEKPBSA-N 0 3 389.467 3.090 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COCc1ccccc1F)C[C@@H]1CCCO1 ZINC000098072155 1410406698 /nfs/dbraw/zinc/40/66/98/1410406698.db2.gz XZWZGGPSEUQMLF-PMACEKPBSA-N 0 3 389.467 3.090 20 10 GGCDHN COc1ccc(N2CCC(N[C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000102416425 1410624303 /nfs/dbraw/zinc/62/43/03/1410624303.db2.gz URRQNNZNSNEEIN-QFIPXVFZSA-N 0 3 379.504 3.274 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000103512846 1410865452 /nfs/dbraw/zinc/86/54/52/1410865452.db2.gz XRJVYADLSRCYLJ-SJLPKXTDSA-N 0 3 383.492 3.426 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000103512843 1410865509 /nfs/dbraw/zinc/86/55/09/1410865509.db2.gz XRJVYADLSRCYLJ-FUHWJXTLSA-N 0 3 383.492 3.426 20 10 GGCDHN COc1ccnc(N2CC[NH+](Cc3c([O-])ccc4ccc(OC)cc43)CC2)c1 ZINC000104654717 1410921435 /nfs/dbraw/zinc/92/14/35/1410921435.db2.gz UZXXYGUMQAZRTM-UHFFFAOYSA-N 0 3 379.460 3.280 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](c1ccccc1)C(C)(C)C)cc2=O ZINC000108855233 1411627342 /nfs/dbraw/zinc/62/73/42/1411627342.db2.gz AHZRPRQMFAOXGH-GOSISDBHSA-N 0 3 382.464 3.489 20 10 GGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000109347506 1411745996 /nfs/dbraw/zinc/74/59/96/1411745996.db2.gz BFDGADZNQKJHAZ-ZWKOTPCHSA-N 0 3 399.510 3.360 20 10 GGCDHN CN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1ccccc1O ZINC000109773728 1411809453 /nfs/dbraw/zinc/80/94/53/1411809453.db2.gz DVEFAMCLDQRIEJ-UHFFFAOYSA-N 0 3 378.354 3.358 20 10 GGCDHN C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000112367001 1412135863 /nfs/dbraw/zinc/13/58/63/1412135863.db2.gz BDSNPOQOMXOQHX-UZLBHIALSA-N 0 3 383.467 3.118 20 10 GGCDHN C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000112366999 1412136168 /nfs/dbraw/zinc/13/61/68/1412136168.db2.gz BDSNPOQOMXOQHX-OXQOHEQNSA-N 0 3 383.467 3.118 20 10 GGCDHN CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000113314747 1412291562 /nfs/dbraw/zinc/29/15/62/1412291562.db2.gz XRCIVPFEMNNHKU-UHFFFAOYSA-N 0 3 393.528 3.212 20 10 GGCDHN Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)cc12 ZINC000113359133 1412297877 /nfs/dbraw/zinc/29/78/77/1412297877.db2.gz CNAFCZQHFMLCHB-GOSISDBHSA-N 0 3 399.926 3.390 20 10 GGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000113359283 1412298247 /nfs/dbraw/zinc/29/82/47/1412298247.db2.gz SLHIPRIMYZRMII-INIZCTEOSA-N 0 3 390.867 3.234 20 10 GGCDHN O=C1[C@@H](NCc2cc3c(cc2O)OCO3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960656 1412359640 /nfs/dbraw/zinc/35/96/40/1412359640.db2.gz VHKAYOJEFWYGJB-AWEZNQCLSA-N 0 3 394.349 3.035 20 10 GGCDHN CC[C@H](CNC(=O)NCc1cc(OC)ccc1O)N1CCc2ccccc2C1 ZINC000114587297 1412468038 /nfs/dbraw/zinc/46/80/38/1412468038.db2.gz DXBDTUZUMHRACF-LJQANCHMSA-N 0 3 383.492 3.037 20 10 GGCDHN CC[C@@H](CNC(=O)NCc1cc(OC)ccc1O)N1CCc2ccccc2C1 ZINC000114587295 1412468170 /nfs/dbraw/zinc/46/81/70/1412468170.db2.gz DXBDTUZUMHRACF-IBGZPJMESA-N 0 3 383.492 3.037 20 10 GGCDHN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000114750571 1412518543 /nfs/dbraw/zinc/51/85/43/1412518543.db2.gz ZANDFWFGNIAIBP-SJORKVTESA-N 0 3 385.483 3.018 20 10 GGCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000115855083 1412802781 /nfs/dbraw/zinc/80/27/81/1412802781.db2.gz ZJQYERVVKYQNFL-UHFFFAOYSA-N 0 3 386.515 3.474 20 10 GGCDHN CCN(CC)c1ccc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000119495443 1413465988 /nfs/dbraw/zinc/46/59/88/1413465988.db2.gz MCRVTOOPQYBRTC-INIZCTEOSA-N 0 3 375.538 3.373 20 10 GGCDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000122269239 1414406734 /nfs/dbraw/zinc/40/67/34/1414406734.db2.gz RVEXZXYGLLNDEU-UHFFFAOYSA-N 0 3 398.463 3.386 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc(C(=O)N(C)C)c3)c2)CC1 ZINC000122360224 1414434480 /nfs/dbraw/zinc/43/44/80/1414434480.db2.gz AVXQDKLJTMOZPO-UHFFFAOYSA-N 0 3 394.519 3.171 20 10 GGCDHN COC(=O)c1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000122404037 1414447947 /nfs/dbraw/zinc/44/79/47/1414447947.db2.gz FNWQREWDLLOXDF-UHFFFAOYSA-N 0 3 381.476 3.256 20 10 GGCDHN COC(=O)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 ZINC000122491527 1414480126 /nfs/dbraw/zinc/48/01/26/1414480126.db2.gz PKKURKDKOSHEOJ-UHFFFAOYSA-N 0 3 381.476 3.256 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(C(=O)N(C)C)cc3)c2)CC1 ZINC000122550361 1414497985 /nfs/dbraw/zinc/49/79/85/1414497985.db2.gz PSZKFQMYKXUXAJ-UHFFFAOYSA-N 0 3 394.519 3.171 20 10 GGCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000122700262 1414542462 /nfs/dbraw/zinc/54/24/62/1414542462.db2.gz QHHKEBROZTUCRZ-QGZVFWFLSA-N 0 3 387.549 3.452 20 10 GGCDHN COc1cc([C@H](C)NCc2ccc(N(C)C)cc2C)ccc1S(C)(=O)=O ZINC000122724336 1414549288 /nfs/dbraw/zinc/54/92/88/1414549288.db2.gz AVLLRYDKXNSOOQ-HNNXBMFYSA-N 0 3 376.522 3.324 20 10 GGCDHN CCN(CC)C(=O)C1(NCc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000123609494 1414793592 /nfs/dbraw/zinc/79/35/92/1414793592.db2.gz QPWORFLTTCYLCB-UHFFFAOYSA-N 0 3 391.531 3.323 20 10 GGCDHN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000125208269 1415130199 /nfs/dbraw/zinc/13/01/99/1415130199.db2.gz GQTSWSNHNOTDKK-KRWDZBQOSA-N 0 3 389.565 3.431 20 10 GGCDHN O=C(NCCCN1CCc2ccccc2C1)NCc1ccc(N2CC=CC2)cc1 ZINC000125368798 1415178143 /nfs/dbraw/zinc/17/81/43/1415178143.db2.gz KFTPJLNPMHMXHL-UHFFFAOYSA-N 0 3 390.531 3.310 20 10 GGCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000125860941 1415299432 /nfs/dbraw/zinc/29/94/32/1415299432.db2.gz APVJLDZZPPTDCE-UHFFFAOYSA-N 0 3 383.492 3.140 20 10 GGCDHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000126992892 1415629218 /nfs/dbraw/zinc/62/92/18/1415629218.db2.gz WHNZSHPQNXHESI-FQEVSTJZSA-N 0 3 389.540 3.355 20 10 GGCDHN COc1ccc(O)c(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000127287151 1415720816 /nfs/dbraw/zinc/72/08/16/1415720816.db2.gz CKFORHDKUBHARJ-VQTJNVASSA-N 0 3 376.884 3.216 20 10 GGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000129924947 1416286006 /nfs/dbraw/zinc/28/60/06/1416286006.db2.gz XLKDSRZVRVSCLO-IUODEOHRSA-N 0 3 396.329 3.311 20 10 GGCDHN CCCN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1O ZINC000130736223 1416438912 /nfs/dbraw/zinc/43/89/12/1416438912.db2.gz SBCRWLVKWLDMMV-UHFFFAOYSA-N 0 3 397.519 3.075 20 10 GGCDHN C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000131031166 1416498615 /nfs/dbraw/zinc/49/86/15/1416498615.db2.gz LTGKFXGNWLPRKH-CVDCTZTESA-N 0 3 393.531 3.365 20 10 GGCDHN COc1cc(Br)cc(CN[C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131584891 1416579978 /nfs/dbraw/zinc/57/99/78/1416579978.db2.gz UMABNYSQEAFJSB-OAHLLOKOSA-N 0 3 397.313 3.187 20 10 GGCDHN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178666094 1429132949 /nfs/dbraw/zinc/13/29/49/1429132949.db2.gz MIWFYIPMKXRKLL-IRXDYDNUSA-N 0 3 388.533 3.339 20 10 GGCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000178719962 1429150767 /nfs/dbraw/zinc/15/07/67/1429150767.db2.gz AUQDBXITQWRDQL-SFHVURJKSA-N 0 3 397.519 3.468 20 10 GGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000178719962 1429150776 /nfs/dbraw/zinc/15/07/76/1429150776.db2.gz AUQDBXITQWRDQL-SFHVURJKSA-N 0 3 397.519 3.468 20 10 GGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000178719962 1429150787 /nfs/dbraw/zinc/15/07/87/1429150787.db2.gz AUQDBXITQWRDQL-SFHVURJKSA-N 0 3 397.519 3.468 20 10 GGCDHN C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000141825626 1417558696 /nfs/dbraw/zinc/55/86/96/1417558696.db2.gz SJPDBQIQDVSJHF-KRWDZBQOSA-N 0 3 382.508 3.468 20 10 GGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000151537895 1418017585 /nfs/dbraw/zinc/01/75/85/1418017585.db2.gz MLDXIWFHIGZZCN-QZXCRCNTSA-N 0 3 390.524 3.375 20 10 GGCDHN O=C(NCCCSc1nccs1)NCCCN1CCc2ccccc2C1 ZINC000152187040 1418168785 /nfs/dbraw/zinc/16/87/85/1418168785.db2.gz LTUGYSXDRWXHAE-UHFFFAOYSA-N 0 3 390.578 3.373 20 10 GGCDHN Oc1ccccc1CN1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000179561126 1429433353 /nfs/dbraw/zinc/43/33/53/1429433353.db2.gz SYZHPEVORXZRPS-UHFFFAOYSA-N 0 3 384.505 3.254 20 10 GGCDHN COc1ccc(CN(C)Cc2ccc(N3CCCCC3)cc2)cc1OCC(N)=O ZINC000155243094 1423268812 /nfs/dbraw/zinc/26/88/12/1423268812.db2.gz PPLAYRVKYJIGNC-UHFFFAOYSA-N 0 3 397.519 3.182 20 10 GGCDHN CN(C)CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155693524 1423489365 /nfs/dbraw/zinc/48/93/65/1423489365.db2.gz TUAGILPFOLAYOM-UHFFFAOYSA-N 0 3 378.520 3.336 20 10 GGCDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000179941322 1429653243 /nfs/dbraw/zinc/65/32/43/1429653243.db2.gz CPPCAVJKUYITTM-KRWDZBQOSA-N 0 3 388.533 3.168 20 10 GGCDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000157779849 1424086541 /nfs/dbraw/zinc/08/65/41/1424086541.db2.gz OGBIRSPOIZYKES-QGZVFWFLSA-N 0 3 384.245 3.300 20 10 GGCDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000159274104 1424468442 /nfs/dbraw/zinc/46/84/42/1424468442.db2.gz PHSNIXKRGJRIOC-MRXNPFEDSA-N 0 3 398.498 3.238 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCO1 ZINC000160183551 1424584269 /nfs/dbraw/zinc/58/42/69/1424584269.db2.gz FPAYRXWOUJWYSI-JOCHJYFZSA-N 0 3 382.504 3.410 20 10 GGCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCO1 ZINC000160183551 1424584280 /nfs/dbraw/zinc/58/42/80/1424584280.db2.gz FPAYRXWOUJWYSI-JOCHJYFZSA-N 0 3 382.504 3.410 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000160256929 1424590459 /nfs/dbraw/zinc/59/04/59/1424590459.db2.gz QERSECUMWVYYET-XYJFISCASA-N 0 3 383.492 3.424 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000160256618 1424590760 /nfs/dbraw/zinc/59/07/60/1424590760.db2.gz QERSECUMWVYYET-RYRKJORJSA-N 0 3 383.492 3.424 20 10 GGCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000161419509 1424687410 /nfs/dbraw/zinc/68/74/10/1424687410.db2.gz OHRKRWWRMMABQA-HOTGVXAUSA-N 0 3 375.538 3.463 20 10 GGCDHN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC[C@H]2CCCO2)cc1 ZINC000163669582 1425031603 /nfs/dbraw/zinc/03/16/03/1425031603.db2.gz IBDLDZGJFCCNNR-JOCHJYFZSA-N 0 3 397.519 3.063 20 10 GGCDHN CC[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N1CCOCC1 ZINC000165039498 1425158712 /nfs/dbraw/zinc/15/87/12/1425158712.db2.gz YQRQLBVOHQHGCW-QFBILLFUSA-N 0 3 377.504 3.104 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000165188296 1425169735 /nfs/dbraw/zinc/16/97/35/1425169735.db2.gz YNGRLNSRPDBBNW-WZQKQDCOSA-N 0 3 376.497 3.251 20 10 GGCDHN O[C@](CNCc1ccc(N2CCOCC2)cc1)(c1ccccc1)C(F)(F)F ZINC000170790938 1425344392 /nfs/dbraw/zinc/34/43/92/1425344392.db2.gz WXDYIORBIFAOTI-LJQANCHMSA-N 0 3 380.410 3.063 20 10 GGCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000171380432 1425650579 /nfs/dbraw/zinc/65/05/79/1425650579.db2.gz CLSMYTKRJPWWJS-MRXNPFEDSA-N 0 3 387.549 3.170 20 10 GGCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000171379768 1425650669 /nfs/dbraw/zinc/65/06/69/1425650669.db2.gz ZTJDQUDHWHPPRH-KRWDZBQOSA-N 0 3 399.560 3.460 20 10 GGCDHN CCN1CCN(c2ccc(NC(=O)NCc3cc(OC)ccc3O)c(C)c2)CC1 ZINC000172019413 1425875656 /nfs/dbraw/zinc/87/56/56/1425875656.db2.gz IWFBCZKEBKYOLT-UHFFFAOYSA-N 0 3 398.507 3.173 20 10 GGCDHN COc1ccc(N2CCN(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000172730131 1426163847 /nfs/dbraw/zinc/16/38/47/1426163847.db2.gz KTZPNZLSUZWCPG-QGZVFWFLSA-N 0 3 375.513 3.074 20 10 GGCDHN COc1ccc(N2CCCN(C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)cc1 ZINC000172757421 1426175479 /nfs/dbraw/zinc/17/54/79/1426175479.db2.gz YZCNWMSKMOIEDT-OAQYLSRUSA-N 0 3 381.476 3.233 20 10 GGCDHN COc1cccc(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000173355057 1426530990 /nfs/dbraw/zinc/53/09/90/1426530990.db2.gz MPZNFFZJDDPEGZ-HXUWFJFHSA-N 0 3 384.476 3.411 20 10 GGCDHN COc1cccc(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000173355057 1426530999 /nfs/dbraw/zinc/53/09/99/1426530999.db2.gz MPZNFFZJDDPEGZ-HXUWFJFHSA-N 0 3 384.476 3.411 20 10 GGCDHN COc1cccc(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000173355043 1426531155 /nfs/dbraw/zinc/53/11/55/1426531155.db2.gz MPZNFFZJDDPEGZ-FQEVSTJZSA-N 0 3 384.476 3.411 20 10 GGCDHN COc1cccc(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000173355043 1426531162 /nfs/dbraw/zinc/53/11/62/1426531162.db2.gz MPZNFFZJDDPEGZ-FQEVSTJZSA-N 0 3 384.476 3.411 20 10 GGCDHN CCO[C@H](C)c1noc(CN2CCN(Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000173383018 1426557270 /nfs/dbraw/zinc/55/72/70/1426557270.db2.gz BHVUYBGVGAEFJQ-MRXNPFEDSA-N 0 3 396.491 3.344 20 10 GGCDHN CCO[C@H](C)c1noc(CN2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000173383018 1426557282 /nfs/dbraw/zinc/55/72/82/1426557282.db2.gz BHVUYBGVGAEFJQ-MRXNPFEDSA-N 0 3 396.491 3.344 20 10 GGCDHN COc1cccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)c1O ZINC000173416941 1426599682 /nfs/dbraw/zinc/59/96/82/1426599682.db2.gz GXNFOPGVGNJJKK-OAHLLOKOSA-N 0 3 375.494 3.099 20 10 GGCDHN CCN(CC)[C@@H](CNC(=O)NCc1cccc(OC)c1O)c1ccsc1 ZINC000173823580 1426860931 /nfs/dbraw/zinc/86/09/31/1426860931.db2.gz VSPVTFZTACEWQO-INIZCTEOSA-N 0 3 377.510 3.345 20 10 GGCDHN Cc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000174008145 1426940549 /nfs/dbraw/zinc/94/05/49/1426940549.db2.gz IIQMTMSRRNWXLI-XMSQKQJNSA-N 0 3 379.504 3.288 20 10 GGCDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000174426527 1427151721 /nfs/dbraw/zinc/15/17/21/1427151721.db2.gz AYIOLOZWKDNNFZ-LBPRGKRZSA-N 0 3 395.219 3.140 20 10 GGCDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000174426527 1427151727 /nfs/dbraw/zinc/15/17/27/1427151727.db2.gz AYIOLOZWKDNNFZ-LBPRGKRZSA-N 0 3 395.219 3.140 20 10 GGCDHN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000180814408 1430055349 /nfs/dbraw/zinc/05/53/49/1430055349.db2.gz JLJCMMIMXQOYNT-GOSISDBHSA-N 0 3 391.519 3.248 20 10 GGCDHN COc1ccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N2CCCC2)cc1 ZINC000180884511 1430088836 /nfs/dbraw/zinc/08/88/36/1430088836.db2.gz FKZBDTUXGPAZJM-PHRJPNOBSA-N 0 3 382.460 3.073 20 10 GGCDHN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180964195 1430139354 /nfs/dbraw/zinc/13/93/54/1430139354.db2.gz LXBYECHGLDUSMQ-LAUBAEHRSA-N 0 3 381.524 3.257 20 10 GGCDHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180964261 1430140223 /nfs/dbraw/zinc/14/02/23/1430140223.db2.gz LXBYECHGLDUSMQ-UTKZUKDTSA-N 0 3 381.524 3.257 20 10 GGCDHN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180964237 1430140262 /nfs/dbraw/zinc/14/02/62/1430140262.db2.gz LXBYECHGLDUSMQ-UWJYYQICSA-N 0 3 381.524 3.257 20 10 GGCDHN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000180995779 1430158139 /nfs/dbraw/zinc/15/81/39/1430158139.db2.gz JJEZLVWQHMTBRL-XBXARRHUSA-N 0 3 384.501 3.341 20 10 GGCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181179298 1430239590 /nfs/dbraw/zinc/23/95/90/1430239590.db2.gz GAELJDADZUBQLL-OFNKIYASSA-N 0 3 395.547 3.469 20 10 GGCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181179257 1430239609 /nfs/dbraw/zinc/23/96/09/1430239609.db2.gz GAELJDADZUBQLL-REWPJTCUSA-N 0 3 395.547 3.469 20 10 GGCDHN COc1cc(O)c(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1OC ZINC000181467054 1430305930 /nfs/dbraw/zinc/30/59/30/1430305930.db2.gz DCERXVWIJKYCRS-CYBMUJFWSA-N 0 3 385.386 3.462 20 10 GGCDHN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(N2CCCC2)c1 ZINC000181867903 1430374516 /nfs/dbraw/zinc/37/45/16/1430374516.db2.gz WLIUFUVQYGATHI-GOSISDBHSA-N 0 3 380.536 3.320 20 10 GGCDHN Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c([O-])c1O ZINC000182326734 1430449154 /nfs/dbraw/zinc/44/91/54/1430449154.db2.gz SIMNSBWIHMMBEX-UHFFFAOYSA-N 0 3 387.455 3.328 20 10 GGCDHN CCCCCc1nnc(NC(=O)CN[C@H](C)c2cc(OC)ccc2O)s1 ZINC000182335241 1430450247 /nfs/dbraw/zinc/45/02/47/1430450247.db2.gz WJBNNKOENMJBOS-GFCCVEGCSA-N 0 3 378.498 3.274 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000182382114 1430456216 /nfs/dbraw/zinc/45/62/16/1430456216.db2.gz GSAREVCKWNQXNG-CYBMUJFWSA-N 0 3 394.418 3.311 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCOc2ccc(C(C)C)cc2)c1 ZINC000182395176 1430459228 /nfs/dbraw/zinc/45/92/28/1430459228.db2.gz UKMMVVVWBBWFBC-MRXNPFEDSA-N 0 3 386.492 3.370 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000182397214 1430459789 /nfs/dbraw/zinc/45/97/89/1430459789.db2.gz GYJBEPHFQRGRTJ-AWEZNQCLSA-N 0 3 394.475 3.493 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCc2ccc(OC(F)F)cc2)c1 ZINC000182407109 1430462102 /nfs/dbraw/zinc/46/21/02/1430462102.db2.gz GTVISZAEMAGHCT-CYBMUJFWSA-N 0 3 394.418 3.012 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000182471600 1430473450 /nfs/dbraw/zinc/47/34/50/1430473450.db2.gz MKZDPYCNRXQQBL-JLTOFOAXSA-N 0 3 397.500 3.414 20 10 GGCDHN COC(=O)c1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000182495178 1430477452 /nfs/dbraw/zinc/47/74/52/1430477452.db2.gz KXORTAJAXSMTDN-CYBMUJFWSA-N 0 3 380.391 3.426 20 10 GGCDHN Cc1cc(C)cc([C@H](C)NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000182923277 1430572708 /nfs/dbraw/zinc/57/27/08/1430572708.db2.gz LARIEBUNQKJQQI-SFHVURJKSA-N 0 3 399.510 3.246 20 10 GGCDHN O=C(NC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1)C1CC1 ZINC000182975038 1430583799 /nfs/dbraw/zinc/58/37/99/1430583799.db2.gz HBULYFIGLZTYQA-UHFFFAOYSA-N 0 3 380.488 3.462 20 10 GGCDHN O=C1NCCCN1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183099109 1430612260 /nfs/dbraw/zinc/61/22/60/1430612260.db2.gz VNPMQQBXNREWRG-UHFFFAOYSA-N 0 3 395.503 3.351 20 10 GGCDHN CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183158632 1430632935 /nfs/dbraw/zinc/63/29/35/1430632935.db2.gz MYPAHNWYRZCVMJ-UHFFFAOYSA-N 0 3 377.506 3.274 20 10 GGCDHN CC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000183331212 1430681088 /nfs/dbraw/zinc/68/10/88/1430681088.db2.gz BUAFUBMBOWTVAC-HXUWFJFHSA-N 0 3 385.483 3.311 20 10 GGCDHN COc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)cc1OC ZINC000183386815 1430697829 /nfs/dbraw/zinc/69/78/29/1430697829.db2.gz KJIKXOSDQYIMNM-VQIMIIECSA-N 0 3 386.492 3.134 20 10 GGCDHN COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)cc1OC ZINC000183607852 1430753654 /nfs/dbraw/zinc/75/36/54/1430753654.db2.gz PSKAGFISAQPVPJ-OAHLLOKOSA-N 0 3 384.476 3.365 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183730715 1430782740 /nfs/dbraw/zinc/78/27/40/1430782740.db2.gz ZEBBTHQNMNLBDI-MRXNPFEDSA-N 0 3 399.466 3.470 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc4c(cc3F)NC(=O)CC4)c2)CC1 ZINC000184261202 1430863901 /nfs/dbraw/zinc/86/39/01/1430863901.db2.gz IJGHJYHQWQPUJA-UHFFFAOYSA-N 0 3 396.466 3.105 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(N4CCOC4=O)cc3)c2)CC1 ZINC000184270361 1430865489 /nfs/dbraw/zinc/86/54/89/1430865489.db2.gz SWWZZLSRBRXWCE-UHFFFAOYSA-N 0 3 394.475 3.037 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OCCOC)cc3)c2)CC1 ZINC000184275251 1430866260 /nfs/dbraw/zinc/86/62/60/1430866260.db2.gz LDTQGBQWVWNGDT-UHFFFAOYSA-N 0 3 383.492 3.106 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)OCCCO4)c2)CC1 ZINC000184285530 1430868204 /nfs/dbraw/zinc/86/82/04/1430868204.db2.gz CABHJDVDKBEENX-UHFFFAOYSA-N 0 3 381.476 3.242 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(OC)c(C)c(OC)c3)c2)CC1 ZINC000184285674 1430868274 /nfs/dbraw/zinc/86/82/74/1430868274.db2.gz YWFKXJNTZUDMSH-UHFFFAOYSA-N 0 3 383.492 3.406 20 10 GGCDHN CCC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)c1 ZINC000184285323 1430868296 /nfs/dbraw/zinc/86/82/96/1430868296.db2.gz GIFWPFDYJAEYSM-UHFFFAOYSA-N 0 3 380.492 3.429 20 10 GGCDHN Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)cc1 ZINC000184962010 1431031843 /nfs/dbraw/zinc/03/18/43/1431031843.db2.gz YVZGPCUIBSARSJ-HNNXBMFYSA-N 0 3 392.496 3.344 20 10 GGCDHN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185133677 1431069278 /nfs/dbraw/zinc/06/92/78/1431069278.db2.gz CTKXLNLIVKPZQD-CQSZACIVSA-N 0 3 380.485 3.411 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000185138103 1431070381 /nfs/dbraw/zinc/07/03/81/1431070381.db2.gz UTKCSDSQOUXMKR-BEFAXECRSA-N 0 3 384.476 3.160 20 10 GGCDHN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185169506 1431076461 /nfs/dbraw/zinc/07/64/61/1431076461.db2.gz IFHOUGYIHMIXBM-AWEZNQCLSA-N 0 3 380.485 3.413 20 10 GGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c([O-])c1 ZINC000185356051 1431124507 /nfs/dbraw/zinc/12/45/07/1431124507.db2.gz HJIZVHVLXIBSQW-MRXNPFEDSA-N 0 3 376.522 3.379 20 10 GGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c([O-])c1 ZINC000186704901 1431496717 /nfs/dbraw/zinc/49/67/17/1431496717.db2.gz ZKYAHFJHZHPEFL-CQSZACIVSA-N 0 3 378.469 3.230 20 10 GGCDHN C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N(C)C)cc1 ZINC000186715503 1431499735 /nfs/dbraw/zinc/49/97/35/1431499735.db2.gz WXMYYJGDPBCMPM-HNNXBMFYSA-N 0 3 391.512 3.282 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3[S@](=O)CC)c2)CC1 ZINC000187399840 1431719697 /nfs/dbraw/zinc/71/96/97/1431719697.db2.gz UXVYXYMWXFPKCC-HHHXNRCGSA-N 0 3 385.533 3.208 20 10 GGCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)N1CCc2ccccc2C1 ZINC000189106419 1432046357 /nfs/dbraw/zinc/04/63/57/1432046357.db2.gz AYDPCZIMFLNAMU-JOCHJYFZSA-N 0 3 394.515 3.348 20 10 GGCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)N1CCc2ccccc2C1 ZINC000189106419 1432046363 /nfs/dbraw/zinc/04/63/63/1432046363.db2.gz AYDPCZIMFLNAMU-JOCHJYFZSA-N 0 3 394.515 3.348 20 10 GGCDHN CCN(C)c1ccc(CNCc2ccc(N3CCN(CC)CC3)c(F)c2)cn1 ZINC000190981929 1432542792 /nfs/dbraw/zinc/54/27/92/1432542792.db2.gz AKTNUBJLCWJYLY-UHFFFAOYSA-N 0 3 385.531 3.109 20 10 GGCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000192751299 1432884620 /nfs/dbraw/zinc/88/46/20/1432884620.db2.gz WNWAOLYAIRLRME-KNQAVFIVSA-N 0 3 381.520 3.126 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COCc1cccs1)C[C@@H]1CCCO1 ZINC000216396821 1433363674 /nfs/dbraw/zinc/36/36/74/1433363674.db2.gz GXLNZEBQNAHWHR-MSOLQXFVSA-N 0 3 377.506 3.012 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COCc1cccs1)C[C@@H]1CCCO1 ZINC000216396821 1433363676 /nfs/dbraw/zinc/36/36/76/1433363676.db2.gz GXLNZEBQNAHWHR-MSOLQXFVSA-N 0 3 377.506 3.012 20 10 GGCDHN CCCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1 ZINC000236842479 1433380606 /nfs/dbraw/zinc/38/06/06/1433380606.db2.gz XGZLXESHCKOBAV-OAHLLOKOSA-N 0 3 392.521 3.282 20 10 GGCDHN Nc1ccc(CC(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000237897563 1433432405 /nfs/dbraw/zinc/43/24/05/1433432405.db2.gz VAOJWQSKJMRRTH-UHFFFAOYSA-N 0 3 387.911 3.124 20 10 GGCDHN CCOCc1cc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)ccc1OC ZINC000266140830 1434306404 /nfs/dbraw/zinc/30/64/04/1434306404.db2.gz GZCANNNEBDQIKO-NRFANRHFSA-N 0 3 395.503 3.160 20 10 GGCDHN COc1ccc([C@H](CNC(=O)NCc2cccc(OC)c2O)N2CCCC2)cc1 ZINC000266280871 1434315895 /nfs/dbraw/zinc/31/58/95/1434315895.db2.gz GJYGOHMXXXABLT-IBGZPJMESA-N 0 3 399.491 3.046 20 10 GGCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000273623283 1435000388 /nfs/dbraw/zinc/00/03/88/1435000388.db2.gz ZUNVUUHYBDUGHH-KBPBESRZSA-N 0 3 378.494 3.063 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OC)c(OC)c3OC)c2)CC1 ZINC000274491557 1435074579 /nfs/dbraw/zinc/07/45/79/1435074579.db2.gz RGWYQLZBCBNEKG-UHFFFAOYSA-N 0 3 399.491 3.107 20 10 GGCDHN CN(C)Cc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 ZINC000275810903 1435171730 /nfs/dbraw/zinc/17/17/30/1435171730.db2.gz MMQSDHQIPQEAII-UHFFFAOYSA-N 0 3 394.519 3.492 20 10 GGCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cc(C(=O)OC)co3)cc2F)CC1 ZINC000278886325 1435435671 /nfs/dbraw/zinc/43/56/71/1435435671.db2.gz YGQRLGWQMCYZMT-HNNXBMFYSA-N 0 3 389.471 3.198 20 10 GGCDHN CS(=O)(=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCC1 ZINC000279669067 1435526512 /nfs/dbraw/zinc/52/65/12/1435526512.db2.gz HKPPYPSHFKLKAR-UHFFFAOYSA-N 0 3 375.490 3.028 20 10 GGCDHN CCCCN(Cc1ccccc1O)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000282398406 1435845806 /nfs/dbraw/zinc/84/58/06/1435845806.db2.gz HOACLCBHYDWZGW-HXUWFJFHSA-N 0 3 377.506 3.131 20 10 GGCDHN CCCCN(Cc1ccccc1O)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000282398404 1435845815 /nfs/dbraw/zinc/84/58/15/1435845815.db2.gz HOACLCBHYDWZGW-FQEVSTJZSA-N 0 3 377.506 3.131 20 10 GGCDHN CCCCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccccc1O ZINC000282497300 1435849294 /nfs/dbraw/zinc/84/92/94/1435849294.db2.gz QNVYLUCURGURGJ-UHFFFAOYSA-N 0 3 383.492 3.335 20 10 GGCDHN CCCCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1O ZINC000282526459 1435850306 /nfs/dbraw/zinc/85/03/06/1435850306.db2.gz UKSDOGIKCFCFBS-UHFFFAOYSA-N 0 3 383.492 3.335 20 10 GGCDHN Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000282784236 1435860236 /nfs/dbraw/zinc/86/02/36/1435860236.db2.gz XZJNTHGBOTYCBW-UHFFFAOYSA-N 0 3 377.492 3.011 20 10 GGCDHN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccc(C)cc1[O-] ZINC000284504561 1436026836 /nfs/dbraw/zinc/02/68/36/1436026836.db2.gz AWZUANWORNRUIX-JBYIUTFZSA-N 0 3 382.508 3.370 20 10 GGCDHN CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428960 947185827 /nfs/dbraw/zinc/18/58/27/947185827.db2.gz WSJLDOXVUDBIHW-CYBMUJFWSA-N 0 3 383.452 3.173 20 10 GGCDHN CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428960 947185835 /nfs/dbraw/zinc/18/58/35/947185835.db2.gz WSJLDOXVUDBIHW-CYBMUJFWSA-N 0 3 383.452 3.173 20 10 GGCDHN COc1cc(Br)cc(CN2CCC[C@H](c3nc(C)no3)C2)c1O ZINC000091832293 564872494 /nfs/dbraw/zinc/87/24/94/564872494.db2.gz MYPWCSXYTMJSRT-NSHDSACASA-N 0 3 382.258 3.234 20 10 GGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000151376100 564916681 /nfs/dbraw/zinc/91/66/81/564916681.db2.gz WQSUJYWJMNGJLB-BBRMVZONSA-N 0 3 388.327 3.308 20 10 GGCDHN O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000369557352 565098690 /nfs/dbraw/zinc/09/86/90/565098690.db2.gz UYUZPYXZRRHCNE-UHFFFAOYSA-N 0 3 381.230 3.097 20 10 GGCDHN C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1[O-] ZINC000185492538 565204984 /nfs/dbraw/zinc/20/49/84/565204984.db2.gz JFEZKPHRVRDLBK-KBPBESRZSA-N 0 3 383.330 3.306 20 10 GGCDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000271869436 565270785 /nfs/dbraw/zinc/27/07/85/565270785.db2.gz XGIKGZCGAVQYFP-DLBZAZTESA-N 0 3 380.282 3.037 20 10 GGCDHN CCN1CCN(CCC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000186999186 565301713 /nfs/dbraw/zinc/30/17/13/565301713.db2.gz HHGMQISAWWAHRP-HNNXBMFYSA-N 0 3 384.362 3.141 20 10 GGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1[O-] ZINC000273474284 565322917 /nfs/dbraw/zinc/32/29/17/565322917.db2.gz KKFHLNXDINRXLB-JCURWCKSSA-N 0 3 383.330 3.183 20 10 GGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1[O-] ZINC000273474282 565322955 /nfs/dbraw/zinc/32/29/55/565322955.db2.gz KKFHLNXDINRXLB-AFAVFJNCSA-N 0 3 383.330 3.183 20 10 GGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000275390122 565406864 /nfs/dbraw/zinc/40/68/64/565406864.db2.gz YSGGTYFNEBRUIX-GJZGRUSLSA-N 0 3 384.362 3.140 20 10 GGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000275390112 565406970 /nfs/dbraw/zinc/40/69/70/565406970.db2.gz YSGGTYFNEBRUIX-CABCVRRESA-N 0 3 384.362 3.140 20 10 GGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)c1[O-] ZINC000275401546 565408039 /nfs/dbraw/zinc/40/80/39/565408039.db2.gz ZXPDXYFTOONSHR-LBPRGKRZSA-N 0 3 378.332 3.329 20 10 GGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378440227 565527547 /nfs/dbraw/zinc/52/75/47/565527547.db2.gz AMCLPIROGLCEET-IAGOWNOFSA-N 0 3 394.313 3.285 20 10 GGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378440227 565527551 /nfs/dbraw/zinc/52/75/51/565527551.db2.gz AMCLPIROGLCEET-IAGOWNOFSA-N 0 3 394.313 3.285 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000173965391 565603290 /nfs/dbraw/zinc/60/32/90/565603290.db2.gz PQAMLGMBJVLZOJ-ZDUSSCGKSA-N 0 3 396.329 3.171 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000173965391 565603293 /nfs/dbraw/zinc/60/32/93/565603293.db2.gz PQAMLGMBJVLZOJ-ZDUSSCGKSA-N 0 3 396.329 3.171 20 10 GGCDHN Cc1cc(Br)cc(CN2CCC([C@H](O)c3nccn3C)CC2)c1O ZINC000180279935 566050110 /nfs/dbraw/zinc/05/01/10/566050110.db2.gz DVSRSUBVTSOELE-KRWDZBQOSA-N 0 3 394.313 3.142 20 10 GGCDHN COc1cc(Br)cc(CN2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000368261770 566235165 /nfs/dbraw/zinc/23/51/65/566235165.db2.gz SSFRGFNOYQOXEM-LJQANCHMSA-N 0 3 392.293 3.299 20 10 GGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000824529159 609136397 /nfs/dbraw/zinc/13/63/97/609136397.db2.gz FEMODYLHIQUOSL-CABCVRRESA-N 0 3 396.470 3.254 20 10 GGCDHN CN(CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Cc1ccccc1 ZINC000054763292 1406820836 /nfs/dbraw/zinc/82/08/36/1406820836.db2.gz RGKMYVGOCMFUBG-NRFANRHFSA-N 0 3 397.519 3.215 20 10 GGCDHN CCCC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014261943 1399095122 /nfs/dbraw/zinc/09/51/22/1399095122.db2.gz GQDKBVATRJJZSG-MRXNPFEDSA-N 0 3 377.506 3.343 20 10 GGCDHN CCCC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014261943 1399095128 /nfs/dbraw/zinc/09/51/28/1399095128.db2.gz GQDKBVATRJJZSG-MRXNPFEDSA-N 0 3 377.506 3.343 20 10 GGCDHN CCCCN(Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014261943 1399095131 /nfs/dbraw/zinc/09/51/31/1399095131.db2.gz GQDKBVATRJJZSG-MRXNPFEDSA-N 0 3 377.506 3.343 20 10 GGCDHN CCOc1cc(CNCc2ccc(N(C)C)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000017318064 1399279419 /nfs/dbraw/zinc/27/94/19/1399279419.db2.gz XPMITKHWHQEIKN-QGZVFWFLSA-N 0 3 399.535 3.297 20 10 GGCDHN O=C(CN1CCN(Cc2c(O)ccc3ccccc32)CC1)Nc1ccccc1 ZINC000023614115 1399574429 /nfs/dbraw/zinc/57/44/29/1399574429.db2.gz BVEYNJAKSMHHQO-UHFFFAOYSA-N 0 3 375.472 3.302 20 10 GGCDHN O=C(CN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)Nc1ccccc1 ZINC000023614115 1399574434 /nfs/dbraw/zinc/57/44/34/1399574434.db2.gz BVEYNJAKSMHHQO-UHFFFAOYSA-N 0 3 375.472 3.302 20 10 GGCDHN COc1ccc(N2CCN(C(=O)CN[C@H](c3ccccc3)C(C)C)CC2)cc1 ZINC000029197393 1400256941 /nfs/dbraw/zinc/25/69/41/1400256941.db2.gz YWTDWHGVMULAOS-QHCPKHFHSA-N 0 3 381.520 3.331 20 10 GGCDHN COc1ccc(N2CCN(C(=O)CN[C@@H](c3ccccc3)C(C)C)CC2)cc1 ZINC000029197397 1400257021 /nfs/dbraw/zinc/25/70/21/1400257021.db2.gz YWTDWHGVMULAOS-HSZRJFAPSA-N 0 3 381.520 3.331 20 10 GGCDHN Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000056876781 1407462155 /nfs/dbraw/zinc/46/21/55/1407462155.db2.gz FVKNOIIMIKHSQC-UHFFFAOYSA-N 0 3 384.524 3.462 20 10 GGCDHN Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000057647091 1407676713 /nfs/dbraw/zinc/67/67/13/1407676713.db2.gz HYPWBBRRSWWQIW-UHFFFAOYSA-N 0 3 376.476 3.067 20 10 GGCDHN Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000057661348 1407679214 /nfs/dbraw/zinc/67/92/14/1407679214.db2.gz FTFDKBCORWNCGV-UHFFFAOYSA-N 0 3 384.524 3.244 20 10 GGCDHN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(CN2CCCC2)c1 ZINC000064026743 1408468986 /nfs/dbraw/zinc/46/89/86/1408468986.db2.gz KDPZOFJNAGZYEN-UHFFFAOYSA-N 0 3 397.494 3.188 20 10 GGCDHN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(CN2CCCC2)c1 ZINC000064027744 1408469234 /nfs/dbraw/zinc/46/92/34/1408469234.db2.gz BHTFDPFUVYELON-UHFFFAOYSA-N 0 3 379.504 3.049 20 10 GGCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000066410385 1408832598 /nfs/dbraw/zinc/83/25/98/1408832598.db2.gz BMJLKULJWMJXKW-UHFFFAOYSA-N 0 3 393.531 3.391 20 10 GGCDHN CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000176541996 1428357519 /nfs/dbraw/zinc/35/75/19/1428357519.db2.gz UKJGXTDBIYDFKH-UHFFFAOYSA-N 0 3 384.549 3.398 20 10 GGCDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc4c(c3)CCO4)cc2)C[C@H](C)O1 ZINC000067979146 1409269008 /nfs/dbraw/zinc/26/90/08/1409269008.db2.gz WHJFPKYCEJGVBC-CALCHBBNSA-N 0 3 380.488 3.161 20 10 GGCDHN C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(N(C)C)cc3)cc2)C[C@H](C)O1 ZINC000067979319 1409269078 /nfs/dbraw/zinc/26/90/78/1409269078.db2.gz AQOADROZZHLZFY-ROUUACIJSA-N 0 3 381.520 3.292 20 10 GGCDHN CCCN(CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccccc1O ZINC000068973597 1409536294 /nfs/dbraw/zinc/53/62/94/1409536294.db2.gz GRVFJCIWYDZXQC-NRFANRHFSA-N 0 3 386.467 3.343 20 10 GGCDHN CCN1CCN(CCCNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC000078583579 1409927650 /nfs/dbraw/zinc/92/76/50/1409927650.db2.gz SIFFXWUGAFHQFG-UHFFFAOYSA-N 0 3 382.552 3.160 20 10 GGCDHN CCOc1cccc(CN2CCCN(C(=O)CCc3ccccc3)CC2)c1O ZINC000092534580 1410167526 /nfs/dbraw/zinc/16/75/26/1410167526.db2.gz USCLHTBDOGQJNY-UHFFFAOYSA-N 0 3 382.504 3.458 20 10 GGCDHN CCOc1ccc(O)c(CN2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000092534786 1410168006 /nfs/dbraw/zinc/16/80/06/1410168006.db2.gz XUKZSZUPKLUUKR-UHFFFAOYSA-N 0 3 382.504 3.458 20 10 GGCDHN COc1ccc(CCC(=O)N2CCCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000092709893 1410193147 /nfs/dbraw/zinc/19/31/47/1410193147.db2.gz DSRWZUWCXKSSRM-UHFFFAOYSA-N 0 3 395.547 3.428 20 10 GGCDHN CCCCNC(=O)[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000092710168 1410193982 /nfs/dbraw/zinc/19/39/82/1410193982.db2.gz VAQLPBXJCLWDTF-ZDUSSCGKSA-N 0 3 399.329 3.292 20 10 GGCDHN O=C(NC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000092784325 1410200475 /nfs/dbraw/zinc/20/04/75/1410200475.db2.gz QIMWTTMGMNQGPN-QHCPKHFHSA-N 0 3 393.531 3.308 20 10 GGCDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093281493 1410229576 /nfs/dbraw/zinc/22/95/76/1410229576.db2.gz NGACRSVPVNMSLF-SFHVURJKSA-N 0 3 391.531 3.037 20 10 GGCDHN CCN(C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1)S(C)(=O)=O ZINC000093320629 1410233770 /nfs/dbraw/zinc/23/37/70/1410233770.db2.gz BSZWTNWMFUPNDD-UHFFFAOYSA-N 0 3 388.533 3.305 20 10 GGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COCc1cccs1)C[C@@H]1CCCO1 ZINC000098072157 1410406204 /nfs/dbraw/zinc/40/62/04/1410406204.db2.gz GXLNZEBQNAHWHR-ROUUACIJSA-N 0 3 377.506 3.012 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COCc1cccs1)C[C@@H]1CCCO1 ZINC000098072157 1410406220 /nfs/dbraw/zinc/40/62/20/1410406220.db2.gz GXLNZEBQNAHWHR-ROUUACIJSA-N 0 3 377.506 3.012 20 10 GGCDHN CCN1CCN(CCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000101660509 1410487869 /nfs/dbraw/zinc/48/78/69/1410487869.db2.gz HVDAZKJADPINEO-UHFFFAOYSA-N 0 3 386.584 3.099 20 10 GGCDHN CCC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1[O-] ZINC000103479529 1410862328 /nfs/dbraw/zinc/86/23/28/1410862328.db2.gz HIEKYOKVHMJNCQ-UHFFFAOYSA-N 0 3 397.519 3.470 20 10 GGCDHN CCC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1[O-] ZINC000103479529 1410862329 /nfs/dbraw/zinc/86/23/29/1410862329.db2.gz HIEKYOKVHMJNCQ-UHFFFAOYSA-N 0 3 397.519 3.470 20 10 GGCDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccccn2)c(C)n1-c1ccccn1 ZINC000107262310 1411355629 /nfs/dbraw/zinc/35/56/29/1411355629.db2.gz BEQRTPQLRBVSSY-UHFFFAOYSA-N 0 3 377.492 3.088 20 10 GGCDHN Nc1ccc(F)c(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000177064778 1428574983 /nfs/dbraw/zinc/57/49/83/1428574983.db2.gz BNFCKSNSYXAJJQ-KRWDZBQOSA-N 0 3 387.455 3.123 20 10 GGCDHN Nc1ccc(F)c(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000177064778 1428574988 /nfs/dbraw/zinc/57/49/88/1428574988.db2.gz BNFCKSNSYXAJJQ-KRWDZBQOSA-N 0 3 387.455 3.123 20 10 GGCDHN NC(=O)c1ccc(NC(=O)CCN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000109760973 1411807831 /nfs/dbraw/zinc/80/78/31/1411807831.db2.gz JDGJVUNVZLLYIM-UHFFFAOYSA-N 0 3 393.443 3.115 20 10 GGCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCc2ccccc21 ZINC000109761815 1411808374 /nfs/dbraw/zinc/80/83/74/1411808374.db2.gz QPRTVNBMOKRUTA-FQEVSTJZSA-N 0 3 380.488 3.353 20 10 GGCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCc2ccccc21 ZINC000109761815 1411808376 /nfs/dbraw/zinc/80/83/76/1411808376.db2.gz QPRTVNBMOKRUTA-FQEVSTJZSA-N 0 3 380.488 3.353 20 10 GGCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)N1CCc2ccccc21 ZINC000109761818 1411808428 /nfs/dbraw/zinc/80/84/28/1411808428.db2.gz QPRTVNBMOKRUTA-HXUWFJFHSA-N 0 3 380.488 3.353 20 10 GGCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)N1CCc2ccccc21 ZINC000109761818 1411808429 /nfs/dbraw/zinc/80/84/29/1411808429.db2.gz QPRTVNBMOKRUTA-HXUWFJFHSA-N 0 3 380.488 3.353 20 10 GGCDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(N(C)C)c(F)c3)cc2)C[C@@H](C)O1 ZINC000113328401 1412293522 /nfs/dbraw/zinc/29/35/22/1412293522.db2.gz JBVGTJNVXKEECP-IAGOWNOFSA-N 0 3 399.510 3.431 20 10 GGCDHN COc1ccc(O)c(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000114583421 1412466715 /nfs/dbraw/zinc/46/67/15/1412466715.db2.gz BXDLDLYRGNPXEG-INIZCTEOSA-N 0 3 375.494 3.099 20 10 GGCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000116392738 1412854103 /nfs/dbraw/zinc/85/41/03/1412854103.db2.gz SVHJABDPRVUAKE-OAQYLSRUSA-N 0 3 378.520 3.210 20 10 GGCDHN C[C@@H](c1ccccc1)[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000119275535 1413397101 /nfs/dbraw/zinc/39/71/01/1413397101.db2.gz FTKWJPOMZLYYSK-INIZCTEOSA-N 0 3 381.476 3.286 20 10 GGCDHN C[C@@H](c1ccccc1)[N@@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000119275535 1413397104 /nfs/dbraw/zinc/39/71/04/1413397104.db2.gz FTKWJPOMZLYYSK-INIZCTEOSA-N 0 3 381.476 3.286 20 10 GGCDHN CCN(CC)c1ccc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000119495595 1413465976 /nfs/dbraw/zinc/46/59/76/1413465976.db2.gz MCRVTOOPQYBRTC-MRXNPFEDSA-N 0 3 375.538 3.373 20 10 GGCDHN CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]Cc2ccccc2[O-])CC1 ZINC000119980806 1413641161 /nfs/dbraw/zinc/64/11/61/1413641161.db2.gz QPASAAQRGUOGBM-UHFFFAOYSA-N 0 3 388.533 3.244 20 10 GGCDHN Cc1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000122014336 1414340480 /nfs/dbraw/zinc/34/04/80/1414340480.db2.gz ASVICCBRRMHNQM-SFHVURJKSA-N 0 3 382.552 3.016 20 10 GGCDHN COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1OC ZINC000122260636 1414404716 /nfs/dbraw/zinc/40/47/16/1414404716.db2.gz MBYWLKYGCQYLKN-UHFFFAOYSA-N 0 3 383.492 3.487 20 10 GGCDHN COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1[N+](=O)[O-] ZINC000122290540 1414413751 /nfs/dbraw/zinc/41/37/51/1414413751.db2.gz OCCRDVXRMORPQX-UHFFFAOYSA-N 0 3 398.463 3.386 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc(C[S@](C)=O)c3)c2)CC1 ZINC000122305943 1414419337 /nfs/dbraw/zinc/41/93/37/1414419337.db2.gz DGDNGOZPCNRVRT-MUUNZHRXSA-N 0 3 399.560 3.348 20 10 GGCDHN COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c(OC)c1 ZINC000122492670 1414480476 /nfs/dbraw/zinc/48/04/76/1414480476.db2.gz QNMUKSBTXQOHPB-UHFFFAOYSA-N 0 3 383.492 3.487 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)ncn4C)c2)CC1 ZINC000123265947 1414682440 /nfs/dbraw/zinc/68/24/40/1414682440.db2.gz ZEIVOBRYSRFHIK-UHFFFAOYSA-N 0 3 377.492 3.356 20 10 GGCDHN Cc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000123285429 1414687762 /nfs/dbraw/zinc/68/77/62/1414687762.db2.gz HHDVJXMDKQGKET-UHFFFAOYSA-N 0 3 397.479 3.268 20 10 GGCDHN COc1cccc(OC)c1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000123297705 1414690723 /nfs/dbraw/zinc/69/07/23/1414690723.db2.gz HFIKRGHPCLMZEJ-UHFFFAOYSA-N 0 3 383.492 3.487 20 10 GGCDHN Cc1c([O-])ccc2c(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc12 ZINC000123298700 1414691271 /nfs/dbraw/zinc/69/12/71/1414691271.db2.gz NQLMDQIIWGSZMU-MRXNPFEDSA-N 0 3 394.471 3.494 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-n4cnnc4)cc3)c2)CC1 ZINC000123306860 1414693268 /nfs/dbraw/zinc/69/32/68/1414693268.db2.gz OOISAWJKDCKIFI-UHFFFAOYSA-N 0 3 390.491 3.050 20 10 GGCDHN COc1ccc2c(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000123316724 1414695243 /nfs/dbraw/zinc/69/52/43/1414695243.db2.gz NHVHYCRLGOPBIF-INIZCTEOSA-N 0 3 394.471 3.489 20 10 GGCDHN C[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177772723 1428855221 /nfs/dbraw/zinc/85/52/21/1428855221.db2.gz AAUVPGSBWGVNJD-KRWDZBQOSA-N 0 3 395.482 3.153 20 10 GGCDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000124708388 1415026910 /nfs/dbraw/zinc/02/69/10/1415026910.db2.gz GSQYIKPTCIJWAT-CVDCTZTESA-N 0 3 390.531 3.383 20 10 GGCDHN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000125208522 1415130798 /nfs/dbraw/zinc/13/07/98/1415130798.db2.gz GQTSWSNHNOTDKK-QGZVFWFLSA-N 0 3 389.565 3.431 20 10 GGCDHN C[C@H](NCC(=O)N1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000177981287 1428913870 /nfs/dbraw/zinc/91/38/70/1428913870.db2.gz AYILIWQXLITHNR-SFHVURJKSA-N 0 3 379.504 3.153 20 10 GGCDHN Cc1ccccc1S(=O)(=O)[N-]c1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000126589987 1415501139 /nfs/dbraw/zinc/50/11/39/1415501139.db2.gz KTVLMGUYXKQQFG-UHFFFAOYSA-N 0 3 385.533 3.328 20 10 GGCDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000126992689 1415629246 /nfs/dbraw/zinc/62/92/46/1415629246.db2.gz WHNZSHPQNXHESI-HXUWFJFHSA-N 0 3 389.540 3.355 20 10 GGCDHN COc1ccc(O)c(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000127287369 1415720536 /nfs/dbraw/zinc/72/05/36/1415720536.db2.gz CKFORHDKUBHARJ-WOJBJXKFSA-N 0 3 376.884 3.216 20 10 GGCDHN CCN(CC)C(=O)CN1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000129220310 1416173227 /nfs/dbraw/zinc/17/32/27/1416173227.db2.gz MVSPRQQEMOUMJH-UHFFFAOYSA-N 0 3 386.584 3.053 20 10 GGCDHN COc1cc(Br)cc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000132053270 1416683320 /nfs/dbraw/zinc/68/33/20/1416683320.db2.gz LGWMGJJQEAFMIP-GOSISDBHSA-N 0 3 378.266 3.087 20 10 GGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133827000 1416971071 /nfs/dbraw/zinc/97/10/71/1416971071.db2.gz NAGSHNXHLDCNTG-MRXNPFEDSA-N 0 3 375.538 3.244 20 10 GGCDHN Fc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 ZINC000139819355 1417475774 /nfs/dbraw/zinc/47/57/74/1417475774.db2.gz JSMFWPMXAAOPFT-UHFFFAOYSA-N 0 3 395.457 3.371 20 10 GGCDHN Fc1cc(CNCc2ccccc2)ccc1N1CCN(c2ncccn2)CC1 ZINC000139819860 1417475838 /nfs/dbraw/zinc/47/58/38/1417475838.db2.gz XBSWQUAENSIZCL-UHFFFAOYSA-N 0 3 377.467 3.232 20 10 GGCDHN Fc1cc(CNCc2cccs2)ccc1N1CCN(c2ncccn2)CC1 ZINC000139815568 1417476294 /nfs/dbraw/zinc/47/62/94/1417476294.db2.gz OOJDRHVWMGOQRS-UHFFFAOYSA-N 0 3 383.496 3.294 20 10 GGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000151549511 1418021234 /nfs/dbraw/zinc/02/12/34/1418021234.db2.gz TZIPMORDXWVTMZ-INIZCTEOSA-N 0 3 395.482 3.218 20 10 GGCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000151581607 1418031370 /nfs/dbraw/zinc/03/13/70/1418031370.db2.gz RBHMIEXTASDTBH-SOKVYYICSA-N 0 3 386.561 3.484 20 10 GGCDHN Cc1cc2ncc([C@H](C)NCc3ccc(N4CCC(CO)CC4)cc3)c(C)n2n1 ZINC000179405660 1429361722 /nfs/dbraw/zinc/36/17/22/1429361722.db2.gz JETQCRGNTCUPCR-KRWDZBQOSA-N 0 3 393.535 3.406 20 10 GGCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cccc2nccn21 ZINC000179418140 1429366923 /nfs/dbraw/zinc/36/69/23/1429366923.db2.gz HDMGQBPYFHSBKG-UHFFFAOYSA-N 0 3 390.409 3.480 20 10 GGCDHN O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179559882 1429432772 /nfs/dbraw/zinc/43/27/72/1429432772.db2.gz MHJSDBDJTGAMSH-CQSZACIVSA-N 0 3 390.281 3.400 20 10 GGCDHN O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179559882 1429432777 /nfs/dbraw/zinc/43/27/77/1429432777.db2.gz MHJSDBDJTGAMSH-CQSZACIVSA-N 0 3 390.281 3.400 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000153948761 1422815571 /nfs/dbraw/zinc/81/55/71/1422815571.db2.gz FGSFJFQMEBQWER-SFHVURJKSA-N 0 3 397.519 3.099 20 10 GGCDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155677685 1423482656 /nfs/dbraw/zinc/48/26/56/1423482656.db2.gz YLARTZWZVCMJCV-UHFFFAOYSA-N 0 3 396.510 3.475 20 10 GGCDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cc(F)ccc3O)C2)cc1 ZINC000180057606 1429717284 /nfs/dbraw/zinc/71/72/84/1429717284.db2.gz NTQGKEYUSLOBIU-MRXNPFEDSA-N 0 3 392.496 3.030 20 10 GGCDHN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000159083293 1424412883 /nfs/dbraw/zinc/41/28/83/1424412883.db2.gz BVWQUZHBCQWOEK-QGZVFWFLSA-N 0 3 388.533 3.168 20 10 GGCDHN CCNC(=O)COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000159219934 1424449012 /nfs/dbraw/zinc/44/90/12/1424449012.db2.gz OBDMRCQKAWHLOA-INIZCTEOSA-N 0 3 385.508 3.127 20 10 GGCDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(-c2cccnc2)n1 ZINC000160178929 1424584042 /nfs/dbraw/zinc/58/40/42/1424584042.db2.gz ITLNKKIDUUHYPV-HXUWFJFHSA-N 0 3 378.476 3.369 20 10 GGCDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(-c2cccnc2)n1 ZINC000160178929 1424584053 /nfs/dbraw/zinc/58/40/53/1424584053.db2.gz ITLNKKIDUUHYPV-HXUWFJFHSA-N 0 3 378.476 3.369 20 10 GGCDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000160199955 1424586438 /nfs/dbraw/zinc/58/64/38/1424586438.db2.gz OHWXNQOYWQJPQW-HXUWFJFHSA-N 0 3 378.476 3.369 20 10 GGCDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000160199955 1424586446 /nfs/dbraw/zinc/58/64/46/1424586446.db2.gz OHWXNQOYWQJPQW-HXUWFJFHSA-N 0 3 378.476 3.369 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H]1CCCO1 ZINC000160198518 1424586548 /nfs/dbraw/zinc/58/65/48/1424586548.db2.gz VOLLKAKNGPXYCD-OAQYLSRUSA-N 0 3 382.504 3.410 20 10 GGCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1N1CCOCC1)C[C@H]1CCCO1 ZINC000160198518 1424586551 /nfs/dbraw/zinc/58/65/51/1424586551.db2.gz VOLLKAKNGPXYCD-OAQYLSRUSA-N 0 3 382.504 3.410 20 10 GGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000161419370 1424687244 /nfs/dbraw/zinc/68/72/44/1424687244.db2.gz OHRKRWWRMMABQA-CVEARBPZSA-N 0 3 375.538 3.463 20 10 GGCDHN C[C@@H](NCc1ccccc1N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161473468 1424693354 /nfs/dbraw/zinc/69/33/54/1424693354.db2.gz VLYAJDVJLJHFPR-GOSISDBHSA-N 0 3 399.510 3.350 20 10 GGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000161519412 1424698446 /nfs/dbraw/zinc/69/84/46/1424698446.db2.gz GMDGZZQMYUFPRY-JKSUJKDBSA-N 0 3 375.538 3.415 20 10 GGCDHN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000161519282 1424698985 /nfs/dbraw/zinc/69/89/85/1424698985.db2.gz GMDGZZQMYUFPRY-CVEARBPZSA-N 0 3 375.538 3.415 20 10 GGCDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000162453426 1424854190 /nfs/dbraw/zinc/85/41/90/1424854190.db2.gz IJVUMURPONKFHQ-GOSISDBHSA-N 0 3 387.549 3.306 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4nccnc4c3)c2)CC1 ZINC000162980606 1424916775 /nfs/dbraw/zinc/91/67/75/1424916775.db2.gz FUKJXLYIQQTOPP-UHFFFAOYSA-N 0 3 375.476 3.413 20 10 GGCDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000163581126 1425020990 /nfs/dbraw/zinc/02/09/90/1425020990.db2.gz ZWADUNFNJHTKEL-INIZCTEOSA-N 0 3 390.574 3.494 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000163581251 1425021154 /nfs/dbraw/zinc/02/11/54/1425021154.db2.gz ZWADUNFNJHTKEL-MRXNPFEDSA-N 0 3 390.574 3.494 20 10 GGCDHN COc1cccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1O ZINC000173416927 1426599469 /nfs/dbraw/zinc/59/94/69/1426599469.db2.gz GXNFOPGVGNJJKK-HNNXBMFYSA-N 0 3 375.494 3.099 20 10 GGCDHN Cc1cc(O)c(CNCc2ccccc2S(=O)(=O)N2CCCCC2)cc1C ZINC000174260922 1427073868 /nfs/dbraw/zinc/07/38/68/1427073868.db2.gz AEABMYOUANUPSN-UHFFFAOYSA-N 0 3 388.533 3.473 20 10 GGCDHN Cc1cc(O)c(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1C ZINC000174308112 1427094685 /nfs/dbraw/zinc/09/46/85/1427094685.db2.gz MGHWOQHNYISGFP-UHFFFAOYSA-N 0 3 376.522 3.376 20 10 GGCDHN CCCN(CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccccc1O ZINC000174372510 1427125516 /nfs/dbraw/zinc/12/55/16/1427125516.db2.gz NWODZUNGUQBVIB-UHFFFAOYSA-N 0 3 387.549 3.010 20 10 GGCDHN Cc1cc(C(=O)NCCCN2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175777009 1427888931 /nfs/dbraw/zinc/88/89/31/1427888931.db2.gz CGYFDOMBOHOAFS-UHFFFAOYSA-N 0 3 382.552 3.078 20 10 GGCDHN CCOCc1cc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1OC ZINC000180216348 1429804342 /nfs/dbraw/zinc/80/43/42/1429804342.db2.gz DMGVDRHJSXTXMA-INIZCTEOSA-N 0 3 390.430 3.405 20 10 GGCDHN CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180254841 1429815985 /nfs/dbraw/zinc/81/59/85/1429815985.db2.gz NBILQLJLJVIOIC-UHFFFAOYSA-N 0 3 382.476 3.427 20 10 GGCDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000180413447 1429861705 /nfs/dbraw/zinc/86/17/05/1429861705.db2.gz XJBFLVBVDIUGGA-CQSZACIVSA-N 0 3 380.485 3.413 20 10 GGCDHN O=S(=O)(c1ccc(CC[NH2+]Cc2cc(F)ccc2[O-])s1)N1CCCCC1 ZINC000180816401 1430055765 /nfs/dbraw/zinc/05/57/65/1430055765.db2.gz SNCRWOMMPLNULJ-UHFFFAOYSA-N 0 3 398.525 3.100 20 10 GGCDHN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181177035 1430238607 /nfs/dbraw/zinc/23/86/07/1430238607.db2.gz QNPBIYKNFZKUEN-FXAWDEMLSA-N 0 3 381.524 3.257 20 10 GGCDHN Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(N4CCCCC4)cc3)C2=O)n(C)n1 ZINC000181188506 1430242381 /nfs/dbraw/zinc/24/23/81/1430242381.db2.gz HRQBGRUUTDNLIN-PXNSSMCTSA-N 0 3 381.524 3.175 20 10 GGCDHN Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(N4CCCCC4)cc3)C2=O)n(C)n1 ZINC000181188547 1430242403 /nfs/dbraw/zinc/24/24/03/1430242403.db2.gz HRQBGRUUTDNLIN-XLIONFOSSA-N 0 3 381.524 3.175 20 10 GGCDHN C[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181250602 1430256664 /nfs/dbraw/zinc/25/66/64/1430256664.db2.gz GTYIFOOAWJBNCN-WZQKQDCOSA-N 0 3 376.497 3.251 20 10 GGCDHN C[C@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000181345274 1430278305 /nfs/dbraw/zinc/27/83/05/1430278305.db2.gz PTTPRFDAGWRCQH-KSZLIROESA-N 0 3 399.510 3.406 20 10 GGCDHN C[C@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000181345289 1430278313 /nfs/dbraw/zinc/27/83/13/1430278313.db2.gz PTTPRFDAGWRCQH-BZSNNMDCSA-N 0 3 399.510 3.406 20 10 GGCDHN CCN(C)c1ccc([C@@H](C)NCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000181503986 1430311606 /nfs/dbraw/zinc/31/16/06/1430311606.db2.gz OXHJJEMUZLGROG-OAHLLOKOSA-N 0 3 381.567 3.176 20 10 GGCDHN CC[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C)cc1 ZINC000181699394 1430343788 /nfs/dbraw/zinc/34/37/88/1430343788.db2.gz MDFYKMPFXPAWDL-NRFANRHFSA-N 0 3 399.510 3.328 20 10 GGCDHN CCC[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000181778893 1430358189 /nfs/dbraw/zinc/35/81/89/1430358189.db2.gz QQBQYQKIHFLUPP-NRFANRHFSA-N 0 3 399.510 3.410 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C)nn2-c2ccccc2F)c1 ZINC000182356480 1430452966 /nfs/dbraw/zinc/45/29/66/1430452966.db2.gz BEHNBUUNWJGHIP-CQSZACIVSA-N 0 3 398.438 3.323 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000182404297 1430461331 /nfs/dbraw/zinc/46/13/31/1430461331.db2.gz GAENNFSUELNLNN-SNVBAGLBSA-N 0 3 375.425 3.439 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000182453768 1430470475 /nfs/dbraw/zinc/47/04/75/1430470475.db2.gz FCPVNJJIKCBLIX-LBPRGKRZSA-N 0 3 398.381 3.266 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000183098180 1430612075 /nfs/dbraw/zinc/61/20/75/1430612075.db2.gz PFILVFOJYLCXRO-HXUWFJFHSA-N 0 3 382.504 3.125 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000183098180 1430612080 /nfs/dbraw/zinc/61/20/80/1430612080.db2.gz PFILVFOJYLCXRO-HXUWFJFHSA-N 0 3 382.504 3.125 20 10 GGCDHN COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC000183598496 1430750587 /nfs/dbraw/zinc/75/05/87/1430750587.db2.gz BXLJWYAOWGEOPB-MRXNPFEDSA-N 0 3 398.503 3.425 20 10 GGCDHN C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1[O-] ZINC000183634360 1430759754 /nfs/dbraw/zinc/75/97/54/1430759754.db2.gz BTZACSSUZGJZHB-GFCCVEGCSA-N 0 3 389.395 3.415 20 10 GGCDHN Cc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000184069780 1430837316 /nfs/dbraw/zinc/83/73/16/1430837316.db2.gz YHLIPIXDZYUXRN-SFHVURJKSA-N 0 3 382.552 3.158 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)c2)CC1 ZINC000184255861 1430863330 /nfs/dbraw/zinc/86/33/30/1430863330.db2.gz UQNBYNNCPZUDBU-UHFFFAOYSA-N 0 3 397.479 3.055 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)c(NC(C)=O)c3)c2)CC1 ZINC000184257353 1430863338 /nfs/dbraw/zinc/86/33/38/1430863338.db2.gz MZFIRLIRJCJNBV-UHFFFAOYSA-N 0 3 384.455 3.178 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(-c4nc(C)no4)cc3)c2)CC1 ZINC000184265505 1430864823 /nfs/dbraw/zinc/86/48/23/1430864823.db2.gz SXCDWQNAEWJBIT-UHFFFAOYSA-N 0 3 391.475 3.439 20 10 GGCDHN CCN(C)C(=O)c1cccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)c1 ZINC000184271337 1430865735 /nfs/dbraw/zinc/86/57/35/1430865735.db2.gz HNYQXWKLEPHEFE-UHFFFAOYSA-N 0 3 394.519 3.173 20 10 GGCDHN CCOc1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1OC ZINC000184273021 1430865837 /nfs/dbraw/zinc/86/58/37/1430865837.db2.gz JSTUMNVFDQXHKA-UHFFFAOYSA-N 0 3 383.492 3.488 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)c2)CC1 ZINC000184280710 1430867151 /nfs/dbraw/zinc/86/71/51/1430867151.db2.gz GRWZLTBOKRMDJH-UHFFFAOYSA-N 0 3 396.516 3.125 20 10 GGCDHN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185136069 1431070063 /nfs/dbraw/zinc/07/00/63/1431070063.db2.gz OEKNXNFCESDJRS-CQSZACIVSA-N 0 3 380.485 3.210 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000185138087 1431070292 /nfs/dbraw/zinc/07/02/92/1431070292.db2.gz UTKCSDSQOUXMKR-KXBFYZLASA-N 0 3 384.476 3.160 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 ZINC000185138118 1431070476 /nfs/dbraw/zinc/07/04/76/1431070476.db2.gz UTKCSDSQOUXMKR-HNAYVOBHSA-N 0 3 384.476 3.160 20 10 GGCDHN C[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1[O-] ZINC000185178561 1431078545 /nfs/dbraw/zinc/07/85/45/1431078545.db2.gz QQWZUOPUDUQOGV-HNNXBMFYSA-N 0 3 389.446 3.060 20 10 GGCDHN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)ccc1[O-] ZINC000185178910 1431078563 /nfs/dbraw/zinc/07/85/63/1431078563.db2.gz YLGRCJVZHINKFP-AWEZNQCLSA-N 0 3 378.469 3.167 20 10 GGCDHN COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185255304 1431094766 /nfs/dbraw/zinc/09/47/66/1431094766.db2.gz VYUCLJCWPQQUBQ-HNNXBMFYSA-N 0 3 386.467 3.424 20 10 GGCDHN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185356137 1431124889 /nfs/dbraw/zinc/12/48/89/1431124889.db2.gz JUMLKOJONGBZCY-AWEZNQCLSA-N 0 3 380.485 3.210 20 10 GGCDHN O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CN1Cc1ccccc1C(F)(F)F ZINC000185655211 1431197255 /nfs/dbraw/zinc/19/72/55/1431197255.db2.gz SSOKZIITAJIKRL-OAHLLOKOSA-N 0 3 382.357 3.441 20 10 GGCDHN Cc1ccc([C@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c([O-])c1 ZINC000186062643 1431322398 /nfs/dbraw/zinc/32/23/98/1431322398.db2.gz QOLDDDSQNUIIAI-IBGZPJMESA-N 0 3 381.520 3.480 20 10 GGCDHN C[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000186062707 1431322544 /nfs/dbraw/zinc/32/25/44/1431322544.db2.gz YAAFJODGPIZZIS-KRWDZBQOSA-N 0 3 385.483 3.311 20 10 GGCDHN C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000186062725 1431322608 /nfs/dbraw/zinc/32/26/08/1431322608.db2.gz YAAFJODGPIZZIS-QGZVFWFLSA-N 0 3 385.483 3.311 20 10 GGCDHN COc1cc(O)c(CN2CCC(O)(Cc3cccc(F)c3)CC2)cc1OC ZINC000186587530 1431461909 /nfs/dbraw/zinc/46/19/09/1431461909.db2.gz SMJHHCHUPHZOCY-UHFFFAOYSA-N 0 3 375.440 3.118 20 10 GGCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccccc1[O-] ZINC000186704870 1431496603 /nfs/dbraw/zinc/49/66/03/1431496603.db2.gz BRCDMXKIRVKNRB-QGZVFWFLSA-N 0 3 378.469 3.312 20 10 GGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc(F)ccc1[O-] ZINC000186709542 1431497719 /nfs/dbraw/zinc/49/77/19/1431497719.db2.gz KDZDLBNQDCNMRG-GFCCVEGCSA-N 0 3 382.432 3.061 20 10 GGCDHN CN1C(=O)CCc2cc(C[N@@H+](Cc3ccccc3[O-])C[C@@H]3CCCO3)ccc21 ZINC000186808941 1431522839 /nfs/dbraw/zinc/52/28/39/1431522839.db2.gz LJNCRYHXBGBZQZ-FQEVSTJZSA-N 0 3 380.488 3.482 20 10 GGCDHN CN1C(=O)CCc2cc(C[N@H+](Cc3ccccc3[O-])C[C@@H]3CCCO3)ccc21 ZINC000186808941 1431522841 /nfs/dbraw/zinc/52/28/41/1431522841.db2.gz LJNCRYHXBGBZQZ-FQEVSTJZSA-N 0 3 380.488 3.482 20 10 GGCDHN CN1C(=O)CCc2cc(C[N@@H+](Cc3ccccc3[O-])C[C@H]3CCCO3)ccc21 ZINC000186808961 1431523094 /nfs/dbraw/zinc/52/30/94/1431523094.db2.gz LJNCRYHXBGBZQZ-HXUWFJFHSA-N 0 3 380.488 3.482 20 10 GGCDHN CN1C(=O)CCc2cc(C[N@H+](Cc3ccccc3[O-])C[C@H]3CCCO3)ccc21 ZINC000186808961 1431523098 /nfs/dbraw/zinc/52/30/98/1431523098.db2.gz LJNCRYHXBGBZQZ-HXUWFJFHSA-N 0 3 380.488 3.482 20 10 GGCDHN C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187747841 1431807618 /nfs/dbraw/zinc/80/76/18/1431807618.db2.gz FQMFJPIQDMANNO-CQSZACIVSA-N 0 3 376.447 3.478 20 10 GGCDHN CCN1CCN(c2ccc(CNCc3ccc(N(C)C(C)C)nc3)cc2F)CC1 ZINC000190982032 1432542971 /nfs/dbraw/zinc/54/29/71/1432542971.db2.gz ZFVMJIAXOSBRRK-UHFFFAOYSA-N 0 3 399.558 3.497 20 10 GGCDHN Oc1cc2c(cc1CN1CCCN(c3nnc(C(F)(F)F)s3)CC1)CCC2 ZINC000191933219 1432759388 /nfs/dbraw/zinc/75/93/88/1432759388.db2.gz VQRLTMRQPIJGIF-UHFFFAOYSA-N 0 3 398.454 3.464 20 10 GGCDHN COc1ccc(N2CCN(C(=O)CN[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000192503784 1432852116 /nfs/dbraw/zinc/85/21/16/1432852116.db2.gz NAWNVXFZPNDJAT-QHCPKHFHSA-N 0 3 379.504 3.085 20 10 GGCDHN CN(C)c1ccc(CNC(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000192751313 1432884642 /nfs/dbraw/zinc/88/46/42/1432884642.db2.gz WNWAOLYAIRLRME-DENIHFKCSA-N 0 3 381.520 3.126 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194067643 1433110807 /nfs/dbraw/zinc/11/08/07/1433110807.db2.gz YXIAAHDWMXZFLP-QGZVFWFLSA-N 0 3 387.549 3.388 20 10 GGCDHN COc1ccc(N2CCN(CCCNCc3c(F)cccc3F)CC2)cc1 ZINC000237270916 1433395232 /nfs/dbraw/zinc/39/52/32/1433395232.db2.gz KUKQYWXYTJJAEI-UHFFFAOYSA-N 0 3 375.463 3.275 20 10 GGCDHN N[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000237869299 1433430369 /nfs/dbraw/zinc/43/03/69/1433430369.db2.gz NRKYXAFIISHCQV-VQIMIIECSA-N 0 3 389.446 3.463 20 10 GGCDHN N[C@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000237872429 1433430392 /nfs/dbraw/zinc/43/03/92/1433430392.db2.gz NRKYXAFIISHCQV-QFBILLFUSA-N 0 3 389.446 3.463 20 10 GGCDHN Nc1ccc(CCNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000237948692 1433436594 /nfs/dbraw/zinc/43/65/94/1433436594.db2.gz KENNEVDHCFHCTD-FQEVSTJZSA-N 0 3 391.437 3.382 20 10 GGCDHN COc1cccc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O ZINC000247878359 1433754743 /nfs/dbraw/zinc/75/47/43/1433754743.db2.gz ZJFOHZKGKVTEAH-OALUTQOASA-N 0 3 376.884 3.216 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000248822671 1433824096 /nfs/dbraw/zinc/82/40/96/1433824096.db2.gz LNQKDAWBNVWENI-GQIGUUNPSA-N 0 3 383.492 3.282 20 10 GGCDHN COc1ccc(N2CCCN(C[C@@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000249737581 1433850443 /nfs/dbraw/zinc/85/04/43/1433850443.db2.gz WPWNHPUKPOQIRL-GOSISDBHSA-N 0 3 390.911 3.301 20 10 GGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1 ZINC000268830041 1434562323 /nfs/dbraw/zinc/56/23/23/1434562323.db2.gz OFVYJSRUJQVPHL-KRWDZBQOSA-N 0 3 399.535 3.469 20 10 GGCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(N2CCOCC2)c1 ZINC000268898291 1434568835 /nfs/dbraw/zinc/56/88/35/1434568835.db2.gz VXTCSLUTCYMWOY-SFHVURJKSA-N 0 3 399.510 3.350 20 10 GGCDHN C[C@@H]1CN(c2ccc(CNC(=O)C[C@H](N)c3ccccc3)cc2F)C[C@H](C)O1 ZINC000269487629 1434652945 /nfs/dbraw/zinc/65/29/45/1434652945.db2.gz IBZNLECJSOBBSS-YRNRMSPPSA-N 0 3 385.483 3.146 20 10 GGCDHN Cc1cc(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N(C)C ZINC000271462033 1434826648 /nfs/dbraw/zinc/82/66/48/1434826648.db2.gz HPERNSLCNJSYNG-MRXNPFEDSA-N 0 3 375.538 3.162 20 10 GGCDHN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271686242 1434844214 /nfs/dbraw/zinc/84/42/14/1434844214.db2.gz JXXKRBQOGDMYJS-KRWDZBQOSA-N 0 3 387.549 3.421 20 10 GGCDHN COc1ccc(O)c(CN2CCCN(Cc3csc([C@H](C)OC)n3)CC2)c1 ZINC000271891974 1434857440 /nfs/dbraw/zinc/85/74/40/1434857440.db2.gz XHCKWLYYCDKVHC-HNNXBMFYSA-N 0 3 391.537 3.273 20 10 GGCDHN CO[C@H](C)c1nc(CN2CCCN(Cc3cc(F)ccc3O)CC2)cs1 ZINC000272441893 1434896560 /nfs/dbraw/zinc/89/65/60/1434896560.db2.gz OQEGTLYSXQWTQF-CQSZACIVSA-N 0 3 379.501 3.403 20 10 GGCDHN CO[C@@H](C)c1nc(CN2CCCN(Cc3cc(F)ccc3O)CC2)cs1 ZINC000272441884 1434896608 /nfs/dbraw/zinc/89/66/08/1434896608.db2.gz OQEGTLYSXQWTQF-AWEZNQCLSA-N 0 3 379.501 3.403 20 10 GGCDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000272575505 1434909702 /nfs/dbraw/zinc/90/97/02/1434909702.db2.gz DJKKTZALJLXRJU-PHRJPNOBSA-N 0 3 382.460 3.073 20 10 GGCDHN COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000273502031 1434992939 /nfs/dbraw/zinc/99/29/39/1434992939.db2.gz QGPUWKWBRZOLGV-OAHLLOKOSA-N 0 3 398.507 3.277 20 10 GGCDHN COCCOCCOCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000274399532 1435068107 /nfs/dbraw/zinc/06/81/07/1435068107.db2.gz GLGYDQRWKBQXBF-UHFFFAOYSA-N 0 3 389.492 3.131 20 10 GGCDHN CC[C@@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccccc1[O-] ZINC000274861257 1435098780 /nfs/dbraw/zinc/09/87/80/1435098780.db2.gz CWYNHRRCUWFBGK-UYAOXDASSA-N 0 3 398.503 3.307 20 10 GGCDHN CCOC1CC(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])(N2CCOCC2)C1 ZINC000277817917 1435333201 /nfs/dbraw/zinc/33/32/01/1435333201.db2.gz ZOTJRZMKBCDSKR-UHFFFAOYSA-N 0 3 396.531 3.419 20 10 GGCDHN COc1c([O-])c(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512521 1435396222 /nfs/dbraw/zinc/39/62/22/1435396222.db2.gz QCUBAMVOGHYWQM-YJBOKZPZSA-N 0 3 385.464 3.309 20 10 GGCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cc(C(=O)OC)co3)cc2F)CC1 ZINC000278886331 1435435642 /nfs/dbraw/zinc/43/56/42/1435435642.db2.gz YGQRLGWQMCYZMT-OAHLLOKOSA-N 0 3 389.471 3.198 20 10 GGCDHN COc1c(O)c(CNc2ccccc2CN2CCSCC2)ccc1[N+](=O)[O-] ZINC000278893925 1435436529 /nfs/dbraw/zinc/43/65/29/1435436529.db2.gz QCUUSHPVKVETSC-UHFFFAOYSA-N 0 3 389.477 3.470 20 10 GGCDHN COc1c([O-])c(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278932758 1435441428 /nfs/dbraw/zinc/44/14/28/1435441428.db2.gz WNPQVXUKCWCYJW-AWEZNQCLSA-N 0 3 391.493 3.372 20 10 GGCDHN CN(C)c1ccc(CNCc2ccc(N3CCOCC3)nc2)c(C(F)(F)F)c1 ZINC000280024826 1435578929 /nfs/dbraw/zinc/57/89/29/1435578929.db2.gz UGOLFMYRQMBOIL-UHFFFAOYSA-N 0 3 394.441 3.293 20 10 GGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1[O-] ZINC000283024852 1435870987 /nfs/dbraw/zinc/87/09/87/1435870987.db2.gz MOYLCNLDKDWDKW-INIZCTEOSA-N 0 3 375.856 3.450 20 10 GGCDHN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc(OC)c(OC)cc2O)cc1 ZINC000284299608 1436011295 /nfs/dbraw/zinc/01/12/95/1436011295.db2.gz BNVFVWSAEMMKGB-CYBMUJFWSA-N 0 3 379.478 3.054 20 10 GGCDHN COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1OC ZINC000877830802 1126123073 /nfs/dbraw/zinc/12/30/73/1126123073.db2.gz KYJKIOCUTSEDBB-HXUWFJFHSA-N 0 3 395.883 3.155 20 10 GGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000151375969 564917020 /nfs/dbraw/zinc/91/70/20/564917020.db2.gz WQSUJYWJMNGJLB-XJKSGUPXSA-N 0 3 388.327 3.308 20 10 GGCDHN CC[C@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000155655488 565070276 /nfs/dbraw/zinc/07/02/76/565070276.db2.gz VDIACYZPLNOWPX-YOEHRIQHSA-N 0 3 384.362 3.079 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)NC1CC[NH+](CC)CC1 ZINC000266649093 565087587 /nfs/dbraw/zinc/08/75/87/565087587.db2.gz FDAJXYZCMGXRET-UHFFFAOYSA-N 0 3 384.318 3.171 20 10 GGCDHN CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185014809 565172171 /nfs/dbraw/zinc/17/21/71/565172171.db2.gz LVYNHNJDLOAFKP-OAHLLOKOSA-N 0 3 384.362 3.223 20 10 GGCDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185344817 565196886 /nfs/dbraw/zinc/19/68/86/565196886.db2.gz QDYDOCDPTIECFU-HUUCEWRRSA-N 0 3 384.362 3.079 20 10 GGCDHN C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1[O-] ZINC000185491324 565204476 /nfs/dbraw/zinc/20/44/76/565204476.db2.gz NAHOFYGGVCARSM-KBPBESRZSA-N 0 3 383.330 3.306 20 10 GGCDHN COc1cc(O)c(CN(C)C[C@H](O)c2ccccc2Br)cc1OC ZINC000294806525 565229602 /nfs/dbraw/zinc/22/96/02/565229602.db2.gz IXLQGIBFEBLTRK-INIZCTEOSA-N 0 3 396.281 3.337 20 10 GGCDHN COc1cc(O)c(CN(C)C[C@@H](O)c2ccccc2Br)cc1OC ZINC000294806526 565229634 /nfs/dbraw/zinc/22/96/34/565229634.db2.gz IXLQGIBFEBLTRK-MRXNPFEDSA-N 0 3 396.281 3.337 20 10 GGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000372418119 565235880 /nfs/dbraw/zinc/23/58/80/565235880.db2.gz SDIAWYKGWNARIZ-GXTWGEPZSA-N 0 3 379.302 3.126 20 10 GGCDHN CC[C@@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000186426986 565261148 /nfs/dbraw/zinc/26/11/48/565261148.db2.gz YMHPAPUYLJWEDN-RHSMWYFYSA-N 0 3 384.362 3.221 20 10 GGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000271869439 565270891 /nfs/dbraw/zinc/27/08/91/565270891.db2.gz XGIKGZCGAVQYFP-IAGOWNOFSA-N 0 3 380.282 3.037 20 10 GGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000273041873 565305204 /nfs/dbraw/zinc/30/52/04/565305204.db2.gz WHXLQUOJMKHDNW-CYBMUJFWSA-N 0 3 396.329 3.337 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374076594 565318866 /nfs/dbraw/zinc/31/88/66/565318866.db2.gz FGRBSQPIYZNVKV-HOTGVXAUSA-N 0 3 396.329 3.313 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374076594 565318869 /nfs/dbraw/zinc/31/88/69/565318869.db2.gz FGRBSQPIYZNVKV-HOTGVXAUSA-N 0 3 396.329 3.313 20 10 GGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1[O-] ZINC000187259026 565319171 /nfs/dbraw/zinc/31/91/71/565319171.db2.gz DTXZKXXRTWAFPH-LBPRGKRZSA-N 0 3 393.281 3.178 20 10 GGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1[O-] ZINC000187259013 565319520 /nfs/dbraw/zinc/31/95/20/565319520.db2.gz DTXZKXXRTWAFPH-GFCCVEGCSA-N 0 3 393.281 3.178 20 10 GGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1[O-] ZINC000273474288 565322314 /nfs/dbraw/zinc/32/23/14/565322314.db2.gz KKFHLNXDINRXLB-ZLIFDBKOSA-N 0 3 383.330 3.183 20 10 GGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1[O-] ZINC000273474286 565322701 /nfs/dbraw/zinc/32/27/01/565322701.db2.gz KKFHLNXDINRXLB-VUCTXSBTSA-N 0 3 383.330 3.183 20 10 GGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc(Br)ccc1[O-] ZINC000273534254 565324977 /nfs/dbraw/zinc/32/49/77/565324977.db2.gz WXLZRCCQKHURNH-XZOAIXRZSA-N 0 3 383.330 3.183 20 10 GGCDHN COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000187377665 565327393 /nfs/dbraw/zinc/32/73/93/565327393.db2.gz WHDGOEXHKSYUAE-CYBMUJFWSA-N 0 3 399.329 3.141 20 10 GGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1[O-] ZINC000275399711 565408382 /nfs/dbraw/zinc/40/83/82/565408382.db2.gz CJTIYNTTXLGNER-HOCLYGCPSA-N 0 3 380.286 3.207 20 10 GGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c1[O-] ZINC000275401541 565408553 /nfs/dbraw/zinc/40/85/53/565408553.db2.gz ZXPDXYFTOONSHR-GFCCVEGCSA-N 0 3 378.332 3.329 20 10 GGCDHN Cc1cc(N2CCC([NH2+]Cc3cc(Br)cc(C)c3[O-])CC2)n[nH]1 ZINC000276010736 565432997 /nfs/dbraw/zinc/43/29/97/565432997.db2.gz OMEMJYUPPZWSSA-UHFFFAOYSA-N 0 3 379.302 3.253 20 10 GGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378440229 565528065 /nfs/dbraw/zinc/52/80/65/565528065.db2.gz AMCLPIROGLCEET-SJORKVTESA-N 0 3 394.313 3.285 20 10 GGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378440229 565528070 /nfs/dbraw/zinc/52/80/70/565528070.db2.gz AMCLPIROGLCEET-SJORKVTESA-N 0 3 394.313 3.285 20 10 GGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194749813 565833518 /nfs/dbraw/zinc/83/35/18/565833518.db2.gz MLLFNJWABZEUKZ-UHFFFAOYSA-N 0 3 381.314 3.378 20 10 GGCDHN COc1cc(Br)cc(C[NH2+]C2CCN(c3nccs3)CC2)c1[O-] ZINC000366986288 566179413 /nfs/dbraw/zinc/17/94/13/566179413.db2.gz ATZOFNCCTGGERJ-UHFFFAOYSA-N 0 3 398.326 3.378 20 10 GGCDHN Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1[O-] ZINC000367752437 566214260 /nfs/dbraw/zinc/21/42/60/566214260.db2.gz GQLQAJZONUSSGY-IXDOHACOSA-N 0 3 383.330 3.147 20 10 GGCDHN CN(C)CCNC(=O)c1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000527765293 567373457 /nfs/dbraw/zinc/37/34/57/567373457.db2.gz UTMKNDOGEYNEBS-UHFFFAOYSA-N 0 3 392.297 3.058 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H]1CCCc3ccccc31)cc2=O ZINC000103509965 570886191 /nfs/dbraw/zinc/88/61/91/570886191.db2.gz GHFVEBKCFKTPTI-GOSISDBHSA-N 0 3 380.448 3.121 20 10 GGCDHN Cc1cc(O)c(C[NH+]2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000737281019 598243507 /nfs/dbraw/zinc/24/35/07/598243507.db2.gz YKIKVJOMWHKHTH-UHFFFAOYSA-N 0 3 379.464 3.233 20 10 GGCDHN COc1ccc(N2CCC[N@@H+]([C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737099626 599312301 /nfs/dbraw/zinc/31/23/01/599312301.db2.gz ODYJGCNIQMHSQW-MRXNPFEDSA-N 0 3 378.480 3.149 20 10 GGCDHN COc1ccc(N2CCC[N@H+]([C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737099626 599312302 /nfs/dbraw/zinc/31/23/02/599312302.db2.gz ODYJGCNIQMHSQW-MRXNPFEDSA-N 0 3 378.480 3.149 20 10 GGCDHN COc1ccc(N2CCC[N@@H+]([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737099626 599312303 /nfs/dbraw/zinc/31/23/03/599312303.db2.gz ODYJGCNIQMHSQW-MRXNPFEDSA-N 0 3 378.480 3.149 20 10 GGCDHN COc1ccc(N2CCC[N@H+]([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737099626 599312304 /nfs/dbraw/zinc/31/23/04/599312304.db2.gz ODYJGCNIQMHSQW-MRXNPFEDSA-N 0 3 378.480 3.149 20 10 GGCDHN Cc1cc(C)c(O)c(C[NH+]2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826263852 607846514 /nfs/dbraw/zinc/84/65/14/607846514.db2.gz SOBJPNJSPWIBOI-UHFFFAOYSA-N 0 3 379.464 3.233 20 10 GGCDHN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000825319169 608547514 /nfs/dbraw/zinc/54/75/14/608547514.db2.gz ZVMCWHDJCYVFCV-UHFFFAOYSA-N 0 3 392.507 3.116 20 10 GGCDHN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000825319169 608547515 /nfs/dbraw/zinc/54/75/15/608547515.db2.gz ZVMCWHDJCYVFCV-UHFFFAOYSA-N 0 3 392.507 3.116 20 10 GGCDHN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000825319169 608547516 /nfs/dbraw/zinc/54/75/16/608547516.db2.gz ZVMCWHDJCYVFCV-UHFFFAOYSA-N 0 3 392.507 3.116 20 10 GGCDHN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000825319169 608547517 /nfs/dbraw/zinc/54/75/17/608547517.db2.gz ZVMCWHDJCYVFCV-UHFFFAOYSA-N 0 3 392.507 3.116 20 10 GGCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000025359888 1399802806 /nfs/dbraw/zinc/80/28/06/1399802806.db2.gz IQTNDMDIGWUCJJ-JOCHJYFZSA-N 0 3 393.531 3.051 20 10 GGCDHN O=C(NC1CC1)c1ccc(CN(Cc2cc3c(cc2O)OCO3)C2CC2)cc1 ZINC000027538997 1400052148 /nfs/dbraw/zinc/05/21/48/1400052148.db2.gz RLFGSOSHCVWKHG-UHFFFAOYSA-N 0 3 380.444 3.178 20 10 GGCDHN CC(C)[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000052007063 1405897465 /nfs/dbraw/zinc/89/74/65/1405897465.db2.gz UTVFJHWKYIMLGN-QHCPKHFHSA-N 0 3 399.510 3.265 20 10 GGCDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057646861 1407675648 /nfs/dbraw/zinc/67/56/48/1407675648.db2.gz PTJMCXZXPIDHBA-UHFFFAOYSA-N 0 3 390.478 3.304 20 10 GGCDHN CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000176466205 1428329129 /nfs/dbraw/zinc/32/91/29/1428329129.db2.gz JZFPETCNZLALGT-UHFFFAOYSA-N 0 3 386.565 3.404 20 10 GGCDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000065984401 1408767565 /nfs/dbraw/zinc/76/75/65/1408767565.db2.gz YAFRIOIFHWCRPM-UHFFFAOYSA-N 0 3 390.478 3.304 20 10 GGCDHN CCN1CCN(C(=O)CC2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)CC1 ZINC000066450410 1408840516 /nfs/dbraw/zinc/84/05/16/1408840516.db2.gz ISOPBHTVPQQQJZ-UHFFFAOYSA-N 0 3 395.547 3.312 20 10 GGCDHN CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(N(C)C)cc2)cc1 ZINC000067977156 1409268207 /nfs/dbraw/zinc/26/82/07/1409268207.db2.gz RHTOYLOAQRWRKV-UHFFFAOYSA-N 0 3 375.538 3.071 20 10 GGCDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc4c(c3)CCO4)cc2)C[C@@H](C)O1 ZINC000067979150 1409269209 /nfs/dbraw/zinc/26/92/09/1409269209.db2.gz WHJFPKYCEJGVBC-IAGOWNOFSA-N 0 3 380.488 3.161 20 10 GGCDHN CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000090462840 1410064261 /nfs/dbraw/zinc/06/42/61/1410064261.db2.gz FDSPXELXVPLSFF-APWZRJJASA-N 0 3 379.570 3.469 20 10 GGCDHN CCOc1cccc(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1O ZINC000092535106 1410169028 /nfs/dbraw/zinc/16/90/28/1410169028.db2.gz JWTQBNMJFIORQN-UHFFFAOYSA-N 0 3 386.467 3.207 20 10 GGCDHN CCCOc1ccc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(O)c1 ZINC000092585700 1410175162 /nfs/dbraw/zinc/17/51/62/1410175162.db2.gz KWLUBTAEEUIOAV-AWEZNQCLSA-N 0 3 378.494 3.021 20 10 GGCDHN O=C(NC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000092784326 1410200132 /nfs/dbraw/zinc/20/01/32/1410200132.db2.gz QIMWTTMGMNQGPN-HSZRJFAPSA-N 0 3 393.531 3.308 20 10 GGCDHN COc1ccc(N2CCC(N[C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000102416426 1410624178 /nfs/dbraw/zinc/62/41/78/1410624178.db2.gz URRQNNZNSNEEIN-JOCHJYFZSA-N 0 3 379.504 3.274 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CNC1(c3cccc(C)c3)CCCC1)cc2=O ZINC000104076795 1410883958 /nfs/dbraw/zinc/88/39/58/1410883958.db2.gz PUXZHCVRHXRNJS-UHFFFAOYSA-N 0 3 394.475 3.479 20 10 GGCDHN CN(CC(=O)Nc1cccc(CN2CCSCC2)c1)Cc1ccccc1O ZINC000109772020 1411809595 /nfs/dbraw/zinc/80/95/95/1411809595.db2.gz DHBRZXXSNPJATI-UHFFFAOYSA-N 0 3 385.533 3.012 20 10 GGCDHN Cc1cc(C(=O)N(C)CCCN2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000110865371 1411874165 /nfs/dbraw/zinc/87/41/65/1411874165.db2.gz HDTNRSWODQYAPE-UHFFFAOYSA-N 0 3 382.552 3.112 20 10 GGCDHN Cc1nc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000112536811 1412165480 /nfs/dbraw/zinc/16/54/80/1412165480.db2.gz FASZXKSCTLHDNK-CABCVRRESA-N 0 3 388.537 3.274 20 10 GGCDHN Cc1nn(C)c2ncc(C[NH2+][C@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)cc12 ZINC000113359134 1412297888 /nfs/dbraw/zinc/29/78/88/1412297888.db2.gz CNAFCZQHFMLCHB-SFHVURJKSA-N 0 3 399.926 3.390 20 10 GGCDHN O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1C[NH2+]Cc1ccccc1[O-] ZINC000113358493 1412298021 /nfs/dbraw/zinc/29/80/21/1412298021.db2.gz KUKNJQLAKVONBV-UHFFFAOYSA-N 0 3 393.487 3.437 20 10 GGCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1F ZINC000114750570 1412518759 /nfs/dbraw/zinc/51/87/59/1412518759.db2.gz ZANDFWFGNIAIBP-IRXDYDNUSA-N 0 3 385.483 3.018 20 10 GGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1F ZINC000114750573 1412518878 /nfs/dbraw/zinc/51/88/78/1412518878.db2.gz ZANDFWFGNIAIBP-DLBZAZTESA-N 0 3 385.483 3.018 20 10 GGCDHN C[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598410 1412727537 /nfs/dbraw/zinc/72/75/37/1412727537.db2.gz GJUYQVRRWQITEQ-PGRDOPGGSA-N 0 3 379.504 3.369 20 10 GGCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000115853886 1412802839 /nfs/dbraw/zinc/80/28/39/1412802839.db2.gz WBRGWIRICKHYGL-UHFFFAOYSA-N 0 3 384.524 3.460 20 10 GGCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000115856207 1412803231 /nfs/dbraw/zinc/80/32/31/1412803231.db2.gz CGIXYHJHLXBELM-UHFFFAOYSA-N 0 3 386.515 3.474 20 10 GGCDHN CC(=O)c1cc(Cl)cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1[O-] ZINC000177362053 1428704489 /nfs/dbraw/zinc/70/44/89/1428704489.db2.gz QRLWNUDMBZEBON-UHFFFAOYSA-N 0 3 380.916 3.325 20 10 GGCDHN CC[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000119081671 1413329796 /nfs/dbraw/zinc/32/97/96/1413329796.db2.gz IOHJXAOFASGKEN-NRFANRHFSA-N 0 3 395.551 3.090 20 10 GGCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000119287468 1413399699 /nfs/dbraw/zinc/39/96/99/1413399699.db2.gz NAKOSYVRTKKQIL-JXFKEZNVSA-N 0 3 396.447 3.121 20 10 GGCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000119287468 1413399704 /nfs/dbraw/zinc/39/97/04/1413399704.db2.gz NAKOSYVRTKKQIL-JXFKEZNVSA-N 0 3 396.447 3.121 20 10 GGCDHN COc1ccc([C@@H](CCO)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000120397739 1413809293 /nfs/dbraw/zinc/80/92/93/1413809293.db2.gz LMIUUTNIMYVPSZ-IIBYNOLFSA-N 0 3 388.483 3.445 20 10 GGCDHN Fc1cc(CN2CCC[C@H](c3nnc4ccccn43)C2)ccc1N1CCOCC1 ZINC000121776842 1414253747 /nfs/dbraw/zinc/25/37/47/1414253747.db2.gz PYRQRZIUNIKVKX-SFHVURJKSA-N 0 3 395.482 3.085 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)c2)CC1 ZINC000122251617 1414402154 /nfs/dbraw/zinc/40/21/54/1414402154.db2.gz DOBWZVADCAWRKI-UHFFFAOYSA-N 0 3 392.503 3.354 20 10 GGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-n4ccnn4)cc3)c2)CC1 ZINC000122432141 1414458526 /nfs/dbraw/zinc/45/85/26/1414458526.db2.gz WHKVVYGDZFHIQA-UHFFFAOYSA-N 0 3 390.491 3.050 20 10 GGCDHN COc1cc([C@H](C)NCc2ccc3c(c2)CCCN3C)ccc1S(C)(=O)=O ZINC000122932194 1414600269 /nfs/dbraw/zinc/60/02/69/1414600269.db2.gz SRFKGMCOGIAGKM-HNNXBMFYSA-N 0 3 388.533 3.332 20 10 GGCDHN COc1ccc2c(CN[C@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000123317014 1414695284 /nfs/dbraw/zinc/69/52/84/1414695284.db2.gz NHVHYCRLGOPBIF-MRXNPFEDSA-N 0 3 394.471 3.489 20 10 GGCDHN COc1cc(Br)cc(C[NH2+]C[C@H](O)c2c(F)cccc2F)c1[O-] ZINC000123966611 1414858897 /nfs/dbraw/zinc/85/88/97/1414858897.db2.gz RWQSUWRQMLBBAY-ZDUSSCGKSA-N 0 3 388.208 3.265 20 10 GGCDHN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177795995 1428860307 /nfs/dbraw/zinc/86/03/07/1428860307.db2.gz QZWSOXGFKXOTDL-SJLPKXTDSA-N 0 3 383.467 3.118 20 10 GGCDHN C[C@H](NCc1cccnc1-n1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177903773 1428887718 /nfs/dbraw/zinc/88/77/18/1428887718.db2.gz HBNMKKLJXWSTNP-INIZCTEOSA-N 0 3 381.455 3.094 20 10 GGCDHN CC(C)[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000126940049 1415614289 /nfs/dbraw/zinc/61/42/89/1415614289.db2.gz LMELFYIQHGUPTG-UHFFFAOYSA-N 0 3 377.485 3.157 20 10 GGCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000127908016 1415873610 /nfs/dbraw/zinc/87/36/10/1415873610.db2.gz LJZXKFLXXJKDKY-UHFFFAOYSA-N 0 3 390.531 3.480 20 10 GGCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000128421822 1415983405 /nfs/dbraw/zinc/98/34/05/1415983405.db2.gz LNQKDAWBNVWENI-FTRWYGJKSA-N 0 3 383.492 3.282 20 10 GGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000129924749 1416285546 /nfs/dbraw/zinc/28/55/46/1416285546.db2.gz XLKDSRZVRVSCLO-WFASDCNBSA-N 0 3 396.329 3.311 20 10 GGCDHN C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000131031375 1416498531 /nfs/dbraw/zinc/49/85/31/1416498531.db2.gz LTGKFXGNWLPRKH-XXBNENTESA-N 0 3 393.531 3.365 20 10 GGCDHN C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000131030741 1416498587 /nfs/dbraw/zinc/49/85/87/1416498587.db2.gz LTGKFXGNWLPRKH-WMZHIEFXSA-N 0 3 393.531 3.365 20 10 GGCDHN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000131938378 1416655519 /nfs/dbraw/zinc/65/55/19/1416655519.db2.gz QMULIKYJYNUFDR-KRWDZBQOSA-N 0 3 387.549 3.436 20 10 GGCDHN C[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000132852231 1416823374 /nfs/dbraw/zinc/82/33/74/1416823374.db2.gz XSENSINVIIWQEK-CQSZACIVSA-N 0 3 383.920 3.352 20 10 GGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000178666118 1429132552 /nfs/dbraw/zinc/13/25/52/1429132552.db2.gz MIWFYIPMKXRKLL-DLBZAZTESA-N 0 3 388.533 3.339 20 10 GGCDHN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178666106 1429132686 /nfs/dbraw/zinc/13/26/86/1429132686.db2.gz MIWFYIPMKXRKLL-SJORKVTESA-N 0 3 388.533 3.339 20 10 GGCDHN COc1cc(Br)cc(CNC(C)(C)C(=O)NCC2CCCC2)c1O ZINC000136033218 1417286834 /nfs/dbraw/zinc/28/68/34/1417286834.db2.gz GARBPLCBUGTKTF-UHFFFAOYSA-N 0 3 399.329 3.338 20 10 GGCDHN CN(C)c1ccc(CN(C)C(=O)CNC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000178853029 1429196263 /nfs/dbraw/zinc/19/62/63/1429196263.db2.gz ZYBOVULRNRLNGB-UHFFFAOYSA-N 0 3 399.510 3.146 20 10 GGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000151537741 1418017817 /nfs/dbraw/zinc/01/78/17/1418017817.db2.gz MLDXIWFHIGZZCN-KUNJGFBQSA-N 0 3 390.524 3.375 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000151581677 1418031502 /nfs/dbraw/zinc/03/15/02/1418031502.db2.gz RBHMIEXTASDTBH-CRYYWNKWSA-N 0 3 386.561 3.484 20 10 GGCDHN CN(C)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1 ZINC000152933262 1422301167 /nfs/dbraw/zinc/30/11/67/1422301167.db2.gz WSYRXZZZOQJSSF-QFIPXVFZSA-N 0 3 378.520 3.035 20 10 GGCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1ccc3c(c1)CCCC3)cc2=O ZINC000154331114 1422873709 /nfs/dbraw/zinc/87/37/09/1422873709.db2.gz PJTUOFTZNRTXFO-AWEZNQCLSA-N 0 3 394.475 3.341 20 10 GGCDHN CC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1ccccc1[O-] ZINC000155678464 1423482668 /nfs/dbraw/zinc/48/26/68/1423482668.db2.gz ZHMYVFPHAVFEKC-LJQANCHMSA-N 0 3 376.522 3.461 20 10 GGCDHN CN(CCNCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000158339128 1424231104 /nfs/dbraw/zinc/23/11/04/1424231104.db2.gz SEKQDMVQYQJSDK-UHFFFAOYSA-N 0 3 393.578 3.149 20 10 GGCDHN CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2cc(F)ccc2[O-])C(C)C)cc1 ZINC000180089712 1429732537 /nfs/dbraw/zinc/73/25/37/1429732537.db2.gz FRKZCEYXVWINAU-LJQANCHMSA-N 0 3 390.455 3.140 20 10 GGCDHN CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2cc(F)ccc2[O-])C(C)C)cc1 ZINC000180089712 1429732545 /nfs/dbraw/zinc/73/25/45/1429732545.db2.gz FRKZCEYXVWINAU-LJQANCHMSA-N 0 3 390.455 3.140 20 10 GGCDHN COc1cc(O)c(CN2CCC(NC(=O)c3ccc(C)s3)CC2)cc1OC ZINC000160046628 1424566828 /nfs/dbraw/zinc/56/68/28/1424566828.db2.gz YFPAJGJALOMPHH-UHFFFAOYSA-N 0 3 390.505 3.174 20 10 GGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000160183420 1424583635 /nfs/dbraw/zinc/58/36/35/1424583635.db2.gz FPAYRXWOUJWYSI-QFIPXVFZSA-N 0 3 382.504 3.410 20 10 GGCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000160183420 1424583650 /nfs/dbraw/zinc/58/36/50/1424583650.db2.gz FPAYRXWOUJWYSI-QFIPXVFZSA-N 0 3 382.504 3.410 20 10 GGCDHN CN(C)C(=O)COc1ccccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160191202 1424585408 /nfs/dbraw/zinc/58/54/08/1424585408.db2.gz AYYVAKDGUYZUES-HXUWFJFHSA-N 0 3 398.503 3.040 20 10 GGCDHN C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N(C)C)cc1 ZINC000160421795 1424603125 /nfs/dbraw/zinc/60/31/25/1424603125.db2.gz JRALHBGWLXBMGW-QGZVFWFLSA-N 0 3 387.549 3.388 20 10 GGCDHN COc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1OCC(N)=O ZINC000162668293 1424877346 /nfs/dbraw/zinc/87/73/46/1424877346.db2.gz IIVZDVLBKBMHEU-KRWDZBQOSA-N 0 3 397.519 3.400 20 10 GGCDHN COCCOc1ccccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000162959387 1424913259 /nfs/dbraw/zinc/91/32/59/1424913259.db2.gz LJGIVQNFWIOJDF-UHFFFAOYSA-N 0 3 397.519 3.495 20 10 GGCDHN O[C@@](CNCc1ccc(N2CCOCC2)cc1)(c1ccccc1)C(F)(F)F ZINC000170790936 1425343990 /nfs/dbraw/zinc/34/39/90/1425343990.db2.gz WXDYIORBIFAOTI-IBGZPJMESA-N 0 3 380.410 3.063 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000170900602 1425385904 /nfs/dbraw/zinc/38/59/04/1425385904.db2.gz UGNOYUBHINLYIF-QGZVFWFLSA-N 0 3 397.519 3.422 20 10 GGCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000171380427 1425650962 /nfs/dbraw/zinc/65/09/62/1425650962.db2.gz CLSMYTKRJPWWJS-INIZCTEOSA-N 0 3 387.549 3.170 20 10 GGCDHN COc1ccc(N2CCN(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000172730136 1426163892 /nfs/dbraw/zinc/16/38/92/1426163892.db2.gz KTZPNZLSUZWCPG-KRWDZBQOSA-N 0 3 375.513 3.074 20 10 GGCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173365161 1426538432 /nfs/dbraw/zinc/53/84/32/1426538432.db2.gz ZLBMAHQDTZWXMQ-INIZCTEOSA-N 0 3 387.549 3.170 20 10 GGCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000173976145 1426920666 /nfs/dbraw/zinc/92/06/66/1426920666.db2.gz DFTDDRULPSAPOJ-QFIPXVFZSA-N 0 3 395.547 3.250 20 10 GGCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000173976159 1426920811 /nfs/dbraw/zinc/92/08/11/1426920811.db2.gz DFTDDRULPSAPOJ-JOCHJYFZSA-N 0 3 395.547 3.250 20 10 GGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000174373297 1427126388 /nfs/dbraw/zinc/12/63/88/1427126388.db2.gz GMYWFDBTHAAFKM-MRXNPFEDSA-N 0 3 386.492 3.326 20 10 GGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000174373297 1427126396 /nfs/dbraw/zinc/12/63/96/1427126396.db2.gz GMYWFDBTHAAFKM-MRXNPFEDSA-N 0 3 386.492 3.326 20 10 GGCDHN CCOCc1cc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1OC ZINC000180216333 1429804518 /nfs/dbraw/zinc/80/45/18/1429804518.db2.gz DMGVDRHJSXTXMA-MRXNPFEDSA-N 0 3 390.430 3.405 20 10 GGCDHN O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000180556455 1429897079 /nfs/dbraw/zinc/89/70/79/1429897079.db2.gz ZMHRDNZTBYFZPJ-GOSISDBHSA-N 0 3 388.533 3.372 20 10 GGCDHN O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000180556455 1429897081 /nfs/dbraw/zinc/89/70/81/1429897081.db2.gz ZMHRDNZTBYFZPJ-GOSISDBHSA-N 0 3 388.533 3.372 20 10 GGCDHN CC[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000180612137 1429932945 /nfs/dbraw/zinc/93/29/45/1429932945.db2.gz PZARRBLYRWJMFK-HXUWFJFHSA-N 0 3 397.519 3.223 20 10 GGCDHN CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(OC)c1 ZINC000180619732 1429937008 /nfs/dbraw/zinc/93/70/08/1429937008.db2.gz FEAUDCBENHVJJA-RDELFYGPSA-N 0 3 384.476 3.319 20 10 GGCDHN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000180814390 1430055380 /nfs/dbraw/zinc/05/53/80/1430055380.db2.gz JLJCMMIMXQOYNT-SFHVURJKSA-N 0 3 391.519 3.248 20 10 GGCDHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180964221 1430140017 /nfs/dbraw/zinc/14/00/17/1430140017.db2.gz LXBYECHGLDUSMQ-DYESRHJHSA-N 0 3 381.524 3.257 20 10 GGCDHN Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(N4CCCCC4)cc3)C2=O)n(C)n1 ZINC000181188525 1430242258 /nfs/dbraw/zinc/24/22/58/1430242258.db2.gz HRQBGRUUTDNLIN-FXAWDEMLSA-N 0 3 381.524 3.175 20 10 GGCDHN C[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181250622 1430256488 /nfs/dbraw/zinc/25/64/88/1430256488.db2.gz GTYIFOOAWJBNCN-QWXGXRTQSA-N 0 3 376.497 3.251 20 10 GGCDHN C[C@H](NCc1ccc([S@](C)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181250583 1430256560 /nfs/dbraw/zinc/25/65/60/1430256560.db2.gz GTYIFOOAWJBNCN-HAWMADMCSA-N 0 3 376.497 3.251 20 10 GGCDHN C[C@@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 ZINC000182053374 1430402746 /nfs/dbraw/zinc/40/27/46/1430402746.db2.gz PTTPRFDAGWRCQH-KZNAEPCWSA-N 0 3 399.510 3.406 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCOc2ccc(C(C)C)cc2)c1 ZINC000182395158 1430459019 /nfs/dbraw/zinc/45/90/19/1430459019.db2.gz UKMMVVVWBBWFBC-INIZCTEOSA-N 0 3 386.492 3.370 20 10 GGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000182453788 1430470452 /nfs/dbraw/zinc/47/04/52/1430470452.db2.gz FCPVNJJIKCBLIX-GFCCVEGCSA-N 0 3 398.381 3.266 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(Cc2ccco2)CC(F)(F)F)c1 ZINC000182458890 1430471227 /nfs/dbraw/zinc/47/12/27/1430471227.db2.gz NFMMKQGJMGCIKV-LBPRGKRZSA-N 0 3 386.370 3.236 20 10 GGCDHN COc1ccc([C@@H](NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182463016 1430471828 /nfs/dbraw/zinc/47/18/28/1430471828.db2.gz NJPTVFHJDBWCKJ-FPTDNZKUSA-N 0 3 384.476 3.328 20 10 GGCDHN COc1ccc([C@@H](NC(=O)CN[C@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182463037 1430471850 /nfs/dbraw/zinc/47/18/50/1430471850.db2.gz NJPTVFHJDBWCKJ-PEBXRYMYSA-N 0 3 384.476 3.328 20 10 GGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000182471538 1430473549 /nfs/dbraw/zinc/47/35/49/1430473549.db2.gz MKZDPYCNRXQQBL-XOBRGWDASA-N 0 3 397.500 3.414 20 10 GGCDHN Cc1cc(C)cc([C@@H](C)NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000182923262 1430572489 /nfs/dbraw/zinc/57/24/89/1430572489.db2.gz LARIEBUNQKJQQI-GOSISDBHSA-N 0 3 399.510 3.246 20 10 GGCDHN Cn1cnnc1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183001729 1430589547 /nfs/dbraw/zinc/58/95/47/1430589547.db2.gz RJJDPZFCDYHPKC-UHFFFAOYSA-N 0 3 378.476 3.479 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000183011656 1430592236 /nfs/dbraw/zinc/59/22/36/1430592236.db2.gz PGXDXEZTASLVKD-OAQYLSRUSA-N 0 3 382.504 3.268 20 10 GGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000183011656 1430592241 /nfs/dbraw/zinc/59/22/41/1430592241.db2.gz PGXDXEZTASLVKD-OAQYLSRUSA-N 0 3 382.504 3.268 20 10 GGCDHN COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)cc1OC ZINC000183386797 1430697718 /nfs/dbraw/zinc/69/77/18/1430697718.db2.gz KJIKXOSDQYIMNM-QFBILLFUSA-N 0 3 386.492 3.134 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(N4CCCC4=O)cc3)c2)CC1 ZINC000184268813 1430865307 /nfs/dbraw/zinc/86/53/07/1430865307.db2.gz GIOXBVLQHJYPPT-UHFFFAOYSA-N 0 3 392.503 3.208 20 10 GGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1[O-] ZINC000184706266 1430947685 /nfs/dbraw/zinc/94/76/85/1430947685.db2.gz KCQQZENRSRCTIO-GFCCVEGCSA-N 0 3 398.912 3.155 20 10 GGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c([O-])c1 ZINC000185136000 1431069581 /nfs/dbraw/zinc/06/95/81/1431069581.db2.gz FYVZMRWCSBTVML-MRXNPFEDSA-N 0 3 376.522 3.379 20 10 GGCDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c([O-])c1 ZINC000185178485 1431078536 /nfs/dbraw/zinc/07/85/36/1431078536.db2.gz YZZMALRTFKGLPB-QGZVFWFLSA-N 0 3 385.483 3.229 20 10 GGCDHN O=C1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CN1Cc1ccccc1C(F)(F)F ZINC000185655230 1431197223 /nfs/dbraw/zinc/19/72/23/1431197223.db2.gz SSOKZIITAJIKRL-HNNXBMFYSA-N 0 3 382.357 3.441 20 10 GGCDHN CCCOc1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c([O-])c1 ZINC000185857870 1431253390 /nfs/dbraw/zinc/25/33/90/1431253390.db2.gz QZWSANJWJLPTKK-UHFFFAOYSA-N 0 3 390.505 3.011 20 10 GGCDHN Cc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)c([O-])c1 ZINC000185974672 1431302530 /nfs/dbraw/zinc/30/25/30/1431302530.db2.gz DMMSZKQXSIDOFR-KRWDZBQOSA-N 0 3 388.533 3.452 20 10 GGCDHN CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccccc1[O-] ZINC000186704848 1431496580 /nfs/dbraw/zinc/49/65/80/1431496580.db2.gz BRCDMXKIRVKNRB-KRWDZBQOSA-N 0 3 378.469 3.312 20 10 GGCDHN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N(C)C)cc1 ZINC000186715523 1431499668 /nfs/dbraw/zinc/49/96/68/1431499668.db2.gz WXMYYJGDPBCMPM-OAHLLOKOSA-N 0 3 391.512 3.282 20 10 GGCDHN COc1ccc(N2CCCN(CCOCC(F)(F)C(F)(F)F)CC2)cc1 ZINC000188848215 1431996898 /nfs/dbraw/zinc/99/68/98/1431996898.db2.gz HNALDXGFESPLCH-UHFFFAOYSA-N 0 3 382.373 3.422 20 10 GGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(NC(C)=O)ccc3C)c2)CC1 ZINC000189175211 1432057803 /nfs/dbraw/zinc/05/78/03/1432057803.db2.gz MAIOAMNDDSFXAS-UHFFFAOYSA-N 0 3 380.492 3.348 20 10 GGCDHN CN(C)c1ccc(CNC(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000192751282 1432884678 /nfs/dbraw/zinc/88/46/78/1432884678.db2.gz WNWAOLYAIRLRME-SIKLNZKXSA-N 0 3 381.520 3.126 20 10 GGCDHN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000194261052 1433151171 /nfs/dbraw/zinc/15/11/71/1433151171.db2.gz MKKPQAMPFUKHEZ-QZTJIDSGSA-N 0 3 398.389 3.467 20 10 GGCDHN CN(C)c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000237127156 1433390252 /nfs/dbraw/zinc/39/02/52/1433390252.db2.gz RPJCVWXXPZVOST-UHFFFAOYSA-N 0 3 383.427 3.490 20 10 GGCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cnc2ccccn12 ZINC000237829572 1433426921 /nfs/dbraw/zinc/42/69/21/1433426921.db2.gz GZEDYDSFMNZSNY-UHFFFAOYSA-N 0 3 390.409 3.480 20 10 GGCDHN COc1ccc(O)c(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000245835361 1433523395 /nfs/dbraw/zinc/52/33/95/1433523395.db2.gz CKFORHDKUBHARJ-UXHICEINSA-N 0 3 376.884 3.216 20 10 GGCDHN C[C@@H](N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1(C)CC1 ZINC000246177129 1433578198 /nfs/dbraw/zinc/57/81/98/1433578198.db2.gz SRTWMNBJMVJESN-BRWVUGGUSA-N 0 3 391.531 3.176 20 10 GGCDHN O=C1O[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1c1ccccc1 ZINC000246675578 1433648231 /nfs/dbraw/zinc/64/82/31/1433648231.db2.gz JQVPMCWWMZJDPR-UXHICEINSA-N 0 3 382.460 3.399 20 10 GGCDHN O=C1O[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1c1ccccc1 ZINC000246675578 1433648232 /nfs/dbraw/zinc/64/82/32/1433648232.db2.gz JQVPMCWWMZJDPR-UXHICEINSA-N 0 3 382.460 3.399 20 10 GGCDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000248763142 1433820957 /nfs/dbraw/zinc/82/09/57/1433820957.db2.gz GSQYIKPTCIJWAT-AUSIDOKSSA-N 0 3 390.531 3.383 20 10 GGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1c(OC)cccc1OC ZINC000263909024 1434047977 /nfs/dbraw/zinc/04/79/77/1434047977.db2.gz JJXMVWPFNRTTSA-KRWDZBQOSA-N 0 3 375.465 3.061 20 10 GGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1c(OC)cccc1OC ZINC000263909024 1434047980 /nfs/dbraw/zinc/04/79/80/1434047980.db2.gz JJXMVWPFNRTTSA-KRWDZBQOSA-N 0 3 375.465 3.061 20 10 GGCDHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000266751499 1434371161 /nfs/dbraw/zinc/37/11/61/1434371161.db2.gz XZZXWXZGRLYGPY-OCOZRVBESA-N 0 3 397.479 3.125 20 10 GGCDHN CC[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000268796415 1434558198 /nfs/dbraw/zinc/55/81/98/1434558198.db2.gz IKJJTGKPDHJLMG-QFIPXVFZSA-N 0 3 381.520 3.466 20 10 GGCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000268839270 1434563102 /nfs/dbraw/zinc/56/31/02/1434563102.db2.gz ZDHVZDRKCBVNSW-SFHVURJKSA-N 0 3 381.520 3.466 20 10 GGCDHN Cc1cc(CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N(C)C ZINC000271462031 1434826682 /nfs/dbraw/zinc/82/66/82/1434826682.db2.gz HPERNSLCNJSYNG-INIZCTEOSA-N 0 3 375.538 3.162 20 10 GGCDHN Cc1cc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1N(C)C ZINC000271474840 1434827949 /nfs/dbraw/zinc/82/79/49/1434827949.db2.gz JOPREUHENMQBCB-INIZCTEOSA-N 0 3 375.538 3.162 20 10 GGCDHN C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273363293 1434983191 /nfs/dbraw/zinc/98/31/91/1434983191.db2.gz AURXBEOSBOKHSJ-HNNXBMFYSA-N 0 3 385.464 3.108 20 10 GGCDHN C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376492 1434984348 /nfs/dbraw/zinc/98/43/48/1434984348.db2.gz BLFFKZYRTDSPOL-BEFAXECRSA-N 0 3 385.464 3.108 20 10 GGCDHN C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376492 1434984349 /nfs/dbraw/zinc/98/43/49/1434984349.db2.gz BLFFKZYRTDSPOL-BEFAXECRSA-N 0 3 385.464 3.108 20 10 GGCDHN C[C@@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273453305 1434989728 /nfs/dbraw/zinc/98/97/28/1434989728.db2.gz PFLVJXGBRFJIRU-KZULUSFZSA-N 0 3 383.414 3.105 20 10 GGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000273889038 1435025484 /nfs/dbraw/zinc/02/54/84/1435025484.db2.gz SWGZLYOJIBCEBZ-OKZBNKHCSA-N 0 3 376.497 3.286 20 10 GGCDHN CCCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)c([O-])c1 ZINC000276419757 1435210563 /nfs/dbraw/zinc/21/05/63/1435210563.db2.gz CGDVWIBTBIKABR-ZWKOTPCHSA-N 0 3 388.512 3.273 20 10 GGCDHN CCN1CCN(c2cccc(NCc3ccc([N+](=O)[O-])c(OC)c3O)c2)CC1 ZINC000278484486 1435394386 /nfs/dbraw/zinc/39/43/86/1435394386.db2.gz JYQKHDCVSWEOIM-UHFFFAOYSA-N 0 3 386.452 3.063 20 10 GGCDHN CC[NH+]1CCN(c2cccc(NCc3ccc([N+](=O)[O-])c(OC)c3[O-])c2)CC1 ZINC000278484486 1435394389 /nfs/dbraw/zinc/39/43/89/1435394389.db2.gz JYQKHDCVSWEOIM-UHFFFAOYSA-N 0 3 386.452 3.063 20 10 GGCDHN COc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)ccc1OCCO ZINC000279782510 1435542503 /nfs/dbraw/zinc/54/25/03/1435542503.db2.gz CEUYFHGWMLICBS-UHFFFAOYSA-N 0 3 398.425 3.441 20 10 GGCDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000279957280 1435569423 /nfs/dbraw/zinc/56/94/23/1435569423.db2.gz HZHLKXDPSPRCTR-UHFFFAOYSA-N 0 3 398.463 3.388 20 10 GGCDHN