smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000801734433 674146606 /nfs/dbraw/zinc/14/66/06/674146606.db2.gz BLODVYVLWIFRFI-OAHLLOKOSA-N 1 0 360.479 2.468 20 10 FECDRO Cc1nsc(N2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000093716843 542939504 /nfs/dbraw/zinc/93/95/04/542939504.db2.gz XPPBXWIZQXJJNV-UHFFFAOYSA-N 1 0 373.526 2.395 20 10 FECDRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000103513744 543113597 /nfs/dbraw/zinc/11/35/97/543113597.db2.gz AJAYNUUPGSCZGY-UHFFFAOYSA-N 1 0 360.502 2.006 20 10 FECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000104855483 543147604 /nfs/dbraw/zinc/14/76/04/543147604.db2.gz MDCXTDRENOMADX-LJQANCHMSA-N 1 0 363.477 2.277 20 10 FECDRO C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000111235253 543388720 /nfs/dbraw/zinc/38/87/20/543388720.db2.gz PBZQMDZZIPGZFQ-HOCLYGCPSA-N 1 0 356.422 2.169 20 10 FECDRO O=C1COc2cc([N+](=O)[O-])c(N3CCC(C[NH+]4CCCC4)CC3)cc2N1 ZINC000129956578 544133263 /nfs/dbraw/zinc/13/32/63/544133263.db2.gz DQQOAFSZESCHLN-UHFFFAOYSA-N 1 0 360.414 2.238 20 10 FECDRO CCCC(=O)NCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261075 544300499 /nfs/dbraw/zinc/30/04/99/544300499.db2.gz PRWKUOAIGBYVSN-HNNXBMFYSA-N 1 0 367.877 2.043 20 10 FECDRO CCCC(=O)NCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261056 544300768 /nfs/dbraw/zinc/30/07/68/544300768.db2.gz PRWKUOAIGBYVSN-OAHLLOKOSA-N 1 0 367.877 2.043 20 10 FECDRO C[N@@H+]1CCC[C@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000154058250 544858846 /nfs/dbraw/zinc/85/88/46/544858846.db2.gz MFJOLVBXBISXKJ-NFCKIUOLSA-N 1 0 369.509 2.479 20 10 FECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000806169627 674369694 /nfs/dbraw/zinc/36/96/94/674369694.db2.gz IMFQVNGIBOUBCH-DOTOQJQBSA-N 1 0 368.547 2.064 20 10 FECDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000156543235 545634891 /nfs/dbraw/zinc/63/48/91/545634891.db2.gz BBWRLTIYLFTLSH-LPHOPBHVSA-N 1 0 355.486 2.148 20 10 FECDRO CC[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cc(Br)ccc1O ZINC000174422952 546295558 /nfs/dbraw/zinc/29/55/58/546295558.db2.gz UWKJVPUQPXQFGG-AWEZNQCLSA-N 1 0 371.275 2.272 20 10 FECDRO C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178765997 546846972 /nfs/dbraw/zinc/84/69/72/546846972.db2.gz HOQYGARFZUOOAU-INIZCTEOSA-N 1 0 365.493 2.424 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483323178 561274119 /nfs/dbraw/zinc/27/41/19/561274119.db2.gz KEPDOUAYPXSEIT-HZPDHXFCSA-N 1 0 370.497 2.092 20 10 FECDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185589197 548006576 /nfs/dbraw/zinc/00/65/76/548006576.db2.gz SNDYZRYIKSRNTP-SFHVURJKSA-N 1 0 373.545 2.112 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186054657 548078955 /nfs/dbraw/zinc/07/89/55/548078955.db2.gz IRFCWFQVMVEIJK-UGSOOPFHSA-N 1 0 354.454 2.461 20 10 FECDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000245742309 548986296 /nfs/dbraw/zinc/98/62/96/548986296.db2.gz RUJDLOSTWJVUKP-PXFQQHSPSA-N 1 0 360.454 2.211 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000264679142 549999530 /nfs/dbraw/zinc/99/95/30/549999530.db2.gz YZUNWYPIGCOAIW-WOPDUGCTSA-N 1 0 355.482 2.279 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1F ZINC000264933531 550004198 /nfs/dbraw/zinc/00/41/98/550004198.db2.gz BWTBRGDUIOIBFZ-HNNXBMFYSA-N 1 0 360.355 2.165 20 10 FECDRO CC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000266431668 550020515 /nfs/dbraw/zinc/02/05/15/550020515.db2.gz SKGUJCZPZOJELX-MBNRZODZSA-N 1 0 357.498 2.337 20 10 FECDRO CC[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[NH+](C)C ZINC000268865092 550124981 /nfs/dbraw/zinc/12/49/81/550124981.db2.gz ZWPYGKGRVCTTRC-CKEIUWERSA-N 1 0 351.466 2.396 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000270309100 550260684 /nfs/dbraw/zinc/26/06/84/550260684.db2.gz DZYJOKZLFLJSJT-OWCLPIDISA-N 1 0 363.477 2.445 20 10 FECDRO CCCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000271104259 550340993 /nfs/dbraw/zinc/34/09/93/550340993.db2.gz QUCCQXOFQJPDPD-AWEZNQCLSA-N 1 0 357.472 2.199 20 10 FECDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(O)c1 ZINC000271989451 550414582 /nfs/dbraw/zinc/41/45/82/550414582.db2.gz KZCBYROVYQHRAP-CRAIPNDOSA-N 1 0 369.483 2.007 20 10 FECDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)nc2)C1 ZINC000272653907 550463107 /nfs/dbraw/zinc/46/31/07/550463107.db2.gz NKKHPLVAIXHKKH-KZJSRBBCSA-N 1 0 368.437 2.285 20 10 FECDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273585282 550504371 /nfs/dbraw/zinc/50/43/71/550504371.db2.gz NSOZJSHHMIXVSJ-HOTGVXAUSA-N 1 0 363.502 2.103 20 10 FECDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccncc1 ZINC000276472014 550578689 /nfs/dbraw/zinc/57/86/89/550578689.db2.gz MYNIHKVWNBESMO-LJQANCHMSA-N 1 0 360.410 2.373 20 10 FECDRO COc1c(O)c(C[N@@H+]2CCCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000278153892 550755003 /nfs/dbraw/zinc/75/50/03/550755003.db2.gz CRQDHIGWPNBEKI-UHFFFAOYSA-N 1 0 364.427 2.478 20 10 FECDRO CCCOc1ccc(C[N@@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)c(O)c1 ZINC000278748037 550817839 /nfs/dbraw/zinc/81/78/39/550817839.db2.gz RTKHSRJYAMFCKF-YJBOKZPZSA-N 1 0 353.459 2.027 20 10 FECDRO Cc1ccc([C@H]([NH3+])C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000280539720 551005528 /nfs/dbraw/zinc/00/55/28/551005528.db2.gz HWSMHEWTPNIORO-FQEVSTJZSA-N 1 0 353.466 2.490 20 10 FECDRO CCCC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1ccccc1O ZINC000282547454 551245111 /nfs/dbraw/zinc/24/51/11/551245111.db2.gz WSDLUFXHFKSNEH-SFHVURJKSA-N 1 0 361.486 2.121 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000283660775 551405005 /nfs/dbraw/zinc/40/50/05/551405005.db2.gz DGQIDFUMELHJAE-MRXNPFEDSA-N 1 0 361.486 2.121 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000283660772 551405031 /nfs/dbraw/zinc/40/50/31/551405031.db2.gz DGQIDFUMELHJAE-INIZCTEOSA-N 1 0 361.486 2.121 20 10 FECDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000287036417 551954836 /nfs/dbraw/zinc/95/48/36/551954836.db2.gz GAOXPYLCCDICNP-RRFJBIMHSA-N 1 0 366.481 2.189 20 10 FECDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287039365 551955023 /nfs/dbraw/zinc/95/50/23/551955023.db2.gz FLHAJZDANWGTHF-XLIONFOSSA-N 1 0 372.513 2.291 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287170126 551972312 /nfs/dbraw/zinc/97/23/12/551972312.db2.gz MYWPWSZTCPTDPH-MJGOQNOKSA-N 1 0 374.529 2.090 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNCc3cn(C(C)C)nn3)cc2F)CC1 ZINC000289161637 552275479 /nfs/dbraw/zinc/27/54/79/552275479.db2.gz AKQRNMMLYPGQAV-UHFFFAOYSA-N 1 0 360.481 2.430 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000289338499 552303494 /nfs/dbraw/zinc/30/34/94/552303494.db2.gz HNWRSCMBNOMHKR-INIZCTEOSA-N 1 0 356.488 2.037 20 10 FECDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000289926915 552400951 /nfs/dbraw/zinc/40/09/51/552400951.db2.gz KRJQFIGQVIOOTC-PMACEKPBSA-N 1 0 359.514 2.146 20 10 FECDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1F ZINC000295123990 552961217 /nfs/dbraw/zinc/96/12/17/552961217.db2.gz NRUJYRIFSUKXMI-AWEZNQCLSA-N 1 0 355.454 2.209 20 10 FECDRO COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000296604688 553186397 /nfs/dbraw/zinc/18/63/97/553186397.db2.gz RQCGZEJHEVEARB-CQSZACIVSA-N 1 0 352.431 2.126 20 10 FECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000296622586 553188936 /nfs/dbraw/zinc/18/89/36/553188936.db2.gz WZNZSDGIQLUBFZ-GXSJLCMTSA-N 1 0 365.293 2.133 20 10 FECDRO COC(=O)C1CCN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000298737603 553466287 /nfs/dbraw/zinc/46/62/87/553466287.db2.gz VTIZRFOKDGFJED-UHFFFAOYSA-N 1 0 373.497 2.129 20 10 FECDRO O=C(NC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)c1ccc[nH]1 ZINC000362390564 554968946 /nfs/dbraw/zinc/96/89/46/554968946.db2.gz UNTCASWEDJKASS-UHFFFAOYSA-N 1 0 368.481 2.246 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000363099051 555029994 /nfs/dbraw/zinc/02/99/94/555029994.db2.gz KGBBKCUIZGPMJX-SFHVURJKSA-N 1 0 369.513 2.324 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCOCC2)cc1 ZINC000363836981 555196314 /nfs/dbraw/zinc/19/63/14/555196314.db2.gz ZEXUOLHBOQLXTD-UZLBHIALSA-N 1 0 370.497 2.440 20 10 FECDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)CC2 ZINC000364793333 555404656 /nfs/dbraw/zinc/40/46/56/555404656.db2.gz UNYNHQUNZFZDAM-QGZVFWFLSA-N 1 0 369.513 2.440 20 10 FECDRO O=C1NC(=O)[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CC[C@@H]12 ZINC000366481795 555856821 /nfs/dbraw/zinc/85/68/21/555856821.db2.gz LMPZNRNGSPVOHA-MSOLQXFVSA-N 1 0 366.417 2.066 20 10 FECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCN(Cc3noc(C4CC4)n3)C1)OCO2 ZINC000369267049 556555638 /nfs/dbraw/zinc/55/56/38/556555638.db2.gz CGKXZTYGSOWACJ-AWEZNQCLSA-N 1 0 372.425 2.136 20 10 FECDRO CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000369433720 556599495 /nfs/dbraw/zinc/59/94/95/556599495.db2.gz CBFUHENNCKNIPV-RDJZCZTQSA-N 1 0 355.486 2.343 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000369996135 556752248 /nfs/dbraw/zinc/75/22/48/556752248.db2.gz LTKJUUGICKHSDU-UHFFFAOYSA-N 1 0 359.430 2.401 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000371092215 557073097 /nfs/dbraw/zinc/07/30/97/557073097.db2.gz ZPSFWYWJDZGYCD-JXFKEZNVSA-N 1 0 358.486 2.343 20 10 FECDRO CN(C)c1ccc(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cc1F ZINC000372412886 557464593 /nfs/dbraw/zinc/46/45/93/557464593.db2.gz AZZUQOIJFXWWNH-UHFFFAOYSA-N 1 0 363.477 2.353 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)c1 ZINC000374353905 557870281 /nfs/dbraw/zinc/87/02/81/557870281.db2.gz WPHQTIJRIHTBDV-GOSISDBHSA-N 1 0 362.470 2.298 20 10 FECDRO C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000375835208 558087041 /nfs/dbraw/zinc/08/70/41/558087041.db2.gz RYQWUXJWZKEELH-OCCSQVGLSA-N 1 0 353.413 2.229 20 10 FECDRO F[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)N(c2cccnn2)C1 ZINC000376007140 558112842 /nfs/dbraw/zinc/11/28/42/558112842.db2.gz MDYZOXYFSNNASJ-HKUYNNGSSA-N 1 0 371.460 2.020 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)cc1C ZINC000378193508 558499730 /nfs/dbraw/zinc/49/97/30/558499730.db2.gz SRRAUZGJOHXZLK-INIZCTEOSA-N 1 0 366.469 2.453 20 10 FECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c1O ZINC000808694922 674468871 /nfs/dbraw/zinc/46/88/71/674468871.db2.gz CHJNURWWWOANFT-WBVHZDCISA-N 1 0 367.921 2.411 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@@H](CO)COC(C)C)c1O ZINC000809768443 674509088 /nfs/dbraw/zinc/50/90/88/674509088.db2.gz LDBITENTLKKRFG-ZDUSSCGKSA-N 1 0 362.264 2.381 20 10 FECDRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(OC)c1O ZINC000826158978 608567111 /nfs/dbraw/zinc/56/71/11/608567111.db2.gz LBVTYXAFEOXORE-UHFFFAOYSA-N 1 0 369.425 2.230 20 10 FECDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093360566 670752353 /nfs/dbraw/zinc/75/23/53/670752353.db2.gz RQLUWUPARQCEJN-JTQLQIEISA-N 1 0 357.248 2.121 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000134065896 672119079 /nfs/dbraw/zinc/11/90/79/672119079.db2.gz NGHUKCUSPGVLET-DYVFJYSZSA-N 1 0 351.878 2.496 20 10 FECDRO CCc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000138333946 672144017 /nfs/dbraw/zinc/14/40/17/672144017.db2.gz CHUYDYDEVMNFDZ-OAHLLOKOSA-N 1 0 354.516 2.376 20 10 FECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1F ZINC000159401432 672281706 /nfs/dbraw/zinc/28/17/06/672281706.db2.gz OKBFARXHAGNVQC-HNNXBMFYSA-N 1 0 357.495 2.186 20 10 FECDRO COc1cc(CN2CCO[C@H](CNC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000178889991 672396521 /nfs/dbraw/zinc/39/65/21/672396521.db2.gz DYLAIKNXXBNYIT-MRXNPFEDSA-N 1 0 350.459 2.035 20 10 FECDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000733329370 673410042 /nfs/dbraw/zinc/41/00/42/673410042.db2.gz RKNMOSXHYSJXQA-AWEZNQCLSA-N 1 0 369.487 2.498 20 10 FECDRO Cc1cc(Br)c(O)c(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000818431383 675219202 /nfs/dbraw/zinc/21/92/02/675219202.db2.gz KIKMLQXTRZQSHN-DZGCQCFKSA-N 1 0 365.275 2.123 20 10 FECDRO O[C@H](C[NH2+]CCCSc1nccs1)COc1ccc2c(c1)OCO2 ZINC000819063958 675257604 /nfs/dbraw/zinc/25/76/04/675257604.db2.gz QNWYVWAGQRZABC-GFCCVEGCSA-N 1 0 368.480 2.384 20 10 FECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)CC(F)(F)F ZINC000819122652 675262592 /nfs/dbraw/zinc/26/25/92/675262592.db2.gz XZWNGKGULXIGEB-CYBMUJFWSA-N 1 0 350.356 2.190 20 10 FECDRO CCC[C@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000823161573 675533336 /nfs/dbraw/zinc/53/33/36/675533336.db2.gz HFVOLWMBPRHSSY-SFHVURJKSA-N 1 0 351.466 2.399 20 10 FECDRO COCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824548785 675609852 /nfs/dbraw/zinc/60/98/52/675609852.db2.gz QTGOHKOBGSKETR-UHFFFAOYSA-N 1 0 371.275 2.129 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCCN2CCO)c1O ZINC000824583760 675612147 /nfs/dbraw/zinc/61/21/47/675612147.db2.gz QBGHQFFKKSKPEK-OAHLLOKOSA-N 1 0 357.292 2.400 20 10 FECDRO CNC(=O)CCOC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824912871 675628743 /nfs/dbraw/zinc/62/87/43/675628743.db2.gz CAUNVOQKNDWMDV-UHFFFAOYSA-N 1 0 371.275 2.272 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827141604 675733410 /nfs/dbraw/zinc/73/34/10/675733410.db2.gz VCRANLKBZGMELJ-GXFFZTMASA-N 1 0 369.259 2.264 20 10 FECDRO COc1ccc(O)c(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000839683250 680771798 /nfs/dbraw/zinc/77/17/98/680771798.db2.gz DXHJDKQHQDUYKV-OAHLLOKOSA-N 1 0 350.484 2.235 20 10 FECDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)ccc1N1CCCCC1 ZINC000765266297 680837468 /nfs/dbraw/zinc/83/74/68/680837468.db2.gz GDRNBCLSWYOGDG-HNNXBMFYSA-N 1 0 367.471 2.252 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000840945386 680855646 /nfs/dbraw/zinc/85/56/46/680855646.db2.gz MBHGNHQSMYNNGT-MRXNPFEDSA-N 1 0 365.543 2.355 20 10 FECDRO CCN1C[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000834890751 680280377 /nfs/dbraw/zinc/28/03/77/680280377.db2.gz PHLMVHFKIDRJPU-ZIAGYGMSSA-N 1 0 351.878 2.448 20 10 FECDRO CCS(=O)(=O)NC1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835054509 680291360 /nfs/dbraw/zinc/29/13/60/680291360.db2.gz WFCCOILHGKVOSI-WAYWQWQTSA-N 1 0 351.516 2.170 20 10 FECDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000757705073 680533041 /nfs/dbraw/zinc/53/30/41/680533041.db2.gz MCDXUIFMMMKUFY-CYBMUJFWSA-N 1 0 356.488 2.113 20 10 FECDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000837464475 680607207 /nfs/dbraw/zinc/60/72/07/680607207.db2.gz CQYUSTXLHNNJMO-CQSZACIVSA-N 1 0 370.471 2.183 20 10 FECDRO C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841705901 680908122 /nfs/dbraw/zinc/90/81/22/680908122.db2.gz AKSYGADYULZYSU-DOTOQJQBSA-N 1 0 362.543 2.427 20 10 FECDRO C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](C)[NH3+] ZINC000841783111 680912179 /nfs/dbraw/zinc/91/21/79/680912179.db2.gz WGDMYXAZYGCNTP-NWDGAFQWSA-N 1 0 356.417 2.292 20 10 FECDRO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843398 680914357 /nfs/dbraw/zinc/91/43/57/680914357.db2.gz HEGFBLULDJGBJV-RWMBFGLXSA-N 1 0 356.417 2.292 20 10 FECDRO C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843888 680914502 /nfs/dbraw/zinc/91/45/02/680914502.db2.gz ODQQNYJNTVDUKZ-CHWSQXEVSA-N 1 0 356.417 2.245 20 10 FECDRO COc1cc(Br)cc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1O ZINC000841892035 680916707 /nfs/dbraw/zinc/91/67/07/680916707.db2.gz SAFFZOWGEXJDAH-NWDGAFQWSA-N 1 0 373.291 2.050 20 10 FECDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000841954340 680918968 /nfs/dbraw/zinc/91/89/68/680918968.db2.gz WCTOTMMYOCYOEX-ZWNOBZJWSA-N 1 0 356.264 2.471 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000842784457 680966127 /nfs/dbraw/zinc/96/61/27/680966127.db2.gz JXTKFDAGNSVIBG-OAHLLOKOSA-N 1 0 373.400 2.148 20 10 FECDRO CCOc1ccc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)c(O)c1 ZINC000769388459 680980465 /nfs/dbraw/zinc/98/04/65/680980465.db2.gz AFSVAFULQVGNSR-UHFFFAOYSA-N 1 0 356.488 2.037 20 10 FECDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCN1c1nccn2cnnc12 ZINC000770279252 681011555 /nfs/dbraw/zinc/01/15/55/681011555.db2.gz HELKNERRLQLZFM-GFCCVEGCSA-N 1 0 358.833 2.194 20 10 FECDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846213794 681202175 /nfs/dbraw/zinc/20/21/75/681202175.db2.gz KRLOWHUOPDXKRP-BEFAXECRSA-N 1 0 352.450 2.245 20 10 FECDRO C[C@@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccc(N2CCOCC2)cc1 ZINC000775259456 681290821 /nfs/dbraw/zinc/29/08/21/681290821.db2.gz UHHLMRXMMRYXAK-CQSZACIVSA-N 1 0 360.483 2.293 20 10 FECDRO CC[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000775506531 681311913 /nfs/dbraw/zinc/31/19/13/681311913.db2.gz AKIIADXXDPLIIY-SJLPKXTDSA-N 1 0 367.921 2.493 20 10 FECDRO Cc1cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000932947500 681333513 /nfs/dbraw/zinc/33/35/13/681333513.db2.gz NFJLVRKYRZIKFK-KRWDZBQOSA-N 1 0 351.516 2.096 20 10 FECDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000776810555 681438407 /nfs/dbraw/zinc/43/84/07/681438407.db2.gz ZKNANAMKRCOSCA-QWHCGFSZSA-N 1 0 350.415 2.468 20 10 FECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000777219277 681473232 /nfs/dbraw/zinc/47/32/32/681473232.db2.gz IVMXEHMEYXAFEW-LSDHHAIUSA-N 1 0 374.275 2.373 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1OC ZINC000848930919 681644055 /nfs/dbraw/zinc/64/40/55/681644055.db2.gz YTTUMFVKBBZGNK-MRXNPFEDSA-N 1 0 350.459 2.096 20 10 FECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000850346405 681887951 /nfs/dbraw/zinc/88/79/51/681887951.db2.gz UKEZPOAGSDCHJM-MRXNPFEDSA-N 1 0 360.479 2.467 20 10 FECDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000850484864 681906745 /nfs/dbraw/zinc/90/67/45/681906745.db2.gz SIYDKEINYFHQMI-IDHHARJASA-N 1 0 352.450 2.364 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000781906379 681987001 /nfs/dbraw/zinc/98/70/01/681987001.db2.gz BWYZTQWEOZZSBP-JKSUJKDBSA-N 1 0 369.303 2.494 20 10 FECDRO COCCN1CC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000784547115 682236758 /nfs/dbraw/zinc/23/67/58/682236758.db2.gz ZUUDRENVEOEFLU-ROUUACIJSA-N 1 0 367.921 2.320 20 10 FECDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1c(F)ccc(O)c1O ZINC000789957456 682640697 /nfs/dbraw/zinc/64/06/97/682640697.db2.gz OTZQSVHOBWYXFS-UHFFFAOYSA-N 1 0 354.447 2.328 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1O ZINC000858489703 682972463 /nfs/dbraw/zinc/97/24/63/682972463.db2.gz JZLAXAOWCAHWMF-WCQYABFASA-N 1 0 358.833 2.413 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1O ZINC000858489702 682972563 /nfs/dbraw/zinc/97/25/63/682972563.db2.gz JZLAXAOWCAHWMF-DGCLKSJQSA-N 1 0 358.833 2.413 20 10 FECDRO C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000926984786 683193778 /nfs/dbraw/zinc/19/37/78/683193778.db2.gz HXKUBCPAOJOSGE-KBPBESRZSA-N 1 0 351.878 2.353 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000797879144 683285139 /nfs/dbraw/zinc/28/51/39/683285139.db2.gz HVMXPEDRKNRMQI-UHFFFAOYSA-N 1 0 365.474 2.302 20 10 FECDRO COC(=O)[C@]12C[N@H+](Cc3c(O)cccc3Br)C[C@H]1COCC2 ZINC000862352089 683575735 /nfs/dbraw/zinc/57/57/35/683575735.db2.gz YZAUZXIDGXBKPS-MEDUHNTESA-N 1 0 370.243 2.166 20 10 FECDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862552307 683600814 /nfs/dbraw/zinc/60/08/14/683600814.db2.gz VVBALRLWGUWDRP-AATOQMJSSA-N 1 0 351.516 2.027 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@H](O)CCC3(O)CCC3)CC2)cc1F ZINC000929824696 683643740 /nfs/dbraw/zinc/64/37/40/683643740.db2.gz XXOVFRBEYRHPPR-MRXNPFEDSA-N 1 0 352.450 2.012 20 10 FECDRO COc1cccc(C[NH2+]Cc2c(I)cnn2C)c1O ZINC000865867466 684038651 /nfs/dbraw/zinc/03/86/51/684038651.db2.gz CAHJZKUPOPGVEF-UHFFFAOYSA-N 1 0 373.194 2.029 20 10 FECDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000866457021 684106970 /nfs/dbraw/zinc/10/69/70/684106970.db2.gz HOPZYNCEXVFIIG-AWEZNQCLSA-N 1 0 357.495 2.406 20 10 FECDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000873015578 685049970 /nfs/dbraw/zinc/04/99/70/685049970.db2.gz PUFRYZIEEGSEJB-MRXNPFEDSA-N 1 0 354.541 2.297 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876878921 686286083 /nfs/dbraw/zinc/28/60/83/686286083.db2.gz DTVDVDCQAYOREX-VDISTLRHSA-N 1 0 354.834 2.065 20 10 FECDRO Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(O)c1 ZINC000877029302 686313882 /nfs/dbraw/zinc/31/38/82/686313882.db2.gz YVFRQXYMBHMNNU-UHFFFAOYSA-N 1 0 366.405 2.352 20 10 FECDRO CN(C)c1cc(F)c(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1F ZINC000877746674 686448704 /nfs/dbraw/zinc/44/87/04/686448704.db2.gz GCKVPBZQKVTFSL-UHFFFAOYSA-N 1 0 352.473 2.243 20 10 FECDRO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000877799002 686465951 /nfs/dbraw/zinc/46/59/51/686465951.db2.gz HDTBQDHWTUVPAG-XOKHGSTOSA-N 1 0 350.434 2.163 20 10 FECDRO COc1cc(N2CC[NH+](C[C@H]3C[C@@H](OC)C3)CC2)cc(OC)c1OC ZINC000878430562 686583907 /nfs/dbraw/zinc/58/39/07/686583907.db2.gz KNCWYNRDACHGOT-FZNQNYSPSA-N 1 0 350.459 2.259 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(CCF)CC1)cc2=O ZINC000879209039 686769722 /nfs/dbraw/zinc/76/97/22/686769722.db2.gz IMVSHFVQNFIAOM-UHFFFAOYSA-N 1 0 350.394 2.183 20 10 FECDRO COc1cnc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000879488364 686834468 /nfs/dbraw/zinc/83/44/68/686834468.db2.gz NCDUJSFGQXMTPT-UHFFFAOYSA-N 1 0 361.471 2.225 20 10 FECDRO CO[C@@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000881855398 687235356 /nfs/dbraw/zinc/23/53/56/687235356.db2.gz VBEUBDHRHRQNLM-HNNXBMFYSA-N 1 0 359.392 2.022 20 10 FECDRO COC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCOC1 ZINC000883174458 687581149 /nfs/dbraw/zinc/58/11/49/687581149.db2.gz KYRQPQGRTHXFRZ-AEFFLSMTSA-N 1 0 352.450 2.194 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NOCCC(F)(F)F)cc2)CC1 ZINC000883632793 687689773 /nfs/dbraw/zinc/68/97/73/687689773.db2.gz BADYVRRUPXZSHI-UHFFFAOYSA-N 1 0 360.380 2.122 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCc4cccnc43)cc2)CC1 ZINC000886526722 688272345 /nfs/dbraw/zinc/27/23/45/688272345.db2.gz QXNLIDTWPWBNPY-GOSISDBHSA-N 1 0 357.479 2.094 20 10 FECDRO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000886665525 688287688 /nfs/dbraw/zinc/28/76/88/688287688.db2.gz AKKXASPQBSHMLU-XIRDDKMYSA-N 1 0 352.450 2.243 20 10 FECDRO CO[C@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC000891245399 689039581 /nfs/dbraw/zinc/03/95/81/689039581.db2.gz DGSAWONNORTCFK-LSDHHAIUSA-N 1 0 361.408 2.439 20 10 FECDRO C[C@H](O)c1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891248905 689040154 /nfs/dbraw/zinc/04/01/54/689040154.db2.gz OLCZGEMEKOCOJF-SWLSCSKDSA-N 1 0 362.499 2.295 20 10 FECDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2cccc(Cl)c2O)C1 ZINC000891597047 689081635 /nfs/dbraw/zinc/08/16/35/689081635.db2.gz DWFHRYPGNWQJLR-CQSZACIVSA-N 1 0 355.866 2.202 20 10 FECDRO O=C(NCCCSc1nccs1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891674189 689090792 /nfs/dbraw/zinc/09/07/92/689090792.db2.gz INJFDTJYPMNXQN-JTQLQIEISA-N 1 0 350.460 2.169 20 10 FECDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000892030598 689142741 /nfs/dbraw/zinc/14/27/41/689142741.db2.gz BJSVTASTRZKEKY-WMZOPIPTSA-N 1 0 360.527 2.085 20 10 FECDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2O)CC1 ZINC000892438173 689196532 /nfs/dbraw/zinc/19/65/32/689196532.db2.gz WDWYIXSNQZKPCM-UMSPYCQHSA-N 1 0 356.264 2.471 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)NCCc2nccs2)[NH+](C)C)cc1 ZINC000892516500 689207223 /nfs/dbraw/zinc/20/72/23/689207223.db2.gz CATIFYOXQDIGAP-MRXNPFEDSA-N 1 0 361.515 2.354 20 10 FECDRO COc1ccc(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c(O)c1OC ZINC000893328163 689332577 /nfs/dbraw/zinc/33/25/77/689332577.db2.gz JYXBUEGFMQGXMI-UHFFFAOYSA-N 1 0 365.451 2.244 20 10 FECDRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc(N3CCSCC3)cc2)C1(F)F ZINC000894191961 689483626 /nfs/dbraw/zinc/48/36/26/689483626.db2.gz SYKIMPYQHOJNCO-GJZGRUSLSA-N 1 0 356.438 2.384 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000894502871 689543872 /nfs/dbraw/zinc/54/38/72/689543872.db2.gz WRVFNXLPEHNQMD-STQMWFEESA-N 1 0 356.488 2.112 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC4(C[C@H]3F)OCCO4)C2)cc1 ZINC000895308661 689692802 /nfs/dbraw/zinc/69/28/02/689692802.db2.gz APZPDICUOJOLAW-QGTPRVQTSA-N 1 0 350.434 2.497 20 10 FECDRO O=C1NCCN1CC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000897582462 690043870 /nfs/dbraw/zinc/04/38/70/690043870.db2.gz YHBJIGXWUSRQCZ-UHFFFAOYSA-N 1 0 368.275 2.392 20 10 FECDRO COc1cccc(O)c1C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000898398429 690175543 /nfs/dbraw/zinc/17/55/43/690175543.db2.gz FRWFFHUFBLMTOF-XMMPIXPASA-N 1 0 355.504 2.187 20 10 FECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1O ZINC000903225241 690869587 /nfs/dbraw/zinc/86/95/87/690869587.db2.gz GHFYQCSWVDLDQO-JTQLQIEISA-N 1 0 368.908 2.062 20 10 FECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000903235789 690873654 /nfs/dbraw/zinc/87/36/54/690873654.db2.gz VVDOEIPICCDSOL-YDHLFZDLSA-N 1 0 356.488 2.159 20 10 FECDRO [NH3+]Cc1nc2c(s1)CCN(Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000903941271 690987444 /nfs/dbraw/zinc/98/74/44/690987444.db2.gz VJODPYFIDBZWRT-UHFFFAOYSA-N 1 0 362.474 2.136 20 10 FECDRO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000908460443 691683623 /nfs/dbraw/zinc/68/36/23/691683623.db2.gz TTYVBHBQNBKOJU-MRXNPFEDSA-N 1 0 351.472 2.235 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000800308813 674039888 /nfs/dbraw/zinc/03/98/88/674039888.db2.gz AWBBYPPSGRVUTF-FUHWJXTLSA-N 1 0 353.532 2.340 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000800308815 674040046 /nfs/dbraw/zinc/04/00/46/674040046.db2.gz AWBBYPPSGRVUTF-WMZOPIPTSA-N 1 0 353.532 2.340 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3c(C)noc3C)CC2)cc1 ZINC000032764296 539951766 /nfs/dbraw/zinc/95/17/66/539951766.db2.gz IXNADEVEMRXOGQ-UHFFFAOYSA-N 1 0 372.469 2.242 20 10 FECDRO C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)C[NH+]1CCCCC1 ZINC000054785802 540609756 /nfs/dbraw/zinc/60/97/56/540609756.db2.gz WDCDFLABIAXJHN-GOSISDBHSA-N 1 0 374.529 2.444 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000092530692 542868989 /nfs/dbraw/zinc/86/89/89/542868989.db2.gz YWROUMUCNGIXEU-UHFFFAOYSA-N 1 0 353.532 2.389 20 10 FECDRO CN(C)c1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 ZINC000092759221 542884523 /nfs/dbraw/zinc/88/45/23/542884523.db2.gz ZHVCQOXPIJJUMR-UHFFFAOYSA-N 1 0 355.486 2.128 20 10 FECDRO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@@H](O)CN1CCOCC1 ZINC000093583342 542935226 /nfs/dbraw/zinc/93/52/26/542935226.db2.gz PZDOBAUZRJCJOB-HXUWFJFHSA-N 1 0 356.466 2.184 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000118532543 543652836 /nfs/dbraw/zinc/65/28/36/543652836.db2.gz AOEXGVWNXKVUFH-MRXNPFEDSA-N 1 0 371.403 2.118 20 10 FECDRO O=C(C[NH+]1C[C@H]2CCC[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000152974393 544719151 /nfs/dbraw/zinc/71/91/51/544719151.db2.gz ONDXGOKWONEFGI-IAGOWNOFSA-N 1 0 361.461 2.010 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000805183096 674324744 /nfs/dbraw/zinc/32/47/44/674324744.db2.gz CBCGVEIPWGYEIY-LBPRGKRZSA-N 1 0 354.248 2.191 20 10 FECDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000177013605 546524092 /nfs/dbraw/zinc/52/40/92/546524092.db2.gz YENAVZUGRYUNME-ZBWUASRJSA-N 1 0 357.498 2.479 20 10 FECDRO Cc1cccc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)c1O ZINC000182682374 547533575 /nfs/dbraw/zinc/53/35/75/547533575.db2.gz VJYKVKWDVVPMIW-UHFFFAOYSA-N 1 0 350.440 2.241 20 10 FECDRO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183045840 547591409 /nfs/dbraw/zinc/59/14/09/547591409.db2.gz AHBZCQITCYTDRW-OLZOCXBDSA-N 1 0 362.442 2.280 20 10 FECDRO CCOc1cccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1O ZINC000185077655 547928252 /nfs/dbraw/zinc/92/82/52/547928252.db2.gz SLCUSYHDCOEBQO-UHFFFAOYSA-N 1 0 361.417 2.451 20 10 FECDRO C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000187515349 548258848 /nfs/dbraw/zinc/25/88/48/548258848.db2.gz MWQABMPIAFCGLP-KRWDZBQOSA-N 1 0 374.529 2.273 20 10 FECDRO CCOC1CC(C[NH2+][C@H](C)c2cc(OC)ccc2O)(N2CCOCC2)C1 ZINC000193407621 548386303 /nfs/dbraw/zinc/38/63/03/548386303.db2.gz HKIQXPOYCYJFQQ-XRTORIHISA-N 1 0 364.486 2.321 20 10 FECDRO CCCN(Cc1c(C)nn(C)c1N1CCOCC1)c1ccc(C[NH3+])cc1 ZINC000194979334 548558623 /nfs/dbraw/zinc/55/86/23/548558623.db2.gz ZMWZEYVUUKIWQO-UHFFFAOYSA-N 1 0 357.502 2.440 20 10 FECDRO CCOC1CC(C[NH2+]Cc2ccc3c(c2)CCN3C)(N2CCOCC2)C1 ZINC000195460381 548643235 /nfs/dbraw/zinc/64/32/35/548643235.db2.gz ICYGHBQLIAJDKZ-UHFFFAOYSA-N 1 0 359.514 2.038 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000237223131 548810229 /nfs/dbraw/zinc/81/02/29/548810229.db2.gz NCHQVDLVLPCJNR-OAQYLSRUSA-N 1 0 353.466 2.356 20 10 FECDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264639050 549999011 /nfs/dbraw/zinc/99/90/11/549999011.db2.gz VKRCOXFBJQUYDU-IBGZPJMESA-N 1 0 353.466 2.489 20 10 FECDRO Cc1cc(NC(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)n(C)n1 ZINC000265129821 550006841 /nfs/dbraw/zinc/00/68/41/550006841.db2.gz MQKOCRVCRWXKCH-MRXNPFEDSA-N 1 0 358.442 2.054 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000269231873 550169761 /nfs/dbraw/zinc/16/97/61/550169761.db2.gz DJZZLPCVTAYVJK-JQHSSLGASA-N 1 0 361.461 2.199 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3SCCS3)cc2F)CC1 ZINC000270533247 550281356 /nfs/dbraw/zinc/28/13/56/550281356.db2.gz VAQKSRKILQMQOC-UHFFFAOYSA-N 1 0 369.531 2.390 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c(O)c1 ZINC000271181680 550349564 /nfs/dbraw/zinc/34/95/64/550349564.db2.gz HTUUYHCBRUGCDZ-CYBMUJFWSA-N 1 0 358.442 2.383 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1cccc(OC)c1)cc2=O ZINC000271609721 550389613 /nfs/dbraw/zinc/38/96/13/550389613.db2.gz BFHLEHJQJFJYKZ-LBPRGKRZSA-N 1 0 370.409 2.471 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccccc1OC)cc2=O ZINC000271730149 550398361 /nfs/dbraw/zinc/39/83/61/550398361.db2.gz TZOUCTVVZGDXIJ-GFCCVEGCSA-N 1 0 370.409 2.471 20 10 FECDRO O=C1CCN(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000273013536 550480866 /nfs/dbraw/zinc/48/08/66/550480866.db2.gz BJPMMJBWAOGTFH-CQSZACIVSA-N 1 0 353.413 2.469 20 10 FECDRO C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273348299 550495328 /nfs/dbraw/zinc/49/53/28/550495328.db2.gz BHFXHRHONFIFJM-ZDUSSCGKSA-N 1 0 360.414 2.487 20 10 FECDRO CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273409078 550497644 /nfs/dbraw/zinc/49/76/44/550497644.db2.gz PFPLULIJALOLHU-MRXNPFEDSA-N 1 0 363.502 2.247 20 10 FECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000273498353 550500715 /nfs/dbraw/zinc/50/07/15/550500715.db2.gz PNWXKPKDPRZWOP-CQSZACIVSA-N 1 0 373.453 2.365 20 10 FECDRO COCCN(C)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000276972990 550617181 /nfs/dbraw/zinc/61/71/81/550617181.db2.gz QFUKGJKBPABZLX-UHFFFAOYSA-N 1 0 370.497 2.291 20 10 FECDRO C[C@H]1C[N@H+](CCCNC(=O)NCc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000277360564 550660727 /nfs/dbraw/zinc/66/07/27/550660727.db2.gz IICUNUFGAMVETI-HNNXBMFYSA-N 1 0 366.481 2.192 20 10 FECDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278223412 550762434 /nfs/dbraw/zinc/76/24/34/550762434.db2.gz LTHJMPRQDHSXKK-UHFFFAOYSA-N 1 0 359.382 2.301 20 10 FECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1O ZINC000279507597 550897829 /nfs/dbraw/zinc/89/78/29/550897829.db2.gz WXLMZBASLGFHFO-HNNXBMFYSA-N 1 0 358.891 2.354 20 10 FECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1 ZINC000284409348 551542982 /nfs/dbraw/zinc/54/29/82/551542982.db2.gz BUNMZROZELCQMG-OXQOHEQNSA-N 1 0 354.454 2.418 20 10 FECDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285512554 551767854 /nfs/dbraw/zinc/76/78/54/551767854.db2.gz JVBVTPASZKFJEH-FXAWDEMLSA-N 1 0 358.530 2.270 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000285710003 551799228 /nfs/dbraw/zinc/79/92/28/551799228.db2.gz PMALQIPJMRPYPZ-HNSVSWJLSA-N 1 0 361.486 2.135 20 10 FECDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287039361 551954935 /nfs/dbraw/zinc/95/49/35/551954935.db2.gz FLHAJZDANWGTHF-PXNSSMCTSA-N 1 0 372.513 2.291 20 10 FECDRO COc1cc(O)c(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000289186406 552279524 /nfs/dbraw/zinc/27/95/24/552279524.db2.gz APQZOMVLKLMZHT-UHFFFAOYSA-N 1 0 370.405 2.185 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000289338500 552303635 /nfs/dbraw/zinc/30/36/35/552303635.db2.gz HNWRSCMBNOMHKR-MRXNPFEDSA-N 1 0 356.488 2.037 20 10 FECDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000290100371 552427474 /nfs/dbraw/zinc/42/74/74/552427474.db2.gz HPVNKRSGZCHZMH-KBXCAEBGSA-N 1 0 361.463 2.494 20 10 FECDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000290121033 552430303 /nfs/dbraw/zinc/43/03/03/552430303.db2.gz JIYHBPYGOCQHIU-APWZRJJASA-N 1 0 363.477 2.037 20 10 FECDRO C[NH+](C)CCCOc1cnccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292813217 552760905 /nfs/dbraw/zinc/76/09/05/552760905.db2.gz AMIIZRNHVKPYAS-FNORWQNLSA-N 1 0 371.437 2.153 20 10 FECDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000295112500 552959991 /nfs/dbraw/zinc/95/99/91/552959991.db2.gz LVOXWRWFDOGSFW-ZDUSSCGKSA-N 1 0 374.865 2.372 20 10 FECDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H](C)CN3CCOCC3)cc2)CC1 ZINC000296102334 553104883 /nfs/dbraw/zinc/10/48/83/553104883.db2.gz UQDDIWZVYWLNHZ-SFHVURJKSA-N 1 0 361.530 2.454 20 10 FECDRO COc1ccc(N2CC[NH+](CCCN[C@@H]3CCn4ccnc43)CC2)cc1 ZINC000296158394 553114521 /nfs/dbraw/zinc/11/45/21/553114521.db2.gz XCHHPGWOSDIHCQ-LJQANCHMSA-N 1 0 355.486 2.138 20 10 FECDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000296826658 553216911 /nfs/dbraw/zinc/21/69/11/553216911.db2.gz MLADWOGIFSWWFN-CYBMUJFWSA-N 1 0 352.481 2.318 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc2c[nH+]cn2c1 ZINC000296952734 553234332 /nfs/dbraw/zinc/23/43/32/553234332.db2.gz ANVIQSDLNWBWNT-UHFFFAOYSA-N 1 0 365.437 2.170 20 10 FECDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000297267726 553271111 /nfs/dbraw/zinc/27/11/11/553271111.db2.gz WNHDCVBDVTWRDC-UHFFFAOYSA-N 1 0 368.449 2.448 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000297275779 553272086 /nfs/dbraw/zinc/27/20/86/553272086.db2.gz LAWKJJSZOGAWID-FUHWJXTLSA-N 1 0 365.493 2.160 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000298554461 553439725 /nfs/dbraw/zinc/43/97/25/553439725.db2.gz CRNKDNKPOQVVBZ-OAQYLSRUSA-N 1 0 373.497 2.075 20 10 FECDRO COCC[NH+]1CCC(NC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)CC1 ZINC000363891346 555208025 /nfs/dbraw/zinc/20/80/25/555208025.db2.gz UCEVGHRVUPPUIS-UHFFFAOYSA-N 1 0 372.513 2.272 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000363935952 555217359 /nfs/dbraw/zinc/21/73/59/555217359.db2.gz XTMGCPCKSSRCJV-QGZVFWFLSA-N 1 0 357.458 2.358 20 10 FECDRO O=C(C[NH+]1CCC2(CC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000370270582 556826346 /nfs/dbraw/zinc/82/63/46/556826346.db2.gz KPZXBEJGHKQJHC-UHFFFAOYSA-N 1 0 361.461 2.155 20 10 FECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000370613253 556921949 /nfs/dbraw/zinc/92/19/49/556921949.db2.gz YAYLZTSLXNTZFQ-AZUAARDMSA-N 1 0 360.546 2.200 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@H](C)C3(S(C)(=O)=O)CC3)CC2)cc1 ZINC000370738884 556954712 /nfs/dbraw/zinc/95/47/12/556954712.db2.gz IPBYJIZXLBMOCP-CQSZACIVSA-N 1 0 352.500 2.219 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)c3ccoc3)CC2)cc1OC ZINC000371395189 557172354 /nfs/dbraw/zinc/17/23/54/557172354.db2.gz DOSWWHNAGUTOSW-UHFFFAOYSA-N 1 0 360.410 2.397 20 10 FECDRO COc1cccc(N2C[C@@H]([NH2+]Cc3cc(OC)c(OC)cc3O)CC2=O)c1 ZINC000371509757 557204786 /nfs/dbraw/zinc/20/47/86/557204786.db2.gz QQALPGQWONCLGO-AWEZNQCLSA-N 1 0 372.421 2.313 20 10 FECDRO COC(=O)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000372088767 557377133 /nfs/dbraw/zinc/37/71/33/557377133.db2.gz PHLFOULYDQGDMT-CQSZACIVSA-N 1 0 366.845 2.079 20 10 FECDRO C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000374516378 557893653 /nfs/dbraw/zinc/89/36/53/557893653.db2.gz XHGSIMVHARUJAA-BEVDRBHNSA-N 1 0 357.498 2.452 20 10 FECDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1cccc(F)c1O ZINC000375008199 557963210 /nfs/dbraw/zinc/96/32/10/557963210.db2.gz KYVHBYSTTYLWFF-CABCVRRESA-N 1 0 352.406 2.351 20 10 FECDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cc(F)ccc1O)CC2 ZINC000375557514 558048125 /nfs/dbraw/zinc/04/81/25/558048125.db2.gz LVOZWQQZNAZXQX-CYBMUJFWSA-N 1 0 360.433 2.218 20 10 FECDRO O=C(NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)c1ccco1 ZINC000375693029 558068532 /nfs/dbraw/zinc/06/85/32/558068532.db2.gz NVUILEBIOIVLGE-CYBMUJFWSA-N 1 0 358.394 2.356 20 10 FECDRO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2N1 ZINC000377228052 558293398 /nfs/dbraw/zinc/29/33/98/558293398.db2.gz YYVGLCLXIFGVLP-AZUAARDMSA-N 1 0 368.433 2.061 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2ncccn2)c1 ZINC000377714417 558403864 /nfs/dbraw/zinc/40/38/64/558403864.db2.gz AKXHODAYWFAUAZ-KKUMJFAQSA-N 1 0 360.433 2.454 20 10 FECDRO O=C(c1ccoc1)N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378337177 558532606 /nfs/dbraw/zinc/53/26/06/558532606.db2.gz YPKMHFHLEBJFKK-UHFFFAOYSA-N 1 0 369.465 2.464 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)cc1 ZINC000378470268 558565309 /nfs/dbraw/zinc/56/53/09/558565309.db2.gz AAFUWEBFPUNKGQ-AEFFLSMTSA-N 1 0 355.486 2.186 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000471593488 561008080 /nfs/dbraw/zinc/00/80/80/561008080.db2.gz KQLORVAQIFEADE-UHFFFAOYSA-N 1 0 358.486 2.398 20 10 FECDRO CC[C@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC[N@@H+]1C[C@H](C)O ZINC000472219562 561021282 /nfs/dbraw/zinc/02/12/82/561021282.db2.gz GWBPMLUOSREULB-RDJZCZTQSA-N 1 0 372.513 2.473 20 10 FECDRO CC[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810213807 674537335 /nfs/dbraw/zinc/53/73/35/674537335.db2.gz HXFGDNLDQCEYSV-CQSZACIVSA-N 1 0 359.392 2.226 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1O ZINC000092100485 670734438 /nfs/dbraw/zinc/73/44/38/670734438.db2.gz XEUXKRWQPBPFJE-LBPRGKRZSA-N 1 0 371.275 2.464 20 10 FECDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093610628 670753816 /nfs/dbraw/zinc/75/38/16/670753816.db2.gz MNAZAXNJNIRWNF-QGZVFWFLSA-N 1 0 350.484 2.004 20 10 FECDRO C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000817971855 675188470 /nfs/dbraw/zinc/18/84/70/675188470.db2.gz HWUFWONSRBLKAO-ZANVPECISA-N 1 0 353.335 2.157 20 10 FECDRO COc1cccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000119481518 671900583 /nfs/dbraw/zinc/90/05/83/671900583.db2.gz HFIDTGCRNYNGRV-LBPRGKRZSA-N 1 0 350.440 2.241 20 10 FECDRO CCC[C@](C)(O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000125401837 672011040 /nfs/dbraw/zinc/01/10/40/672011040.db2.gz CHFLUAASNIMHKX-IBGZPJMESA-N 1 0 351.466 2.135 20 10 FECDRO CCc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000138333829 672143953 /nfs/dbraw/zinc/14/39/53/672143953.db2.gz CHUYDYDEVMNFDZ-HNNXBMFYSA-N 1 0 354.516 2.376 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](C)CCSC)CC2)cc1 ZINC000172432669 672341856 /nfs/dbraw/zinc/34/18/56/672341856.db2.gz GOQYZGYJCZKKOO-INIZCTEOSA-N 1 0 365.543 2.417 20 10 FECDRO Cc1cc(O)c(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1C ZINC000174385144 672360534 /nfs/dbraw/zinc/36/05/34/672360534.db2.gz RWKVMRDPPMFYBO-UHFFFAOYSA-N 1 0 362.442 2.363 20 10 FECDRO CC[N@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1cc(Br)ccc1O ZINC000174426656 672361072 /nfs/dbraw/zinc/36/10/72/672361072.db2.gz JZFXAHSINDTKPI-LBPRGKRZSA-N 1 0 371.275 2.224 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000186166949 672543030 /nfs/dbraw/zinc/54/30/30/672543030.db2.gz QMPGXSCHBGBWNY-UONOGXRCSA-N 1 0 352.500 2.203 20 10 FECDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc(OCC)c2O)CC1 ZINC000236794558 672803574 /nfs/dbraw/zinc/80/35/74/672803574.db2.gz IBYDXLJHKRQADN-UHFFFAOYSA-N 1 0 356.488 2.085 20 10 FECDRO C[NH+](C)CCOCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708125168 673064246 /nfs/dbraw/zinc/06/42/46/673064246.db2.gz MEKFPBBUDOZRPJ-UHFFFAOYSA-N 1 0 351.672 2.476 20 10 FECDRO COc1ccc(N2CCC(NC(=S)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000726495312 673127374 /nfs/dbraw/zinc/12/73/74/673127374.db2.gz YQQHXLWBEHXYHW-UHFFFAOYSA-N 1 0 362.543 2.222 20 10 FECDRO O=S1(=O)CCC(O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000741263362 673678212 /nfs/dbraw/zinc/67/82/12/673678212.db2.gz YUKQCCWSBMTVJE-UHFFFAOYSA-N 1 0 361.463 2.089 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc2F)C[C@H](C)O1 ZINC000818967642 675247630 /nfs/dbraw/zinc/24/76/30/675247630.db2.gz XPPOXUVPWKPYOU-RWSFTLGLSA-N 1 0 350.356 2.452 20 10 FECDRO O[C@@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000819360068 675285157 /nfs/dbraw/zinc/28/51/57/675285157.db2.gz ZEUURNICTDZXCV-LLVKDONJSA-N 1 0 354.319 2.204 20 10 FECDRO Oc1cc(Br)ccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000824530368 675608778 /nfs/dbraw/zinc/60/87/78/675608778.db2.gz ZCACGTPMICRFRM-UHFFFAOYSA-N 1 0 368.319 2.368 20 10 FECDRO [NH3+]CCCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000827260938 675743870 /nfs/dbraw/zinc/74/38/70/675743870.db2.gz YBOGKLNTMUIQIR-UHFFFAOYSA-N 1 0 359.392 2.287 20 10 FECDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000828358125 675815205 /nfs/dbraw/zinc/81/52/05/675815205.db2.gz HQVKARFKWBESIM-QGZVFWFLSA-N 1 0 357.376 2.075 20 10 FECDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCCSc1nccs1 ZINC000829528640 675881841 /nfs/dbraw/zinc/88/18/41/675881841.db2.gz UXTGMMUJMHZBPN-HWWQOWPSSA-N 1 0 355.529 2.274 20 10 FECDRO Cc1cc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)ccc1N(C)C ZINC000830462290 677041177 /nfs/dbraw/zinc/04/11/77/677041177.db2.gz QBJOIHXROBRESZ-MRXNPFEDSA-N 1 0 351.491 2.378 20 10 FECDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000761206696 680714983 /nfs/dbraw/zinc/71/49/83/680714983.db2.gz NTPJFDKCRKNNJB-HZMBPMFUSA-N 1 0 364.833 2.071 20 10 FECDRO C[C@@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000839563504 680762091 /nfs/dbraw/zinc/76/20/91/680762091.db2.gz LKSXRASWBXAVLN-LLVKDONJSA-N 1 0 360.380 2.181 20 10 FECDRO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000840103154 680798539 /nfs/dbraw/zinc/79/85/39/680798539.db2.gz BKPYAHGMXIMAGT-DEOSSOPVSA-N 1 0 353.484 2.285 20 10 FECDRO COCCNC(=O)C1([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000840822785 680844724 /nfs/dbraw/zinc/84/47/24/680844724.db2.gz QRUXPICCXYWARP-LLVKDONJSA-N 1 0 371.275 2.409 20 10 FECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840976432 680858282 /nfs/dbraw/zinc/85/82/82/680858282.db2.gz FMZNSCDZPAVAID-HNNXBMFYSA-N 1 0 368.474 2.000 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cncs1 ZINC000765978288 680862076 /nfs/dbraw/zinc/86/20/76/680862076.db2.gz NZZGOEGVFBYTQH-ZDUSSCGKSA-N 1 0 351.497 2.229 20 10 FECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000748648057 679984249 /nfs/dbraw/zinc/98/42/49/679984249.db2.gz UWXCAZWZWLUHEF-PXAZEXFGSA-N 1 0 353.488 2.198 20 10 FECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834880831 680279793 /nfs/dbraw/zinc/27/97/93/680279793.db2.gz IGCWKBAYXFVLGJ-URLQWDBASA-N 1 0 352.450 2.364 20 10 FECDRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)C2CCOCC2)c2c1c(F)ccc2O ZINC000834891170 680280828 /nfs/dbraw/zinc/28/08/28/680280828.db2.gz QTTGJNUAJKNSBQ-SMDDNHRTSA-N 1 0 357.447 2.263 20 10 FECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000835025420 680286800 /nfs/dbraw/zinc/28/68/00/680286800.db2.gz UOQUFSVORIPAHE-AATOQMJSSA-N 1 0 351.516 2.027 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](CCO)c2cccs2)cc1 ZINC000754382749 680353238 /nfs/dbraw/zinc/35/32/38/680353238.db2.gz NDXVWPGBSPGUED-KRWDZBQOSA-N 1 0 361.511 2.486 20 10 FECDRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756399404 680476224 /nfs/dbraw/zinc/47/62/24/680476224.db2.gz NZKHXAGUMIACSM-SMDDNHRTSA-N 1 0 356.463 2.483 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NOC3CCC3)cc2F)CC1 ZINC000836569976 680484791 /nfs/dbraw/zinc/48/47/91/680484791.db2.gz PHSGHUBSOZOHQL-UHFFFAOYSA-N 1 0 350.438 2.251 20 10 FECDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000757955965 680545644 /nfs/dbraw/zinc/54/56/44/680545644.db2.gz HLNSWHAQSZZAIZ-UHFFFAOYSA-N 1 0 354.359 2.003 20 10 FECDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1 ZINC000759997823 680674277 /nfs/dbraw/zinc/67/42/77/680674277.db2.gz DABSKACEUDONMN-INIZCTEOSA-N 1 0 366.527 2.359 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000766439968 680876849 /nfs/dbraw/zinc/87/68/49/680876849.db2.gz ZJEXVIXJYHLGFF-CXAGYDPISA-N 1 0 351.878 2.448 20 10 FECDRO CN(CC(C)(C)C[NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707358 680908303 /nfs/dbraw/zinc/90/83/03/680908303.db2.gz RQNHAGCSNKUTSG-UHFFFAOYSA-N 1 0 350.532 2.366 20 10 FECDRO COc1ccc(N2CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC2)cc1F ZINC000841952443 680918762 /nfs/dbraw/zinc/91/87/62/680918762.db2.gz UGQUFRWXJIFIQI-CQSZACIVSA-N 1 0 352.454 2.039 20 10 FECDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C2CC2)cc1 ZINC000842007295 680921509 /nfs/dbraw/zinc/92/15/09/680921509.db2.gz XIDFDWUOGKHIDG-MRXNPFEDSA-N 1 0 352.429 2.424 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000842012744 680922048 /nfs/dbraw/zinc/92/20/48/680922048.db2.gz AVCDQBSLVSRPIS-KGYLQXTDSA-N 1 0 368.275 2.342 20 10 FECDRO CN(CC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)C(=O)OC(C)(C)C ZINC000768459966 680947670 /nfs/dbraw/zinc/94/76/70/680947670.db2.gz IPSINAJCURFOMV-OAHLLOKOSA-N 1 0 352.431 2.117 20 10 FECDRO Cc1cc(F)cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842783830 680966186 /nfs/dbraw/zinc/96/61/86/680966186.db2.gz DFEMBVYVARAQCZ-KRWDZBQOSA-N 1 0 351.447 2.178 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C[C@@H]2CCCC2(F)F)cc1 ZINC000842785018 680966348 /nfs/dbraw/zinc/96/63/48/680966348.db2.gz KKJIFZKUYGTBES-ZFWWWQNUSA-N 1 0 361.458 2.107 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)Cc2cccc(F)c2)cc1 ZINC000842785914 680966461 /nfs/dbraw/zinc/96/64/61/680966461.db2.gz XJNPJFAKTNDFQO-QGZVFWFLSA-N 1 0 351.447 2.011 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000842786477 680966513 /nfs/dbraw/zinc/96/65/13/680966513.db2.gz RQSHRPBFYWJXFK-OAHLLOKOSA-N 1 0 353.875 2.384 20 10 FECDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769007513 680967712 /nfs/dbraw/zinc/96/77/12/680967712.db2.gz UOODLKVOOOFTTQ-HOCLYGCPSA-N 1 0 351.466 2.255 20 10 FECDRO Oc1ccc(Br)cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000769327006 680978469 /nfs/dbraw/zinc/97/84/69/680978469.db2.gz JMXYCFXCKNXKGG-ZBFHGGJFSA-N 1 0 355.276 2.186 20 10 FECDRO COC(=O)CCCN1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000845973287 681167777 /nfs/dbraw/zinc/16/77/77/681167777.db2.gz YJQPTPQTKZOJNG-CQSZACIVSA-N 1 0 350.459 2.469 20 10 FECDRO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000846209906 681201690 /nfs/dbraw/zinc/20/16/90/681201690.db2.gz TZGGRVBQVXVFAR-CQSZACIVSA-N 1 0 351.878 2.450 20 10 FECDRO CC(C)([NH3+])c1nocc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000848410589 681536603 /nfs/dbraw/zinc/53/66/03/681536603.db2.gz HQOBBZUTSLTMBY-UHFFFAOYSA-N 1 0 360.483 2.352 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1O ZINC000934263219 681537758 /nfs/dbraw/zinc/53/77/58/681537758.db2.gz NLPNIFNBJPDYFA-DLBZAZTESA-N 1 0 352.862 2.279 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1O ZINC000848536721 681574234 /nfs/dbraw/zinc/57/42/34/681574234.db2.gz UMDFBHXFKACTCS-TVQRCGJNSA-N 1 0 370.247 2.281 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCn2cncn2)c1O ZINC000848540638 681575107 /nfs/dbraw/zinc/57/51/07/681575107.db2.gz IVJQYIJCNCDASB-JTQLQIEISA-N 1 0 355.236 2.496 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=S)NCC3CC3)cc2F)CC1 ZINC000849258870 681672483 /nfs/dbraw/zinc/67/24/83/681672483.db2.gz VGYNOOROJHQQCS-UHFFFAOYSA-N 1 0 350.507 2.342 20 10 FECDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)ccc1N1CCCCC1 ZINC000913173161 685473608 /nfs/dbraw/zinc/47/36/08/685473608.db2.gz SEMYOXSAJAOVKG-HNNXBMFYSA-N 1 0 367.471 2.109 20 10 FECDRO COc1cc(Br)cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1O ZINC000783721794 682170099 /nfs/dbraw/zinc/17/00/99/682170099.db2.gz OGXWRZQMBWEBDJ-UHFFFAOYSA-N 1 0 371.231 2.238 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852860577 682351381 /nfs/dbraw/zinc/35/13/81/682351381.db2.gz RNZKTGZMOZIKJI-INIZCTEOSA-N 1 0 373.444 2.398 20 10 FECDRO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000786948132 682423425 /nfs/dbraw/zinc/42/34/25/682423425.db2.gz CWVNTQKVPCMZQX-CYBMUJFWSA-N 1 0 372.918 2.262 20 10 FECDRO COc1cc(Br)cc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1O ZINC000793590696 682897392 /nfs/dbraw/zinc/89/73/92/682897392.db2.gz ODFSARBCVRTRMR-NWDGAFQWSA-N 1 0 373.291 2.050 20 10 FECDRO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000858468011 682971093 /nfs/dbraw/zinc/97/10/93/682971093.db2.gz BHUKFMPOLVUTAU-VHSSKADRSA-N 1 0 354.878 2.367 20 10 FECDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000794827649 682997864 /nfs/dbraw/zinc/99/78/64/682997864.db2.gz HKVCEOTWUUTMSS-ZDUSSCGKSA-N 1 0 372.918 2.404 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000798502104 683359074 /nfs/dbraw/zinc/35/90/74/683359074.db2.gz UCTBGVODNIWXKG-JTQLQIEISA-N 1 0 357.248 2.264 20 10 FECDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921526889 683492938 /nfs/dbraw/zinc/49/29/38/683492938.db2.gz HTWSOYLEEKXZCY-UHFFFAOYSA-N 1 0 352.500 2.305 20 10 FECDRO CN(C)c1cc(F)c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000862239333 683556991 /nfs/dbraw/zinc/55/69/91/683556991.db2.gz CACMSNPBDSCYBL-MRXNPFEDSA-N 1 0 352.473 2.243 20 10 FECDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862419651 683588765 /nfs/dbraw/zinc/58/87/65/683588765.db2.gz RHMGPYGNVOBGAP-NSHDSACASA-N 1 0 356.264 2.342 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1Cl ZINC000862481410 683594861 /nfs/dbraw/zinc/59/48/61/683594861.db2.gz GFMVPRRNRIIVGA-CYBMUJFWSA-N 1 0 358.833 2.160 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925167334 684534216 /nfs/dbraw/zinc/53/42/16/684534216.db2.gz PPAWBXOXVATQRR-ZIAGYGMSSA-N 1 0 355.891 2.425 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000873024251 685052779 /nfs/dbraw/zinc/05/27/79/685052779.db2.gz LYVXZWDQZXYLJX-NVXWUHKLSA-N 1 0 352.500 2.141 20 10 FECDRO O=C(NCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000876941950 686298543 /nfs/dbraw/zinc/29/85/43/686298543.db2.gz QYWVWBYXYRDXRU-UHFFFAOYSA-N 1 0 359.495 2.229 20 10 FECDRO OCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCSCC1 ZINC000877572378 686412090 /nfs/dbraw/zinc/41/20/90/686412090.db2.gz DMYOKEUPRHIXIU-UHFFFAOYSA-N 1 0 350.528 2.338 20 10 FECDRO C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])N1CC[NH+](C)CC1 ZINC000882984412 687540635 /nfs/dbraw/zinc/54/06/35/687540635.db2.gz HEXNTRXHECDHRJ-NSHDSACASA-N 1 0 360.271 2.019 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCSC3)cc2)CC1 ZINC000883697858 687703860 /nfs/dbraw/zinc/70/38/60/687703860.db2.gz QTEFSHDHEVAZBV-QGZVFWFLSA-N 1 0 362.543 2.381 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCCC3(F)F)cc2)CC1 ZINC000883697967 687703955 /nfs/dbraw/zinc/70/39/55/687703955.db2.gz TUNDQENUJLWGQB-INIZCTEOSA-N 1 0 352.429 2.425 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3CC(F)(F)C3)cc2)CC1 ZINC000883704282 687706438 /nfs/dbraw/zinc/70/64/38/687706438.db2.gz HCXLHDFMTZPCCR-UHFFFAOYSA-N 1 0 352.429 2.283 20 10 FECDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000885983282 688191916 /nfs/dbraw/zinc/19/19/16/688191916.db2.gz BXWRHOLPNOFLJU-HKUYNNGSSA-N 1 0 366.527 2.359 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CSCCS2)[NH+](C)C)cc1 ZINC000891252663 689040461 /nfs/dbraw/zinc/04/04/61/689040461.db2.gz LXNSQMTYNRNWGX-JKSUJKDBSA-N 1 0 353.557 2.320 20 10 FECDRO COc1ccc(C[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(O)c1OC ZINC000892488551 689202687 /nfs/dbraw/zinc/20/26/87/689202687.db2.gz PNFPHFBKAUXGSE-KBPBESRZSA-N 1 0 352.475 2.387 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892613714 689218680 /nfs/dbraw/zinc/21/86/80/689218680.db2.gz YGAITNGOOOEMQU-HOCLYGCPSA-N 1 0 354.541 2.153 20 10 FECDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893677341 689384797 /nfs/dbraw/zinc/38/47/97/689384797.db2.gz RLMULDAMGPHLOM-OCCSQVGLSA-N 1 0 352.431 2.366 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000894509269 689544795 /nfs/dbraw/zinc/54/47/95/689544795.db2.gz BBFNLYGSLKOIHB-RHSMWYFYSA-N 1 0 350.532 2.408 20 10 FECDRO CC(C)OCCONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895002036 689637892 /nfs/dbraw/zinc/63/78/92/689637892.db2.gz BMGLXLCMPMNKAA-KRWDZBQOSA-N 1 0 352.479 2.011 20 10 FECDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000896980221 689957942 /nfs/dbraw/zinc/95/79/42/689957942.db2.gz VANAJFXBXNEILI-CYBMUJFWSA-N 1 0 362.451 2.296 20 10 FECDRO O=C1N[C@H](C2CC[NH+](Cc3ccc(Br)cc3O)CC2)CO1 ZINC000897019935 689964039 /nfs/dbraw/zinc/96/40/39/689964039.db2.gz RDAOZXZAFVNXHZ-ZDUSSCGKSA-N 1 0 355.232 2.475 20 10 FECDRO CCOc1ccc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(O)c1 ZINC000898364884 690166728 /nfs/dbraw/zinc/16/67/28/690166728.db2.gz RUOLDMQOYVDJHA-LBPRGKRZSA-N 1 0 364.833 2.308 20 10 FECDRO C[C@@H](CCO)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099122 690303840 /nfs/dbraw/zinc/30/38/40/690303840.db2.gz VQQPQFOFUIAPNU-QAPCUYQASA-N 1 0 350.507 2.063 20 10 FECDRO C[C@H](CCO)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099123 690303899 /nfs/dbraw/zinc/30/38/99/690303899.db2.gz VQQPQFOFUIAPNU-YJBOKZPZSA-N 1 0 350.507 2.063 20 10 FECDRO C[C@H](CCO)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099121 690303946 /nfs/dbraw/zinc/30/39/46/690303946.db2.gz VQQPQFOFUIAPNU-MAUKXSAKSA-N 1 0 350.507 2.063 20 10 FECDRO CC(C)[C@@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100993 690304490 /nfs/dbraw/zinc/30/44/90/690304490.db2.gz GBAVLYFBHTUHPP-MJGOQNOKSA-N 1 0 350.507 2.062 20 10 FECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1O ZINC000903435832 690893861 /nfs/dbraw/zinc/89/38/61/690893861.db2.gz SLKZWPTYOFPWOT-WDEREUQCSA-N 1 0 364.833 2.479 20 10 FECDRO O=S(=O)(NCC[NH2+]Cc1ccccc1O)c1ccc(F)cc1Cl ZINC000800895081 674085680 /nfs/dbraw/zinc/08/56/80/674085680.db2.gz BMTIIBCWZKRFSX-UHFFFAOYSA-N 1 0 358.822 2.253 20 10 FECDRO CC1CC[NH+](CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000054787080 540610143 /nfs/dbraw/zinc/61/01/43/540610143.db2.gz CIUQMJWOZVOKEG-UHFFFAOYSA-N 1 0 360.502 2.054 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000077670436 542406155 /nfs/dbraw/zinc/40/61/55/542406155.db2.gz GIBWCPVIXNUTRH-GOSISDBHSA-N 1 0 374.529 2.395 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000085857237 542732995 /nfs/dbraw/zinc/73/29/95/542732995.db2.gz LLOAGWAXABKMCE-IAGOWNOFSA-N 1 0 350.434 2.155 20 10 FECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000089638584 542767144 /nfs/dbraw/zinc/76/71/44/542767144.db2.gz RQOUWSZEGBOGQB-KBPBESRZSA-N 1 0 358.479 2.136 20 10 FECDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090057295 542781349 /nfs/dbraw/zinc/78/13/49/542781349.db2.gz SYQOFZIIVZJYEU-AUUYWEPGSA-N 1 0 352.450 2.100 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091312999 542804410 /nfs/dbraw/zinc/80/44/10/542804410.db2.gz WUYGZWFAGAPJJL-GFCCVEGCSA-N 1 0 351.447 2.390 20 10 FECDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093147325 542913242 /nfs/dbraw/zinc/91/32/42/542913242.db2.gz YSWWXSFIFAVUAH-JOCHJYFZSA-N 1 0 372.557 2.125 20 10 FECDRO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O ZINC000109769697 543338654 /nfs/dbraw/zinc/33/86/54/543338654.db2.gz HYXBNKRTGHHJQO-UHFFFAOYSA-N 1 0 355.438 2.299 20 10 FECDRO Cn1ncc2c1ncnc2N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000124375832 543817116 /nfs/dbraw/zinc/81/71/16/543817116.db2.gz GRCATDUVGBDGIV-UHFFFAOYSA-N 1 0 358.833 2.045 20 10 FECDRO O=C1NCCN1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000127648983 544005688 /nfs/dbraw/zinc/00/56/88/544005688.db2.gz WAFXFQNSCDJVAZ-UHFFFAOYSA-N 1 0 354.248 2.144 20 10 FECDRO Cn1cc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000134269240 544300871 /nfs/dbraw/zinc/30/08/71/544300871.db2.gz SPMVFYOQWFYXRA-MRXNPFEDSA-N 1 0 362.861 2.102 20 10 FECDRO O=C(C[C@H]1COC(=O)C1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269623 544300981 /nfs/dbraw/zinc/30/09/81/544300981.db2.gz AEPZZRWNKALUGG-DOMZBBRYSA-N 1 0 366.845 2.079 20 10 FECDRO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000805187851 674325010 /nfs/dbraw/zinc/32/50/10/674325010.db2.gz YFNVQBWWTVXBHF-MFKMUULPSA-N 1 0 356.264 2.437 20 10 FECDRO COc1ccc(N2CCCN(C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)cc1 ZINC000171695512 546219466 /nfs/dbraw/zinc/21/94/66/546219466.db2.gz YPYVTUPXPVBYEW-INIZCTEOSA-N 1 0 360.502 2.400 20 10 FECDRO COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1OCC(N)=O ZINC000178028218 546725234 /nfs/dbraw/zinc/72/52/34/546725234.db2.gz OPNDDVLVSXXMAD-CQSZACIVSA-N 1 0 357.454 2.476 20 10 FECDRO O=C(C[NH2+]CC1CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834047 546857935 /nfs/dbraw/zinc/85/79/35/546857935.db2.gz RURKVQSMLXUQKO-CQSZACIVSA-N 1 0 353.413 2.373 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180727846 547168117 /nfs/dbraw/zinc/16/81/17/547168117.db2.gz VSFXBVPPKJFIKL-ACJLOTCBSA-N 1 0 361.442 2.089 20 10 FECDRO COc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1O ZINC000182297020 547469144 /nfs/dbraw/zinc/46/91/44/547469144.db2.gz FXDHFDSHWQUJAT-INIZCTEOSA-N 1 0 368.499 2.227 20 10 FECDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000182503770 547504279 /nfs/dbraw/zinc/50/42/79/547504279.db2.gz NRJXUBWXNKUUIT-SJLPKXTDSA-N 1 0 370.490 2.108 20 10 FECDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1[O-] ZINC000182961632 547580022 /nfs/dbraw/zinc/58/00/22/547580022.db2.gz DBDSSSOJEIEWLD-UHFFFAOYSA-N 1 0 353.894 2.318 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000236916776 548788509 /nfs/dbraw/zinc/78/85/09/548788509.db2.gz DLVOWPCSVPYXSR-CQSZACIVSA-N 1 0 371.275 2.272 20 10 FECDRO C[NH2+]CCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237186032 548806788 /nfs/dbraw/zinc/80/67/88/548806788.db2.gz OGBNFECEOWIBHM-UHFFFAOYSA-N 1 0 359.392 2.158 20 10 FECDRO COc1cccc(C[NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)c1O ZINC000263713646 549924720 /nfs/dbraw/zinc/92/47/20/549924720.db2.gz UZZXXYXSXZPGFQ-UHFFFAOYSA-N 1 0 374.437 2.166 20 10 FECDRO Cc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000264443541 549996004 /nfs/dbraw/zinc/99/60/04/549996004.db2.gz OMYZTLACPAEXHM-MRXNPFEDSA-N 1 0 354.498 2.460 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2F)C[C@H](C)O1 ZINC000266115344 550017209 /nfs/dbraw/zinc/01/72/09/550017209.db2.gz GVBXHIWNWBDGTJ-GASCZTMLSA-N 1 0 363.477 2.397 20 10 FECDRO C[C@H]1CN(c2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2F)C[C@H](C)O1 ZINC000266115345 550017313 /nfs/dbraw/zinc/01/73/13/550017313.db2.gz GVBXHIWNWBDGTJ-GJZGRUSLSA-N 1 0 363.477 2.397 20 10 FECDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000266892776 550025315 /nfs/dbraw/zinc/02/53/15/550025315.db2.gz YTXJYOVGCTXQML-IBGZPJMESA-N 1 0 374.529 2.482 20 10 FECDRO CCn1cc([C@@H](C)[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000268801192 550117619 /nfs/dbraw/zinc/11/76/19/550117619.db2.gz GEUCXLFXVIQUEI-QGZVFWFLSA-N 1 0 357.502 2.384 20 10 FECDRO CN(C)c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cc1 ZINC000270554079 550283151 /nfs/dbraw/zinc/28/31/51/550283151.db2.gz HTUYKIIQYLCJPW-UHFFFAOYSA-N 1 0 356.426 2.487 20 10 FECDRO CCCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000271104261 550341109 /nfs/dbraw/zinc/34/11/09/550341109.db2.gz QUCCQXOFQJPDPD-CQSZACIVSA-N 1 0 357.472 2.199 20 10 FECDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1OC ZINC000271891967 550409254 /nfs/dbraw/zinc/40/92/54/550409254.db2.gz XHAOSQPQSQYRHN-SUMWQHHRSA-N 1 0 357.472 2.197 20 10 FECDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272326962 550437654 /nfs/dbraw/zinc/43/76/54/550437654.db2.gz MDPRPWUEQBDAOG-XEZPLFJOSA-N 1 0 369.506 2.136 20 10 FECDRO COCCOCCOCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000274672151 550548436 /nfs/dbraw/zinc/54/84/36/550548436.db2.gz PGXYHOXIVNYVIZ-GOSISDBHSA-N 1 0 366.502 2.244 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000275313855 550571582 /nfs/dbraw/zinc/57/15/82/550571582.db2.gz JSWZOOOMUTYDAW-TZMCWYRMSA-N 1 0 356.308 2.360 20 10 FECDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000275424025 550572328 /nfs/dbraw/zinc/57/23/28/550572328.db2.gz IAQILFACNYXBTL-UHFFFAOYSA-N 1 0 374.529 2.179 20 10 FECDRO CC[N@H+](CCNC(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000277430227 550669628 /nfs/dbraw/zinc/66/96/28/550669628.db2.gz LUMBWGRBGFDGMF-UHFFFAOYSA-N 1 0 356.264 2.438 20 10 FECDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000284546000 551574567 /nfs/dbraw/zinc/57/45/67/551574567.db2.gz XSQIGDRBRZSNFX-GMBSWORKSA-N 1 0 368.493 2.471 20 10 FECDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000284546009 551574690 /nfs/dbraw/zinc/57/46/90/551574690.db2.gz XSQIGDRBRZSNFX-URLQWDBASA-N 1 0 368.493 2.471 20 10 FECDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289383456 552312062 /nfs/dbraw/zinc/31/20/62/552312062.db2.gz MRXHUGQENLPCAU-CYBMUJFWSA-N 1 0 367.402 2.410 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)n1cncn1 ZINC000289540522 552337933 /nfs/dbraw/zinc/33/79/33/552337933.db2.gz BPAKZLIKVFPHQT-INIZCTEOSA-N 1 0 357.502 2.400 20 10 FECDRO COC[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)OCCc2ccccc21 ZINC000289773709 552376476 /nfs/dbraw/zinc/37/64/76/552376476.db2.gz IYVVQWNMPMDIFG-FQEVSTJZSA-N 1 0 357.406 2.325 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290220024 552444266 /nfs/dbraw/zinc/44/42/66/552444266.db2.gz SYQDHTXDHIAZHE-QLPSFHHPSA-N 1 0 369.509 2.385 20 10 FECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c(O)c1 ZINC000294652593 552923914 /nfs/dbraw/zinc/92/39/14/552923914.db2.gz GUPCUVNYBPVWRL-HZPDHXFCSA-N 1 0 370.515 2.148 20 10 FECDRO CCOc1cccc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000295128736 552961889 /nfs/dbraw/zinc/96/18/89/552961889.db2.gz OEWCIZOFNCKVFL-AWEZNQCLSA-N 1 0 354.447 2.108 20 10 FECDRO Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000295920032 553075600 /nfs/dbraw/zinc/07/56/00/553075600.db2.gz BOEQWVHGZPXYEA-IBGZPJMESA-N 1 0 357.429 2.287 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000295963472 553082136 /nfs/dbraw/zinc/08/21/36/553082136.db2.gz JRXAJZRTTIGZMW-SXLOBPIMSA-N 1 0 357.498 2.306 20 10 FECDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000296457445 553162895 /nfs/dbraw/zinc/16/28/95/553162895.db2.gz OOPKLNFWFGNJCL-NSHDSACASA-N 1 0 351.786 2.304 20 10 FECDRO CCOCC[NH+]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000297336459 553279930 /nfs/dbraw/zinc/27/99/30/553279930.db2.gz AQFNDAAVTWPUQB-UHFFFAOYSA-N 1 0 361.530 2.456 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)cc1OC ZINC000362381449 554967870 /nfs/dbraw/zinc/96/78/70/554967870.db2.gz ZLEQHLJEIQCKLX-UHFFFAOYSA-N 1 0 371.437 2.153 20 10 FECDRO COc1ccc(N2CCC(N(C)C(=O)C[C@H]3CSCC[NH2+]3)CC2)cc1 ZINC000366511457 555863717 /nfs/dbraw/zinc/86/37/17/555863717.db2.gz HYPBJQUYLMNLMP-HNNXBMFYSA-N 1 0 363.527 2.218 20 10 FECDRO Nc1nc(-n2cccn2)cc(N2CC=C(c3ccc(Cl)nc3)CC2)[nH+]1 ZINC000367396938 556037808 /nfs/dbraw/zinc/03/78/08/556037808.db2.gz OSRXQYYRMIWZCQ-UHFFFAOYSA-N 1 0 353.817 2.587 20 10 FECDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc1F ZINC000367975518 556186032 /nfs/dbraw/zinc/18/60/32/556186032.db2.gz AUELKOQEXMMODT-DLBZAZTESA-N 1 0 361.461 2.119 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1OC ZINC000368226061 556253117 /nfs/dbraw/zinc/25/31/17/556253117.db2.gz JUBIZRHYLXESJJ-QAPCUYQASA-N 1 0 351.443 2.209 20 10 FECDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000369332791 556574403 /nfs/dbraw/zinc/57/44/03/556574403.db2.gz WBCJBOXFAJOLMG-UHFFFAOYSA-N 1 0 370.453 2.260 20 10 FECDRO CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000369433370 556599385 /nfs/dbraw/zinc/59/93/85/556599385.db2.gz BJXFQAHIHLTNOO-RDJZCZTQSA-N 1 0 369.513 2.467 20 10 FECDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000369639502 556654857 /nfs/dbraw/zinc/65/48/57/556654857.db2.gz OXFKCKODXKKALR-SFHVURJKSA-N 1 0 359.514 2.208 20 10 FECDRO O=C(C[NH2+]CC1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370778491 556965534 /nfs/dbraw/zinc/96/55/34/556965534.db2.gz FNOWTGXWGKXBEM-UHFFFAOYSA-N 1 0 353.413 2.373 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C(=O)N2CCSCC2)c1O ZINC000371886154 557319705 /nfs/dbraw/zinc/31/97/05/557319705.db2.gz PJRSQILLFTWGEH-MRXNPFEDSA-N 1 0 366.458 2.274 20 10 FECDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000373259126 557660567 /nfs/dbraw/zinc/66/05/67/557660567.db2.gz HVPZWUYVSIPWOX-INIZCTEOSA-N 1 0 372.513 2.074 20 10 FECDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000373587389 557724260 /nfs/dbraw/zinc/72/42/60/557724260.db2.gz WUECLYWNKRUJDK-RBUKOAKNSA-N 1 0 362.470 2.066 20 10 FECDRO CCc1nc(CN2CCC[C@H]([N@H+](C)Cc3cc(OC)ccc3O)C2)no1 ZINC000374999755 557961890 /nfs/dbraw/zinc/96/18/90/557961890.db2.gz RWSVJAXMMLWSGJ-HNNXBMFYSA-N 1 0 360.458 2.443 20 10 FECDRO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000377691661 558398799 /nfs/dbraw/zinc/39/87/99/558398799.db2.gz HVHNANUYEMGOCY-JKSUJKDBSA-N 1 0 352.406 2.401 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)C(N)=O)C1 ZINC000444032423 560099482 /nfs/dbraw/zinc/09/94/82/560099482.db2.gz KTEKSPNUZJHELS-UHFFFAOYSA-N 1 0 370.497 2.036 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000809785314 674509870 /nfs/dbraw/zinc/50/98/70/674509870.db2.gz VFQVFNNTJLTRHE-AWEZNQCLSA-N 1 0 368.499 2.085 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000131049937 672083263 /nfs/dbraw/zinc/08/32/63/672083263.db2.gz RJTDKETZMLPVER-AYLIAGHASA-N 1 0 350.278 2.362 20 10 FECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1F ZINC000159401271 672281510 /nfs/dbraw/zinc/28/15/10/672281510.db2.gz OKBFARXHAGNVQC-OAHLLOKOSA-N 1 0 357.495 2.186 20 10 FECDRO COc1cccc(O)c1C[NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1 ZINC000731450424 673330926 /nfs/dbraw/zinc/33/09/26/673330926.db2.gz QMWYOZWSOVWKHH-UHFFFAOYSA-N 1 0 364.467 2.377 20 10 FECDRO C[C@@]1(c2ccc(C[NH2+]Cc3c(O)cccc3Cl)cc2)NC(=O)NC1=O ZINC000733327112 673409975 /nfs/dbraw/zinc/40/99/75/673409975.db2.gz KKKGTEDGXWWOHY-SFHVURJKSA-N 1 0 359.813 2.390 20 10 FECDRO C[NH+](C)Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC000746681938 673889823 /nfs/dbraw/zinc/88/98/23/673889823.db2.gz FKEKBMRRZQOYGN-UHFFFAOYSA-N 1 0 363.439 2.078 20 10 FECDRO COC(=O)CC1CC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000818331923 675214933 /nfs/dbraw/zinc/21/49/33/675214933.db2.gz YNCGWBUGXWQIMW-UHFFFAOYSA-N 1 0 350.434 2.218 20 10 FECDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819039823 675254636 /nfs/dbraw/zinc/25/46/36/675254636.db2.gz ULAQTJLTJHPREZ-YLJYHZDGSA-N 1 0 350.503 2.425 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000819077670 675258554 /nfs/dbraw/zinc/25/85/54/675258554.db2.gz MQUAOXZOIWQERB-QGZVFWFLSA-N 1 0 351.491 2.426 20 10 FECDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824938088 675630059 /nfs/dbraw/zinc/63/00/59/675630059.db2.gz FPHVLOBLEDVXQD-UHFFFAOYSA-N 1 0 368.861 2.245 20 10 FECDRO COC(=O)CC1([NH2+]Cc2ccc(Br)cc2O)CCOCC1 ZINC000825429528 675652715 /nfs/dbraw/zinc/65/27/15/675652715.db2.gz MDRWNKOBTVPLBC-UHFFFAOYSA-N 1 0 358.232 2.357 20 10 FECDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825885457 675672673 /nfs/dbraw/zinc/67/26/73/675672673.db2.gz GRCNAXRJIWDXOR-WFASDCNBSA-N 1 0 355.276 2.450 20 10 FECDRO COc1c(O)c(C[NH2+]Cc2cnc(C(F)(F)F)nc2)ccc1[N+](=O)[O-] ZINC000826840301 675709591 /nfs/dbraw/zinc/70/95/91/675709591.db2.gz WVXYNCKFGNKLHF-UHFFFAOYSA-N 1 0 358.276 2.408 20 10 FECDRO Oc1ccc(Br)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827699587 675773563 /nfs/dbraw/zinc/77/35/63/675773563.db2.gz JIYVMUCXGYKIPN-OAHLLOKOSA-N 1 0 355.276 2.186 20 10 FECDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358648 675815377 /nfs/dbraw/zinc/81/53/77/675815377.db2.gz MZCCSTNHHVPEMQ-WBMJQRKESA-N 1 0 353.413 2.371 20 10 FECDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCCSc1nccs1 ZINC000829528641 675881844 /nfs/dbraw/zinc/88/18/44/675881844.db2.gz UXTGMMUJMHZBPN-OZVIIMIRSA-N 1 0 355.529 2.274 20 10 FECDRO COC(=O)c1cnc(SCC(=O)NC2CC[NH+](C(C)C)CC2)s1 ZINC000829680736 675887229 /nfs/dbraw/zinc/88/72/29/675887229.db2.gz DKVONAXNEIDAEX-UHFFFAOYSA-N 1 0 357.501 2.011 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000761237150 680716350 /nfs/dbraw/zinc/71/63/50/680716350.db2.gz GPRCQVPDWRFOSD-OAHLLOKOSA-N 1 0 363.845 2.294 20 10 FECDRO CC(C)(C)OC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764866299 680823049 /nfs/dbraw/zinc/82/30/49/680823049.db2.gz CRRODCDMXRZFQQ-CQSZACIVSA-N 1 0 368.861 2.468 20 10 FECDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840910474 680852215 /nfs/dbraw/zinc/85/22/15/680852215.db2.gz NJUUMFOYGJJFGE-UHFFFAOYSA-N 1 0 353.532 2.355 20 10 FECDRO Cc1cc(O)c(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(Cl)c1 ZINC000840918949 680853288 /nfs/dbraw/zinc/85/32/88/680853288.db2.gz ONYDCTPDRAWEEZ-MRXNPFEDSA-N 1 0 351.878 2.092 20 10 FECDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(F)(F)F ZINC000765787280 680855181 /nfs/dbraw/zinc/85/51/81/680855181.db2.gz KJLMUVYUWKNXNX-ZFWWWQNUSA-N 1 0 350.356 2.454 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918939 680859372 /nfs/dbraw/zinc/85/93/72/680859372.db2.gz YOZPGLHAQRXTBU-NVXWUHKLSA-N 1 0 366.937 2.073 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(Br)cn2)cc1 ZINC000832278862 680119693 /nfs/dbraw/zinc/11/96/93/680119693.db2.gz FBYRRPXNFIDTGN-AWEZNQCLSA-N 1 0 363.259 2.340 20 10 FECDRO Nc1ccc(Cc2nc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000834800597 680269907 /nfs/dbraw/zinc/26/99/07/680269907.db2.gz DVQRQTUQWVOYQL-GASCZTMLSA-N 1 0 356.495 2.388 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000753732056 680311537 /nfs/dbraw/zinc/31/15/37/680311537.db2.gz OJSVREMFOWJCGZ-GDBMZVCRSA-N 1 0 370.490 2.280 20 10 FECDRO Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000757957649 680545899 /nfs/dbraw/zinc/54/58/99/680545899.db2.gz NZWOMXUNUCOIGJ-UHFFFAOYSA-N 1 0 350.396 2.172 20 10 FECDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000759172831 680632972 /nfs/dbraw/zinc/63/29/72/680632972.db2.gz IYEMJBCPWNYEFM-TZMCWYRMSA-N 1 0 360.248 2.447 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000766439969 680876898 /nfs/dbraw/zinc/87/68/98/680876898.db2.gz ZJEXVIXJYHLGFF-DYVFJYSZSA-N 1 0 351.878 2.448 20 10 FECDRO CC(C)([NH3+])CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841844164 680914482 /nfs/dbraw/zinc/91/44/82/680914482.db2.gz SGOXVZFTGRHAEW-GFCCVEGCSA-N 1 0 356.417 2.293 20 10 FECDRO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784413 680966107 /nfs/dbraw/zinc/96/61/07/680966107.db2.gz JMAGIZPRPISDSQ-MRXNPFEDSA-N 1 0 351.447 2.178 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)sc1C ZINC000842784384 680966158 /nfs/dbraw/zinc/96/61/58/680966158.db2.gz IWFGUZBNNUFKKB-HNNXBMFYSA-N 1 0 353.513 2.409 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000842786007 680966500 /nfs/dbraw/zinc/96/65/00/680966500.db2.gz RWTGJYGEPSYRQM-IPMKNSEASA-N 1 0 359.495 2.228 20 10 FECDRO CCOc1ccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c(O)c1 ZINC000769003816 680967518 /nfs/dbraw/zinc/96/75/18/680967518.db2.gz GKPBBTGNFFREQN-GOEBONIOSA-N 1 0 350.459 2.154 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1O ZINC000846145810 681189187 /nfs/dbraw/zinc/18/91/87/681189187.db2.gz QHZIYDLSKCKRKO-CQSZACIVSA-N 1 0 364.467 2.171 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000846474722 681246282 /nfs/dbraw/zinc/24/62/82/681246282.db2.gz AWXNETJMODJBHF-IBGZPJMESA-N 1 0 360.841 2.299 20 10 FECDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000777219269 681473296 /nfs/dbraw/zinc/47/32/96/681473296.db2.gz IVMXEHMEYXAFEW-GJZGRUSLSA-N 1 0 374.275 2.373 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000848552360 681576263 /nfs/dbraw/zinc/57/62/63/681576263.db2.gz LDJSFVQWVGKXSP-UWVGGRQHSA-N 1 0 357.248 2.340 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(Br)cc1O ZINC000848563991 681579631 /nfs/dbraw/zinc/57/96/31/681579631.db2.gz GJTPIUBOROMIRC-MWLCHTKSSA-N 1 0 351.248 2.491 20 10 FECDRO NC(=O)CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000779812413 681755925 /nfs/dbraw/zinc/75/59/25/681755925.db2.gz LVBFELYTFBNZHY-OAHLLOKOSA-N 1 0 367.877 2.172 20 10 FECDRO COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852895925 682354598 /nfs/dbraw/zinc/35/45/98/682354598.db2.gz NDOJXNUOCONNSQ-MRXNPFEDSA-N 1 0 359.392 2.132 20 10 FECDRO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(=O)OC ZINC000790788477 682701869 /nfs/dbraw/zinc/70/18/69/682701869.db2.gz YUJAZIBLUZOXTB-HUUCEWRRSA-N 1 0 368.861 2.325 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c(Cl)c1 ZINC000858244380 682948591 /nfs/dbraw/zinc/94/85/91/682948591.db2.gz WDZQYRKTGXPTHF-LBPRGKRZSA-N 1 0 358.833 2.160 20 10 FECDRO Oc1cccc(Br)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000862247266 683558647 /nfs/dbraw/zinc/55/86/47/683558647.db2.gz HRKGVTSAUFVQTH-UHFFFAOYSA-N 1 0 355.276 2.451 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)cc1F ZINC000862550968 683600470 /nfs/dbraw/zinc/60/04/70/683600470.db2.gz IGYCRVFCLKTLQR-MRXNPFEDSA-N 1 0 371.522 2.433 20 10 FECDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862552310 683600858 /nfs/dbraw/zinc/60/08/58/683600858.db2.gz VVBALRLWGUWDRP-YXMMZVCTSA-N 1 0 351.516 2.027 20 10 FECDRO C[C@@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)NC(=O)OC(C)(C)C ZINC000863333012 683706823 /nfs/dbraw/zinc/70/68/23/683706823.db2.gz NEUXBPYBGGSOMI-XHDPSFHLSA-N 1 0 352.431 2.163 20 10 FECDRO C[C@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)NC(=O)OC(C)(C)C ZINC000863333010 683707098 /nfs/dbraw/zinc/70/70/98/683707098.db2.gz NEUXBPYBGGSOMI-IAQYHMDHSA-N 1 0 352.431 2.163 20 10 FECDRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1c(O)cccc1Cl ZINC000922497047 683735906 /nfs/dbraw/zinc/73/59/06/683735906.db2.gz SBODTBAHCNJCSU-UHFFFAOYSA-N 1 0 363.723 2.160 20 10 FECDRO C[NH+]1CCN(c2ccc(CNc3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000863984529 683796883 /nfs/dbraw/zinc/79/68/83/683796883.db2.gz HFMCLKWUKQLTBA-UHFFFAOYSA-N 1 0 359.495 2.454 20 10 FECDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000866456943 684106881 /nfs/dbraw/zinc/10/68/81/684106881.db2.gz FUCZLJUEDOPFHV-SNVBAGLBSA-N 1 0 365.293 2.053 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000925082526 684523397 /nfs/dbraw/zinc/52/33/97/684523397.db2.gz XDNORYQUXWYVGP-OAHLLOKOSA-N 1 0 353.532 2.211 20 10 FECDRO CC1(C)CNC(=O)[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160284 684531830 /nfs/dbraw/zinc/53/18/30/684531830.db2.gz KXXIVPCQIXWUGB-IUODEOHRSA-N 1 0 353.413 2.371 20 10 FECDRO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000925797251 684587557 /nfs/dbraw/zinc/58/75/57/684587557.db2.gz MURRHPAETAPDJY-QFBILLFUSA-N 1 0 365.543 2.104 20 10 FECDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(F)(F)F ZINC000873226763 685099783 /nfs/dbraw/zinc/09/97/83/685099783.db2.gz ATBSAJOEXYBTIE-KBPBESRZSA-N 1 0 361.383 2.231 20 10 FECDRO Cc1cn2cc(CC(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)nc2s1 ZINC000876506776 686213425 /nfs/dbraw/zinc/21/34/25/686213425.db2.gz OIYORVWYFZCCSF-INIZCTEOSA-N 1 0 357.483 2.129 20 10 FECDRO COC[C@@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCC[NH2+]1 ZINC000876731389 686256003 /nfs/dbraw/zinc/25/60/03/686256003.db2.gz QDYWFRQLAZWLHZ-LJQANCHMSA-N 1 0 363.527 2.015 20 10 FECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)C(F)(F)F ZINC000883367390 687615549 /nfs/dbraw/zinc/61/55/49/687615549.db2.gz OEGLMVYRCGZWHV-ZDUSSCGKSA-N 1 0 372.309 2.310 20 10 FECDRO COc1cc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)sn1 ZINC000886324792 688232287 /nfs/dbraw/zinc/23/22/87/688232287.db2.gz HFYDMOOPYTYFDL-UHFFFAOYSA-N 1 0 360.483 2.143 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891369179 689055374 /nfs/dbraw/zinc/05/53/74/689055374.db2.gz MMARVMCNKMKNPT-ZWKOTPCHSA-N 1 0 360.527 2.276 20 10 FECDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c(O)c1OC ZINC000891918181 689126338 /nfs/dbraw/zinc/12/63/38/689126338.db2.gz VZMLCNBDVNGYOX-MRXNPFEDSA-N 1 0 350.459 2.096 20 10 FECDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000892433286 689196148 /nfs/dbraw/zinc/19/61/48/689196148.db2.gz HOZVCQRBWZPDEL-MJHDQNEOSA-N 1 0 356.264 2.471 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000892812934 689247113 /nfs/dbraw/zinc/24/71/13/689247113.db2.gz NXGVCTHQAXPUGO-HUUCEWRRSA-N 1 0 352.500 2.077 20 10 FECDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894222055 689489233 /nfs/dbraw/zinc/48/92/33/689489233.db2.gz YFKOQWXTYAPVHR-CYBMUJFWSA-N 1 0 364.467 2.468 20 10 FECDRO COC(=O)c1c(C[NH2+]C[C@]2(O)CCSC2)c2cc(F)ccc2n1C ZINC000894325212 689509701 /nfs/dbraw/zinc/50/97/01/689509701.db2.gz GDMWIOHCKGWQOD-QGZVFWFLSA-N 1 0 352.431 2.062 20 10 FECDRO COC(=O)c1c(C[NH2+]CC[C@@H](C)[S@@](C)=O)c2cc(F)ccc2n1C ZINC000894410608 689526340 /nfs/dbraw/zinc/52/63/40/689526340.db2.gz RRCWWZUACTVHNB-YDGUKXNOSA-N 1 0 354.447 2.351 20 10 FECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1O ZINC000895450161 689718387 /nfs/dbraw/zinc/71/83/87/689718387.db2.gz UOCAILWFSDGTLE-HZPDHXFCSA-N 1 0 368.499 2.192 20 10 FECDRO CN1CC[NH+](CCCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895709655 689758251 /nfs/dbraw/zinc/75/82/51/689758251.db2.gz AECLVSQOPRTVKK-UHFFFAOYSA-N 1 0 363.483 2.070 20 10 FECDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000896980222 689957880 /nfs/dbraw/zinc/95/78/80/689957880.db2.gz VANAJFXBXNEILI-ZDUSSCGKSA-N 1 0 362.451 2.296 20 10 FECDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c(O)c1OC ZINC000897178606 689985017 /nfs/dbraw/zinc/98/50/17/689985017.db2.gz BWNAHRFGVNBELG-HNNXBMFYSA-N 1 0 351.443 2.163 20 10 FECDRO CS[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1[NH+](C)C ZINC000897238004 689992920 /nfs/dbraw/zinc/99/29/20/689992920.db2.gz SZNFMXOUCNJAOX-BMIGLBTASA-N 1 0 352.481 2.430 20 10 FECDRO COc1cccc(O)c1C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000898398428 690175871 /nfs/dbraw/zinc/17/58/71/690175871.db2.gz FRWFFHUFBLMTOF-DEOSSOPVSA-N 1 0 355.504 2.187 20 10 FECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCc3ncc(Br)n3C1)OCO2 ZINC000898724233 690237920 /nfs/dbraw/zinc/23/79/20/690237920.db2.gz MHTRWZUOIGXIAA-JTQLQIEISA-N 1 0 366.215 2.185 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CC(C)(C)CO)[NH+](C)C)cc1 ZINC000899097984 690303199 /nfs/dbraw/zinc/30/31/99/690303199.db2.gz JZCHVJKGCCYRBS-QGZVFWFLSA-N 1 0 350.507 2.015 20 10 FECDRO COCCCCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098615 690303212 /nfs/dbraw/zinc/30/32/12/690303212.db2.gz QBLIFRMLVNYBTR-GOSISDBHSA-N 1 0 350.507 2.423 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CCCc2ccccc2)cc1 ZINC000903517732 690907996 /nfs/dbraw/zinc/90/79/96/690907996.db2.gz JRDMWUFELBIJFK-IBGZPJMESA-N 1 0 361.511 2.305 20 10 FECDRO CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905331083 691102096 /nfs/dbraw/zinc/10/20/96/691102096.db2.gz IWIIBXILMUBARW-UHFFFAOYSA-N 1 0 365.543 2.438 20 10 FECDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000800309884 674040384 /nfs/dbraw/zinc/04/03/84/674040384.db2.gz OUCFEQOWLXQDCN-IEBWSBKVSA-N 1 0 365.543 2.484 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1O ZINC000079434360 542518773 /nfs/dbraw/zinc/51/87/73/542518773.db2.gz CRPXZJXRONWIPP-HNNXBMFYSA-N 1 0 350.434 2.278 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079550751 542526719 /nfs/dbraw/zinc/52/67/19/542526719.db2.gz FISHYYJQBJCORY-WOJBJXKFSA-N 1 0 372.513 2.291 20 10 FECDRO c1cc(N2CCOCC2)ccc1CN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000093513127 542932437 /nfs/dbraw/zinc/93/24/37/542932437.db2.gz CUDOOLLBGPRDMV-UHFFFAOYSA-N 1 0 359.514 2.210 20 10 FECDRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000121146860 543689989 /nfs/dbraw/zinc/68/99/89/543689989.db2.gz NQADFJVZKLYTJH-AWEZNQCLSA-N 1 0 357.495 2.406 20 10 FECDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000127840484 544017125 /nfs/dbraw/zinc/01/71/25/544017125.db2.gz KWZWSWBXNJCHNH-AEFFLSMTSA-N 1 0 372.513 2.290 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000156230871 545610476 /nfs/dbraw/zinc/61/04/76/545610476.db2.gz VJANCBHTYGRPKW-HKUYNNGSSA-N 1 0 361.486 2.302 20 10 FECDRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000178592638 546816813 /nfs/dbraw/zinc/81/68/13/546816813.db2.gz NUQDKMAGQVEOHL-CQSZACIVSA-N 1 0 351.422 2.155 20 10 FECDRO O=C1NC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CCN12 ZINC000183120982 547605135 /nfs/dbraw/zinc/60/51/35/547605135.db2.gz OLIPKARJWQXEAO-QGZVFWFLSA-N 1 0 353.422 2.181 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccon3)CC2)cc1 ZINC000183588971 547685490 /nfs/dbraw/zinc/68/54/90/547685490.db2.gz KOFPMAQMQCRNGR-UHFFFAOYSA-N 1 0 359.430 2.017 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1O ZINC000186996021 548236908 /nfs/dbraw/zinc/23/69/08/548236908.db2.gz KGUJJABNSBCSSR-NSHDSACASA-N 1 0 371.275 2.396 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCOCC(F)F)cc2F)CC1 ZINC000191430442 548344979 /nfs/dbraw/zinc/34/49/79/548344979.db2.gz CRNQAZKQGWKFHA-UHFFFAOYSA-N 1 0 373.419 2.256 20 10 FECDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237217976 548808992 /nfs/dbraw/zinc/80/89/92/548808992.db2.gz GBYANJDVQPLTFO-GFCCVEGCSA-N 1 0 359.392 2.014 20 10 FECDRO C[NH+](C)CCOc1ccc(CCNC(=O)NCc2ccccc2O)cc1 ZINC000264335298 549994254 /nfs/dbraw/zinc/99/42/54/549994254.db2.gz YBVSHCONGAOCFN-UHFFFAOYSA-N 1 0 357.454 2.375 20 10 FECDRO COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000266633316 550022495 /nfs/dbraw/zinc/02/24/95/550022495.db2.gz AGWUWWVDJFFFBF-QGZVFWFLSA-N 1 0 355.438 2.475 20 10 FECDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Cc3ccc(N)cc3)CC2)c1 ZINC000269280854 550175908 /nfs/dbraw/zinc/17/59/08/550175908.db2.gz FHEOVUJJTWUIOW-UHFFFAOYSA-N 1 0 366.509 2.448 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000269365315 550186053 /nfs/dbraw/zinc/18/60/53/550186053.db2.gz VLSOMPGTMNZOPK-MDOVXXIYSA-N 1 0 363.477 2.445 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](CC)CSC)cc2=O ZINC000271609221 550389780 /nfs/dbraw/zinc/38/97/80/550389780.db2.gz VCHVGPBCFXWESB-LBPRGKRZSA-N 1 0 352.460 2.185 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1cccc(O)c1)cc2=O ZINC000271757865 550400137 /nfs/dbraw/zinc/40/01/37/550400137.db2.gz CAYOLXSSAFZCGX-NSHDSACASA-N 1 0 356.382 2.168 20 10 FECDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000273799074 550511502 /nfs/dbraw/zinc/51/15/02/550511502.db2.gz WUSVKSRQEGMIEQ-QWHCGFSZSA-N 1 0 370.877 2.417 20 10 FECDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)C[C@@H](C)O1 ZINC000276575004 550579041 /nfs/dbraw/zinc/57/90/41/550579041.db2.gz KXRUDTXMSYRIKT-CHWSQXEVSA-N 1 0 366.433 2.198 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC(C)(C)OC)cc2F)CC1 ZINC000278802712 550823773 /nfs/dbraw/zinc/82/37/73/550823773.db2.gz XWKSCYCQWPRLCI-UHFFFAOYSA-N 1 0 351.466 2.399 20 10 FECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1 ZINC000280923773 551046018 /nfs/dbraw/zinc/04/60/18/551046018.db2.gz HOKZFEJVAVXWOZ-HUUCEWRRSA-N 1 0 355.486 2.351 20 10 FECDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000282573353 551247950 /nfs/dbraw/zinc/24/79/50/551247950.db2.gz ZWBZMWUMOPERJZ-OAHLLOKOSA-N 1 0 361.486 2.120 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000283452075 551368317 /nfs/dbraw/zinc/36/83/17/551368317.db2.gz CYZHNCNMEKTDAR-UHFFFAOYSA-N 1 0 374.529 2.136 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(CNC(C)(C)c1c(C)noc1C)cc2=O ZINC000285463224 551760258 /nfs/dbraw/zinc/76/02/58/551760258.db2.gz AJGWTTWFOHWTRA-UHFFFAOYSA-N 1 0 373.413 2.241 20 10 FECDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000286042057 551842030 /nfs/dbraw/zinc/84/20/30/551842030.db2.gz QNYREARWAWUVIX-UHFFFAOYSA-N 1 0 355.438 2.337 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 ZINC000289262662 552291046 /nfs/dbraw/zinc/29/10/46/552291046.db2.gz FUPORVHAPVNIQN-YLJYHZDGSA-N 1 0 358.486 2.485 20 10 FECDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000290121036 552430324 /nfs/dbraw/zinc/43/03/24/552430324.db2.gz JIYHBPYGOCQHIU-LPHOPBHVSA-N 1 0 363.477 2.037 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](CSC)C1)cc2=O ZINC000292513022 552733783 /nfs/dbraw/zinc/73/37/83/552733783.db2.gz VRWBLBULKMTZGL-LBPRGKRZSA-N 1 0 364.471 2.187 20 10 FECDRO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000294662519 552924848 /nfs/dbraw/zinc/92/48/48/552924848.db2.gz AHFHRXLDLBUNBL-XMMPIXPASA-N 1 0 353.484 2.285 20 10 FECDRO CN(C)C(=O)C1([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000295187613 552967776 /nfs/dbraw/zinc/96/77/76/552967776.db2.gz SQWHEFFAGWLHJQ-UHFFFAOYSA-N 1 0 374.529 2.092 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1C[C@H](OCC)C13CCC3)cc2=O ZINC000295846804 553067301 /nfs/dbraw/zinc/06/73/01/553067301.db2.gz DFWZOCNVLSEVLJ-GJZGRUSLSA-N 1 0 374.441 2.049 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000296286052 553135114 /nfs/dbraw/zinc/13/51/14/553135114.db2.gz OXVBJDVNJFKHKP-MISYRCLQSA-N 1 0 357.498 2.258 20 10 FECDRO CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000297334069 553279519 /nfs/dbraw/zinc/27/95/19/553279519.db2.gz JQFZVCDLGVJUNS-KRWDZBQOSA-N 1 0 360.502 2.149 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000298448470 553426306 /nfs/dbraw/zinc/42/63/06/553426306.db2.gz NWXPIASBHHJZEC-UHFFFAOYSA-N 1 0 372.557 2.424 20 10 FECDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000298639697 553453034 /nfs/dbraw/zinc/45/30/34/553453034.db2.gz VMCJQAISVQXBIX-UHFFFAOYSA-N 1 0 374.529 2.044 20 10 FECDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2=O)n1 ZINC000360091170 554862733 /nfs/dbraw/zinc/86/27/33/554862733.db2.gz ARHJWTDNNRUMOE-SFHVURJKSA-N 1 0 353.470 2.306 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890335 554893839 /nfs/dbraw/zinc/89/38/39/554893839.db2.gz XXOKMCOSGLIHBW-CGTJXYLNSA-N 1 0 363.477 2.176 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O ZINC000361392589 554920959 /nfs/dbraw/zinc/92/09/59/554920959.db2.gz WWSRHSDOVGAFCZ-BIMULSAOSA-N 1 0 369.259 2.262 20 10 FECDRO COc1ccc(N2CCC([NH2+]CCS(=O)(=O)C(C)(C)C)CC2)cc1 ZINC000362293836 554961352 /nfs/dbraw/zinc/96/13/52/554961352.db2.gz PQAYDHYILGPMKL-UHFFFAOYSA-N 1 0 354.516 2.467 20 10 FECDRO OC1CCN(c2ccc(CNc3cccc(-n4ccnc4)n3)cc2F)CC1 ZINC000363834557 555195561 /nfs/dbraw/zinc/19/55/61/555195561.db2.gz WHNRFFZSSDWJDH-UHFFFAOYSA-N 1 0 367.428 2.980 20 10 FECDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c1O ZINC000364900804 555431626 /nfs/dbraw/zinc/43/16/26/555431626.db2.gz LBVUGTKOTHCMPR-CYBMUJFWSA-N 1 0 358.442 2.205 20 10 FECDRO C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366323463 555812428 /nfs/dbraw/zinc/81/24/28/555812428.db2.gz MBEDUMQPTYOUSQ-CHWSQXEVSA-N 1 0 359.392 2.383 20 10 FECDRO CN(C)c1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000367086250 556001121 /nfs/dbraw/zinc/00/11/21/556001121.db2.gz KGZVEPUQYKKUDB-UHFFFAOYSA-N 1 0 351.516 2.143 20 10 FECDRO COc1ccc(N2CCC([NH2+]CC3(S(C)(=O)=O)CCC3)CC2)cc1 ZINC000368440359 556310118 /nfs/dbraw/zinc/31/01/18/556310118.db2.gz CDAJQBCTKSWQET-UHFFFAOYSA-N 1 0 352.500 2.221 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000371092217 557073016 /nfs/dbraw/zinc/07/30/16/557073016.db2.gz ZPSFWYWJDZGYCD-OXQOHEQNSA-N 1 0 358.486 2.343 20 10 FECDRO COc1cccc(C[N@@H+]2CCCN(Cc3ncc(Cl)n3C)CC2)c1O ZINC000371414402 557178730 /nfs/dbraw/zinc/17/87/30/557178730.db2.gz HKYUROXRVOOGEL-UHFFFAOYSA-N 1 0 364.877 2.496 20 10 FECDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372081582 557375615 /nfs/dbraw/zinc/37/56/15/557375615.db2.gz OHZOURMOFSYEAE-RTWAWAEBSA-N 1 0 357.498 2.499 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1OC ZINC000372392863 557459105 /nfs/dbraw/zinc/45/91/05/557459105.db2.gz ZAMCSOLBSGQGBE-UHFFFAOYSA-N 1 0 358.442 2.327 20 10 FECDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000372778075 557560809 /nfs/dbraw/zinc/56/08/09/557560809.db2.gz ZLIFVUGMFKJKHB-PAFQEJSVSA-N 1 0 355.482 2.266 20 10 FECDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cc(F)ccc1O)CC2 ZINC000375557515 558047970 /nfs/dbraw/zinc/04/79/70/558047970.db2.gz LVOZWQQZNAZXQX-ZDUSSCGKSA-N 1 0 360.433 2.218 20 10 FECDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1O ZINC000377701572 558400860 /nfs/dbraw/zinc/40/08/60/558400860.db2.gz UBUSTSPCLCYTAJ-JKSUJKDBSA-N 1 0 364.442 2.270 20 10 FECDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000378357792 558537792 /nfs/dbraw/zinc/53/77/92/558537792.db2.gz XGTMUGRAENQRCS-OAHLLOKOSA-N 1 0 368.865 2.166 20 10 FECDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378406290 558549476 /nfs/dbraw/zinc/54/94/76/558549476.db2.gz UTPSJWRAWRZQON-QHHYFVSCSA-N 1 0 361.461 2.322 20 10 FECDRO CN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736769922 598727811 /nfs/dbraw/zinc/72/78/11/598727811.db2.gz XFRXJTRDLNTWQO-UHFFFAOYSA-N 1 0 352.442 2.444 20 10 FECDRO CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810263733 674538590 /nfs/dbraw/zinc/53/85/90/674538590.db2.gz RUANWHNSBCRWND-LBPRGKRZSA-N 1 0 354.394 2.343 20 10 FECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826291516 608854675 /nfs/dbraw/zinc/85/46/75/608854675.db2.gz JQXRMYCAELYTDS-SFHVURJKSA-N 1 0 351.410 2.454 20 10 FECDRO COc1c([O-])c(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000811513973 674610214 /nfs/dbraw/zinc/61/02/14/674610214.db2.gz YDNHIVURZQYZBP-UHFFFAOYSA-N 1 0 355.460 2.226 20 10 FECDRO CC[C@H](C)CS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000113290869 670883647 /nfs/dbraw/zinc/88/36/47/670883647.db2.gz ZOYFPMCZJWDEHK-HNNXBMFYSA-N 1 0 371.522 2.433 20 10 FECDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185195417 672522568 /nfs/dbraw/zinc/52/25/68/672522568.db2.gz VQFJPYVLLCJUIS-CYBMUJFWSA-N 1 0 352.431 2.469 20 10 FECDRO O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000249540992 672872200 /nfs/dbraw/zinc/87/22/00/672872200.db2.gz DXJVRTUHAKNUEH-KGLIPLIRSA-N 1 0 353.413 2.373 20 10 FECDRO COc1cccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000733330544 673410094 /nfs/dbraw/zinc/41/00/94/673410094.db2.gz AHKRUKVOCAEMSS-UHFFFAOYSA-N 1 0 360.479 2.220 20 10 FECDRO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818965477 675247297 /nfs/dbraw/zinc/24/72/97/675247297.db2.gz ASXKTVUXDGXBGZ-UXLLHSPISA-N 1 0 354.466 2.315 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000818967640 675247608 /nfs/dbraw/zinc/24/76/08/675247608.db2.gz XPPOXUVPWKPYOU-HFAKWTLXSA-N 1 0 350.356 2.452 20 10 FECDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000819824451 675316404 /nfs/dbraw/zinc/31/64/04/675316404.db2.gz KSYJYXXHPLTZCG-CVEARBPZSA-N 1 0 359.495 2.437 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 ZINC000822818086 675509047 /nfs/dbraw/zinc/50/90/47/675509047.db2.gz JOKWQXPHKOHXIK-CHWSQXEVSA-N 1 0 354.447 2.279 20 10 FECDRO COc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000824832333 675624538 /nfs/dbraw/zinc/62/45/38/675624538.db2.gz XTQWDZMLISSEME-DGCLKSJQSA-N 1 0 358.360 2.243 20 10 FECDRO COc1cc(Br)cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1O ZINC000825130486 675638233 /nfs/dbraw/zinc/63/82/33/675638233.db2.gz YWBYGDXRJCEXIK-GXFFZTMASA-N 1 0 360.248 2.135 20 10 FECDRO Cc1cc(Cl)cc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1O ZINC000825147639 675638964 /nfs/dbraw/zinc/63/89/64/675638964.db2.gz JOFCGYMBDKXUMS-INIZCTEOSA-N 1 0 351.878 2.140 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1O ZINC000826845339 675709840 /nfs/dbraw/zinc/70/98/40/675709840.db2.gz JARVFBCKJURKKE-NSHDSACASA-N 1 0 367.247 2.277 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@](CO)(OC)C2)c1O ZINC000826952057 675718104 /nfs/dbraw/zinc/71/81/04/675718104.db2.gz FRFTYQPQLXKMKR-OAHLLOKOSA-N 1 0 360.248 2.137 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cnsn3)cc2F)CC1 ZINC000839113364 680739121 /nfs/dbraw/zinc/73/91/21/680739121.db2.gz KOYZPYVYCAABIJ-UHFFFAOYSA-N 1 0 364.450 2.141 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2sccc2C(N)=O)c1 ZINC000839540939 680760341 /nfs/dbraw/zinc/76/03/41/680760341.db2.gz YBCOKQYILQPOOL-JTQLQIEISA-N 1 0 363.439 2.241 20 10 FECDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000765754077 680854199 /nfs/dbraw/zinc/85/41/99/680854199.db2.gz MBNGIMMYWSLPPL-ZDUSSCGKSA-N 1 0 360.907 2.262 20 10 FECDRO CN(C)c1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000874047050 685279110 /nfs/dbraw/zinc/27/91/10/685279110.db2.gz JJCVCLYEYHOSSZ-UHFFFAOYSA-N 1 0 359.392 2.410 20 10 FECDRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)C2CCOCC2)c2c1c(F)ccc2O ZINC000834891166 680280804 /nfs/dbraw/zinc/28/08/04/680280804.db2.gz QTTGJNUAJKNSBQ-FZMZJTMJSA-N 1 0 357.447 2.263 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(F)F)cc2F)CC1 ZINC000836481685 680475188 /nfs/dbraw/zinc/47/51/88/680475188.db2.gz OMGXYYGVXJTVAR-UHFFFAOYSA-N 1 0 358.408 2.422 20 10 FECDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000757705595 680532982 /nfs/dbraw/zinc/53/29/82/680532982.db2.gz QUMIRUVBIIYBIU-OAHLLOKOSA-N 1 0 353.532 2.465 20 10 FECDRO C[NH+](C)CC(C)(C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837651807 680630058 /nfs/dbraw/zinc/63/00/58/680630058.db2.gz QUFHOVLZQZSCDD-UHFFFAOYSA-N 1 0 350.532 2.379 20 10 FECDRO Cc1cc(Br)cc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000841891829 680916726 /nfs/dbraw/zinc/91/67/26/680916726.db2.gz PSFPVVYRNONGTB-QWHCGFSZSA-N 1 0 357.292 2.350 20 10 FECDRO [NH3+]C[C@@H](NC(=O)NCc1cccc(Br)c1O)C1CCCC1 ZINC000841987031 680920241 /nfs/dbraw/zinc/92/02/41/680920241.db2.gz PHVQYGBKRGXIAS-CYBMUJFWSA-N 1 0 356.264 2.471 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000842784519 680966172 /nfs/dbraw/zinc/96/61/72/680966172.db2.gz HRUDPGRKJFWICS-KRWDZBQOSA-N 1 0 369.437 2.150 20 10 FECDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769007515 680967792 /nfs/dbraw/zinc/96/77/92/680967792.db2.gz UOODLKVOOOFTTQ-ZBFHGGJFSA-N 1 0 351.466 2.255 20 10 FECDRO CCOc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(O)c1 ZINC000771982220 681077159 /nfs/dbraw/zinc/07/71/59/681077159.db2.gz XQBKDGQYABZAOS-UHFFFAOYSA-N 1 0 370.496 2.263 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844980209 681096477 /nfs/dbraw/zinc/09/64/77/681096477.db2.gz XFYUCBPLPLFMSZ-MRXNPFEDSA-N 1 0 367.877 2.488 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]CC2(N3CCOCC3)CC2)c1O ZINC000775137363 681276861 /nfs/dbraw/zinc/27/68/61/681276861.db2.gz LNOXJBGYRJENBQ-UHFFFAOYSA-N 1 0 355.276 2.418 20 10 FECDRO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000775396396 681303783 /nfs/dbraw/zinc/30/37/83/681303783.db2.gz SXHBYKNCJGIILJ-JKSUJKDBSA-N 1 0 372.918 2.177 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934337452 681554786 /nfs/dbraw/zinc/55/47/86/681554786.db2.gz XBNUSZOJVRIDFW-MRXNPFEDSA-N 1 0 358.511 2.390 20 10 FECDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1 ZINC000848531166 681572830 /nfs/dbraw/zinc/57/28/30/681572830.db2.gz ODRYUAMIZWILLN-HOCLYGCPSA-N 1 0 354.541 2.295 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1O ZINC000848536723 681574348 /nfs/dbraw/zinc/57/43/48/681574348.db2.gz UMDFBHXFKACTCS-ZANVPECISA-N 1 0 370.247 2.281 20 10 FECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3)cc2)CC1 ZINC000850406041 681898384 /nfs/dbraw/zinc/89/83/84/681898384.db2.gz PEJAHOYVTCLBDY-OAHLLOKOSA-N 1 0 357.420 2.374 20 10 FECDRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2c(O)cccc2F)CC1 ZINC000917413100 685531938 /nfs/dbraw/zinc/53/19/38/685531938.db2.gz VPRCYJGPWFFRMV-UHFFFAOYSA-N 1 0 353.438 2.220 20 10 FECDRO CCOC(=O)c1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)s1 ZINC000853348496 682408146 /nfs/dbraw/zinc/40/81/46/682408146.db2.gz JEGLAGGNXXUJAE-VIFPVBQESA-N 1 0 353.473 2.067 20 10 FECDRO O=C1[C@@H]([NH2+]Cc2c(O)cccc2Br)CCN1C1CCOCC1 ZINC000858147798 682938277 /nfs/dbraw/zinc/93/82/77/682938277.db2.gz AIFXJZUAPMGDHW-AWEZNQCLSA-N 1 0 369.259 2.024 20 10 FECDRO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000858468009 682970968 /nfs/dbraw/zinc/97/09/68/682970968.db2.gz BHUKFMPOLVUTAU-KKXDTOCCSA-N 1 0 354.878 2.367 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000926943305 683187460 /nfs/dbraw/zinc/18/74/60/683187460.db2.gz BZFHZRVIAOIULD-ZIGSKRJUSA-N 1 0 350.434 2.117 20 10 FECDRO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000927135655 683211151 /nfs/dbraw/zinc/21/11/51/683211151.db2.gz ZWTSYJRITOAZPF-FZKQIMNGSA-N 1 0 364.877 2.294 20 10 FECDRO C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000861595564 683440673 /nfs/dbraw/zinc/44/06/73/683440673.db2.gz DDRCJTQWGCPRQU-QWHCGFSZSA-N 1 0 356.417 2.245 20 10 FECDRO COC(=O)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000799341731 683447281 /nfs/dbraw/zinc/44/72/81/683447281.db2.gz XSWAMBLMADVDSS-UHFFFAOYSA-N 1 0 350.434 2.485 20 10 FECDRO Oc1cccc(Br)c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000862212388 683550900 /nfs/dbraw/zinc/55/09/00/683550900.db2.gz ICRKVNMPRKFSFX-UHFFFAOYSA-N 1 0 368.319 2.368 20 10 FECDRO CN1C(=O)NCC12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC000862397886 683584202 /nfs/dbraw/zinc/58/42/02/683584202.db2.gz OSMOWEXHOAGJDG-UHFFFAOYSA-N 1 0 354.248 2.144 20 10 FECDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000863340263 683708517 /nfs/dbraw/zinc/70/85/17/683708517.db2.gz JLWDYSLUWDYGNT-CYBMUJFWSA-N 1 0 370.515 2.157 20 10 FECDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCSC[C@@H]34)cc2)CC1 ZINC000922522589 683740452 /nfs/dbraw/zinc/74/04/52/683740452.db2.gz DEHYGLLWWSTNAS-PMACEKPBSA-N 1 0 361.555 2.317 20 10 FECDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000866578114 684121890 /nfs/dbraw/zinc/12/18/90/684121890.db2.gz JOQQRTFIKZKYCD-CYBMUJFWSA-N 1 0 364.467 2.202 20 10 FECDRO CC1(C)CNC(=O)[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924905156 684505607 /nfs/dbraw/zinc/50/56/07/684505607.db2.gz GAVHWNLOKXWZHV-HNNXBMFYSA-N 1 0 353.413 2.371 20 10 FECDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1csc(Cc3ccc(N)cc3)n1)C2 ZINC000872265265 684933272 /nfs/dbraw/zinc/93/32/72/684933272.db2.gz MVDQHKAGCUBWII-KDURUIRLSA-N 1 0 356.495 2.388 20 10 FECDRO CO[C@]1(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCOC1 ZINC000876947025 686299108 /nfs/dbraw/zinc/29/91/08/686299108.db2.gz YXGIPSHQBHCUTB-CLCXKQKWSA-N 1 0 352.450 2.334 20 10 FECDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)OC ZINC000877031211 686314456 /nfs/dbraw/zinc/31/44/56/686314456.db2.gz RRCLOYKSQPTRLI-MAUKXSAKSA-N 1 0 354.516 2.072 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000883069981 687556656 /nfs/dbraw/zinc/55/66/56/687556656.db2.gz CLPLCHPASXHBSQ-AWEZNQCLSA-N 1 0 371.312 2.431 20 10 FECDRO CSC1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889659109 688803603 /nfs/dbraw/zinc/80/36/03/688803603.db2.gz QUDYXNHXONCXJK-UHFFFAOYSA-N 1 0 362.543 2.475 20 10 FECDRO C[C@@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)c1ccc(N(C)C)cc1 ZINC000891814403 689111442 /nfs/dbraw/zinc/11/14/42/689111442.db2.gz RVWUZISKZCJMNF-GFCCVEGCSA-N 1 0 359.499 2.497 20 10 FECDRO COC(=O)c1c(C[NH2+][C@H](C)[C@@H](CO)SC)c2cc(F)ccc2n1C ZINC000894279814 689499437 /nfs/dbraw/zinc/49/94/37/689499437.db2.gz AJVRPEKXTWROQY-MEBBXXQBSA-N 1 0 354.447 2.306 20 10 FECDRO COC(=O)c1c(C[NH2+][C@@H](C)CC[S@](C)=O)c2cc(F)ccc2n1C ZINC000894332893 689511818 /nfs/dbraw/zinc/51/18/18/689511818.db2.gz JJDYETSRVWKSQA-BUBHHJDNSA-N 1 0 354.447 2.351 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC4(C[C@@H]3F)OCCO4)C2)cc1 ZINC000895308665 689692710 /nfs/dbraw/zinc/69/27/10/689692710.db2.gz APZPDICUOJOLAW-WBAXXEDZSA-N 1 0 350.434 2.497 20 10 FECDRO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895836607 689777815 /nfs/dbraw/zinc/77/78/15/689777815.db2.gz NTRXOUVIJIZADP-INIZCTEOSA-N 1 0 362.367 2.409 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)NCC2SCCS2)[NH+](C)C)cc1 ZINC000895873415 689785661 /nfs/dbraw/zinc/78/56/61/689785661.db2.gz SUTZRPIFIHPQEG-HNNXBMFYSA-N 1 0 368.572 2.461 20 10 FECDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2cc(O)c(O)cc2s1 ZINC000897234745 689992382 /nfs/dbraw/zinc/99/23/82/689992382.db2.gz IVMGKGYHDRHKPS-CYBMUJFWSA-N 1 0 364.467 2.279 20 10 FECDRO CN(C)c1ccc([C@H](CNc2nc(N)nc(C(F)F)n2)[NH+](C)C)cc1 ZINC000897523835 690034199 /nfs/dbraw/zinc/03/41/99/690034199.db2.gz XUXPSKQFNVDMJU-LBPRGKRZSA-N 1 0 351.405 2.172 20 10 FECDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)N1CCCC1 ZINC000897832190 690087405 /nfs/dbraw/zinc/08/74/05/690087405.db2.gz IDRLJVVFTOZDPR-UHFFFAOYSA-N 1 0 351.516 2.192 20 10 FECDRO COc1cc(C)cc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1O ZINC000898399331 690175732 /nfs/dbraw/zinc/17/57/32/690175732.db2.gz ATUHRLYLGZFCQU-RUZDIDTESA-N 1 0 369.531 2.496 20 10 FECDRO CC(C)[C@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102481 690304382 /nfs/dbraw/zinc/30/43/82/690304382.db2.gz PUUAKHDOGAPSLO-ROUUACIJSA-N 1 0 350.507 2.062 20 10 FECDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000902801584 690809185 /nfs/dbraw/zinc/80/91/85/690809185.db2.gz BPALTEVOAZPXQC-PKOBYXMFSA-N 1 0 366.527 2.359 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)cc1OC ZINC000905700050 691164560 /nfs/dbraw/zinc/16/45/60/691164560.db2.gz DGJWBUMCHZIRJR-FZKQIMNGSA-N 1 0 350.415 2.120 20 10 FECDRO CC[N@H+](CCOCCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000800532482 674059986 /nfs/dbraw/zinc/05/99/86/674059986.db2.gz XEWNAMHZPALVRL-UHFFFAOYSA-N 1 0 351.447 2.416 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000071952635 541776723 /nfs/dbraw/zinc/77/67/23/541776723.db2.gz RQNBUQXOKNEUCU-FQEVSTJZSA-N 1 0 358.530 2.271 20 10 FECDRO CCCOc1ccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c(O)c1 ZINC000092074490 542844052 /nfs/dbraw/zinc/84/40/52/542844052.db2.gz SPRITCNUSRDNPU-UHFFFAOYSA-N 1 0 372.469 2.309 20 10 FECDRO C[C@@H]1CN(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CCO1 ZINC000092079294 542844859 /nfs/dbraw/zinc/84/48/59/542844859.db2.gz TVNCZZWNQPXTEZ-GOSISDBHSA-N 1 0 359.514 2.208 20 10 FECDRO COc1cccc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000092585677 542872978 /nfs/dbraw/zinc/87/29/78/542872978.db2.gz YGGGYTSXFNYXDF-GFCCVEGCSA-N 1 0 350.440 2.241 20 10 FECDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000093011535 542901794 /nfs/dbraw/zinc/90/17/94/542901794.db2.gz MBLSPWOMIBNLFP-OAQYLSRUSA-N 1 0 359.514 2.210 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(Cc3nccn3C)CC2)cc1 ZINC000106165357 543210967 /nfs/dbraw/zinc/21/09/67/543210967.db2.gz NMUWZTLBSASUSW-UHFFFAOYSA-N 1 0 369.513 2.057 20 10 FECDRO COCCOc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000109772733 543338525 /nfs/dbraw/zinc/33/85/25/543338525.db2.gz AEOACJOXAZIICF-UHFFFAOYSA-N 1 0 358.438 2.166 20 10 FECDRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120280374 543678315 /nfs/dbraw/zinc/67/83/15/543678315.db2.gz OZIBKIAYXBJXBQ-CQSZACIVSA-N 1 0 361.417 2.336 20 10 FECDRO CC[C@@H](C)OCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000127272712 543982142 /nfs/dbraw/zinc/98/21/42/543982142.db2.gz FZDLOKWUBQTKLR-OAHLLOKOSA-N 1 0 351.466 2.399 20 10 FECDRO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1 ZINC000133607436 544276729 /nfs/dbraw/zinc/27/67/29/544276729.db2.gz DYVALTBVEZWJEA-SFHVURJKSA-N 1 0 368.529 2.406 20 10 FECDRO C[C@](O)(C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000804461349 674288147 /nfs/dbraw/zinc/28/81/47/674288147.db2.gz XNBPKCPMTLPCJQ-MAUKXSAKSA-N 1 0 352.862 2.287 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3ncnc4c3cnn4C)cc2F)CC1 ZINC000171677046 546218220 /nfs/dbraw/zinc/21/82/20/546218220.db2.gz CXIRGPWIAVIBPO-UHFFFAOYSA-N 1 0 369.448 2.256 20 10 FECDRO COc1cccc(CNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1O ZINC000175939554 546377042 /nfs/dbraw/zinc/37/70/42/546377042.db2.gz PCSIRPXVPRXFOE-UHFFFAOYSA-N 1 0 361.417 2.471 20 10 FECDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000176042602 546394287 /nfs/dbraw/zinc/39/42/87/546394287.db2.gz VBAGXHYWHPTGOI-UHFFFAOYSA-N 1 0 368.481 2.378 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3[C@@H]4CCC[C@H]34)CC2)cc1 ZINC000178085330 546737331 /nfs/dbraw/zinc/73/73/31/546737331.db2.gz FOIRULODXOHSNI-YOFSQIOKSA-N 1 0 357.498 2.370 20 10 FECDRO O=S(=O)(NC1CC[NH+](Cc2ccccc2O)CC1)c1ccc(F)cc1 ZINC000179560233 546976366 /nfs/dbraw/zinc/97/63/66/546976366.db2.gz DTCIACJGYOFNAI-UHFFFAOYSA-N 1 0 364.442 2.474 20 10 FECDRO CCCS(=O)(=O)NC1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000180019741 547039607 /nfs/dbraw/zinc/03/96/07/547039607.db2.gz IFUDMLULEJHYHY-UHFFFAOYSA-N 1 0 356.488 2.085 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@H](C)OC)cc2F)CC1 ZINC000181377849 547304446 /nfs/dbraw/zinc/30/44/46/547304446.db2.gz FXMNJRCWVDWGQA-HNNXBMFYSA-N 1 0 351.466 2.399 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000185194990 547950124 /nfs/dbraw/zinc/95/01/24/547950124.db2.gz ISFVICYSTREFOK-CQSZACIVSA-N 1 0 364.467 2.338 20 10 FECDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000246881342 549233639 /nfs/dbraw/zinc/23/36/39/549233639.db2.gz BBWRLTIYLFTLSH-VQIMIIECSA-N 1 0 355.486 2.148 20 10 FECDRO Cc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000263712476 549924096 /nfs/dbraw/zinc/92/40/96/549924096.db2.gz DMCADPSEKVHWSB-QGZVFWFLSA-N 1 0 354.498 2.460 20 10 FECDRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000269255123 550172975 /nfs/dbraw/zinc/17/29/75/550172975.db2.gz ROKRMVLUAAFBMP-CPUCHLNUSA-N 1 0 351.466 2.429 20 10 FECDRO COc1cc(O)c(CN(C)Cc2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000271069709 550337659 /nfs/dbraw/zinc/33/76/59/550337659.db2.gz DOGUAHOYNRXFNL-UHFFFAOYSA-N 1 0 365.451 2.445 20 10 FECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(OC)c(OC)cc1O)CC2 ZINC000271883672 550408117 /nfs/dbraw/zinc/40/81/17/550408117.db2.gz VTAAPFIJANGXFA-ZWKOTPCHSA-N 1 0 351.443 2.161 20 10 FECDRO CC(=O)NCCN(Cc1cccc(C)c1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272870358 550474541 /nfs/dbraw/zinc/47/45/41/550474541.db2.gz LWWGAMTZOWKOHT-AWEZNQCLSA-N 1 0 350.459 2.369 20 10 FECDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(O)c1O ZINC000273065284 550483498 /nfs/dbraw/zinc/48/34/98/550483498.db2.gz ZBYLODJPEHNVRF-FUHWJXTLSA-N 1 0 370.449 2.019 20 10 FECDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CC[NH+](C)CC1 ZINC000273301138 550493863 /nfs/dbraw/zinc/49/38/63/550493863.db2.gz BLKFJWWYTYVRAZ-RHSMWYFYSA-N 1 0 350.463 2.223 20 10 FECDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000273799077 550511572 /nfs/dbraw/zinc/51/15/72/550511572.db2.gz WUSVKSRQEGMIEQ-STQMWFEESA-N 1 0 370.877 2.417 20 10 FECDRO CN(CCCCO)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000276379897 550578284 /nfs/dbraw/zinc/57/82/84/550578284.db2.gz LCVRHADVTGZWBQ-UHFFFAOYSA-N 1 0 366.417 2.105 20 10 FECDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1=O ZINC000276590389 550579391 /nfs/dbraw/zinc/57/93/91/550579391.db2.gz DIYLNCBBGANJAL-MRXNPFEDSA-N 1 0 359.449 2.393 20 10 FECDRO O=C(NCc1cccc(Br)c1O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000277276964 550650907 /nfs/dbraw/zinc/65/09/07/550650907.db2.gz AOFWFYPSRROVDR-NSHDSACASA-N 1 0 368.275 2.438 20 10 FECDRO CC[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N(C)C)cc1 ZINC000280946029 551048507 /nfs/dbraw/zinc/04/85/07/551048507.db2.gz JEVWZLDZGXKZGT-KSSFIOAISA-N 1 0 355.486 2.351 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000282223276 551197691 /nfs/dbraw/zinc/19/76/91/551197691.db2.gz AXRQPCHDUSHLIY-HNNXBMFYSA-N 1 0 371.275 2.257 20 10 FECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000282540520 551244018 /nfs/dbraw/zinc/24/40/18/551244018.db2.gz VYXPGVPACZTRJT-HNNXBMFYSA-N 1 0 361.486 2.107 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000283852160 551438489 /nfs/dbraw/zinc/43/84/89/551438489.db2.gz BNDSUVLBDAREDE-UHFFFAOYSA-N 1 0 361.486 2.120 20 10 FECDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286759300 551923061 /nfs/dbraw/zinc/92/30/61/551923061.db2.gz FVSNCGRAVDBCOP-YLJYHZDGSA-N 1 0 358.530 2.270 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)n1cncn1 ZINC000289540527 552337721 /nfs/dbraw/zinc/33/77/21/552337721.db2.gz BPAKZLIKVFPHQT-MRXNPFEDSA-N 1 0 357.502 2.400 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccnnc3)cc2F)CC1 ZINC000297281970 553273091 /nfs/dbraw/zinc/27/30/91/553273091.db2.gz ABPQBHIYBAKKNP-UHFFFAOYSA-N 1 0 358.421 2.079 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000297622916 553316746 /nfs/dbraw/zinc/31/67/46/553316746.db2.gz IZRIJKARIISYPD-QFBILLFUSA-N 1 0 355.486 2.309 20 10 FECDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2N1 ZINC000301792522 553679533 /nfs/dbraw/zinc/67/95/33/553679533.db2.gz RGSJBMXEOBVJER-WFASDCNBSA-N 1 0 372.425 2.379 20 10 FECDRO Cn1cc(N2CC[C@H]([NH2+]Cc3cc(Br)ccc3O)C2)cn1 ZINC000361014206 554900080 /nfs/dbraw/zinc/90/00/80/554900080.db2.gz YNLYNEVBPGHUJS-ZDUSSCGKSA-N 1 0 351.248 2.257 20 10 FECDRO O=S1(=O)CCC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000362252997 554958244 /nfs/dbraw/zinc/95/82/44/554958244.db2.gz DWOZUWWTKZLIMK-AWEZNQCLSA-N 1 0 374.453 2.424 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000363892879 555208269 /nfs/dbraw/zinc/20/82/69/555208269.db2.gz DFERIYDFOMGFGZ-SCLBCKFNSA-N 1 0 370.453 2.341 20 10 FECDRO C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366323464 555812252 /nfs/dbraw/zinc/81/22/52/555812252.db2.gz MBEDUMQPTYOUSQ-OLZOCXBDSA-N 1 0 359.392 2.383 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c(O)c1 ZINC000366536750 555870844 /nfs/dbraw/zinc/87/08/44/555870844.db2.gz SUPXJCGGPNPFLZ-LJQANCHMSA-N 1 0 361.442 2.086 20 10 FECDRO Cc1nnc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)s1 ZINC000367800251 556142289 /nfs/dbraw/zinc/14/22/89/556142289.db2.gz ITADNXFDHNQRTO-UHFFFAOYSA-N 1 0 373.526 2.442 20 10 FECDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052288 556204279 /nfs/dbraw/zinc/20/42/79/556204279.db2.gz VCGVSSDOEYVKOF-KDOFPFPSSA-N 1 0 362.470 2.469 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000368200547 556246708 /nfs/dbraw/zinc/24/67/08/556246708.db2.gz PPOKOQKZKSYNAK-CQSZACIVSA-N 1 0 363.477 2.334 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1OC ZINC000368226059 556252917 /nfs/dbraw/zinc/25/29/17/556252917.db2.gz JUBIZRHYLXESJJ-CRAIPNDOSA-N 1 0 351.443 2.209 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1OC ZINC000368405411 556298356 /nfs/dbraw/zinc/29/83/56/556298356.db2.gz YPORTJJWGUCAFB-JLTOFOAXSA-N 1 0 374.485 2.316 20 10 FECDRO CCc1nc(CN2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCN4C)C2)no1 ZINC000368570108 556349013 /nfs/dbraw/zinc/34/90/13/556349013.db2.gz RDSYTPSCJJGWLL-KRWDZBQOSA-N 1 0 355.486 2.379 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(N)=O)C2)c(O)c1 ZINC000369035302 556483562 /nfs/dbraw/zinc/48/35/62/556483562.db2.gz LECIMOIHBGDXHI-AWEZNQCLSA-N 1 0 358.442 2.383 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369373454 556583228 /nfs/dbraw/zinc/58/32/28/556583228.db2.gz PFLKEGBEWNPLEE-GOSISDBHSA-N 1 0 374.529 2.482 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000373189985 557646692 /nfs/dbraw/zinc/64/66/92/557646692.db2.gz KEDJEOUEWVQKRB-YVEFUNNKSA-N 1 0 351.834 2.164 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375304644 558006548 /nfs/dbraw/zinc/00/65/48/558006548.db2.gz UKCYEVQAZJRSDU-WSXQUGQNSA-N 1 0 361.461 2.370 20 10 FECDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375304642 558006710 /nfs/dbraw/zinc/00/67/10/558006710.db2.gz UKCYEVQAZJRSDU-QKMWGZLOSA-N 1 0 361.461 2.370 20 10 FECDRO COc1cccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1O ZINC000375569163 558050213 /nfs/dbraw/zinc/05/02/13/558050213.db2.gz GVDIXAWDOIJTSH-AWEZNQCLSA-N 1 0 372.469 2.088 20 10 FECDRO COc1ccc(O)c(CNC(=O)C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000377810098 558424550 /nfs/dbraw/zinc/42/45/50/558424550.db2.gz XRBHXDNMSQUISD-UHFFFAOYSA-N 1 0 355.438 2.324 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000472245750 561021799 /nfs/dbraw/zinc/02/17/99/561021799.db2.gz ZTYPWXYSPKGNNL-KRWDZBQOSA-N 1 0 370.497 2.350 20 10 FECDRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1O ZINC000735558853 598617918 /nfs/dbraw/zinc/61/79/18/598617918.db2.gz GNEQWMYQBUNJQF-LBPRGKRZSA-N 1 0 352.398 2.031 20 10 FECDRO C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000833812608 605993136 /nfs/dbraw/zinc/99/31/36/605993136.db2.gz KPUJHAOMCIYRGZ-FUHWJXTLSA-N 1 0 360.502 2.307 20 10 FECDRO CCNS(=O)(=O)CC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810226347 674537557 /nfs/dbraw/zinc/53/75/57/674537557.db2.gz XIHPHTWGUZDOPJ-GFCCVEGCSA-N 1 0 354.394 2.391 20 10 FECDRO Oc1ccccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826511310 608872624 /nfs/dbraw/zinc/87/26/24/608872624.db2.gz KJBFMFSIGBOVEQ-UHFFFAOYSA-N 1 0 354.389 2.034 20 10 FECDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000814171318 674823994 /nfs/dbraw/zinc/82/39/94/674823994.db2.gz KEPNGZRKTWOICA-HNNXBMFYSA-N 1 0 357.495 2.138 20 10 FECDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000067449705 670458196 /nfs/dbraw/zinc/45/81/96/670458196.db2.gz DYYPZEOTTZPWAM-UHFFFAOYSA-N 1 0 360.479 2.087 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000074337506 670518013 /nfs/dbraw/zinc/51/80/13/670518013.db2.gz FREBOGMRNYESGC-UHFFFAOYSA-N 1 0 353.532 2.437 20 10 FECDRO CC[N@H+](CCC(=O)N1CCOCC1)Cc1cc(Br)ccc1O ZINC000076118517 670541894 /nfs/dbraw/zinc/54/18/94/670541894.db2.gz RWTRCOWOLPRVNX-UHFFFAOYSA-N 1 0 371.275 2.226 20 10 FECDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000113329766 670884237 /nfs/dbraw/zinc/88/42/37/670884237.db2.gz HZXNNDYBCQGMQL-UHFFFAOYSA-N 1 0 359.857 2.484 20 10 FECDRO COCCCNC(=O)C1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000164194899 672312551 /nfs/dbraw/zinc/31/25/51/672312551.db2.gz ADVWQQFKZBJRPB-UHFFFAOYSA-N 1 0 350.459 2.074 20 10 FECDRO C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000729683769 673243976 /nfs/dbraw/zinc/24/39/76/673243976.db2.gz ACRTZRLJDXSPPS-UHFFFAOYSA-N 1 0 356.854 2.071 20 10 FECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)C3CCS(=O)(=O)CC3)C2)cc1 ZINC000818342119 675215655 /nfs/dbraw/zinc/21/56/55/675215655.db2.gz LWARQKZVPOLEQD-HOTGVXAUSA-N 1 0 366.527 2.324 20 10 FECDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC000822575711 675492914 /nfs/dbraw/zinc/49/29/14/675492914.db2.gz WQGJTYBPCKWXQB-QGZVFWFLSA-N 1 0 351.491 2.412 20 10 FECDRO COc1cc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000824776213 675621423 /nfs/dbraw/zinc/62/14/23/675621423.db2.gz FQMHXIPYFFVMQL-CYBMUJFWSA-N 1 0 370.515 2.199 20 10 FECDRO Oc1cc(Br)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000824849840 675625182 /nfs/dbraw/zinc/62/51/82/675625182.db2.gz HXYKCEGLOOGXBG-UHFFFAOYSA-N 1 0 355.276 2.451 20 10 FECDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000825520005 675657433 /nfs/dbraw/zinc/65/74/33/675657433.db2.gz QZJQNXPCDKTGOJ-HNNXBMFYSA-N 1 0 360.248 2.337 20 10 FECDRO O=S1(=O)CC[C@H](CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000760855660 680703444 /nfs/dbraw/zinc/70/34/44/680703444.db2.gz HAQHIHIGNNPZRR-RDJZCZTQSA-N 1 0 353.484 2.198 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H](CCO)C2CCOCC2)c1O ZINC000763465607 680783595 /nfs/dbraw/zinc/78/35/95/680783595.db2.gz BDBPOBMCCQDYCC-CQSZACIVSA-N 1 0 374.275 2.431 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000764783749 680821040 /nfs/dbraw/zinc/82/10/40/680821040.db2.gz LYCWJVCIDZXZAN-ZDUSSCGKSA-N 1 0 368.275 2.438 20 10 FECDRO COCCNC(=O)C1([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000840821979 680844829 /nfs/dbraw/zinc/84/48/29/680844829.db2.gz IYDIPFZKUVXVDU-JTQLQIEISA-N 1 0 357.248 2.101 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000840827391 680845118 /nfs/dbraw/zinc/84/51/18/680845118.db2.gz ISTRYCLQFCWDGL-UONOGXRCSA-N 1 0 351.878 2.353 20 10 FECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840976436 680858334 /nfs/dbraw/zinc/85/83/34/680858334.db2.gz WFOJTQYAPQQDLK-LJQANCHMSA-N 1 0 350.434 2.437 20 10 FECDRO C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044543 680860852 /nfs/dbraw/zinc/86/08/52/680860852.db2.gz CPDXXMQALLZFBC-KXBFYZLASA-N 1 0 361.511 2.204 20 10 FECDRO COc1cc(Br)cc(CN[C@H]2C[NH2+]CCC2(F)F)c1O ZINC000841074143 680861997 /nfs/dbraw/zinc/86/19/97/680861997.db2.gz BVSUKAYPBZGARO-NSHDSACASA-N 1 0 351.191 2.250 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cncs1 ZINC000765978287 680862078 /nfs/dbraw/zinc/86/20/78/680862078.db2.gz NZZGOEGVFBYTQH-CYBMUJFWSA-N 1 0 351.497 2.229 20 10 FECDRO [O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841079036 680862309 /nfs/dbraw/zinc/86/23/09/680862309.db2.gz VXUZXDFEBXYZAD-JZYVYDRUSA-N 1 0 362.065 2.225 20 10 FECDRO [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)nn1 ZINC000841098932 680863249 /nfs/dbraw/zinc/86/32/49/680863249.db2.gz AGZQODUQHOJOEA-ZDUSSCGKSA-N 1 0 366.263 2.042 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000748647006 679983488 /nfs/dbraw/zinc/98/34/88/679983488.db2.gz KNONTZGFTRTNHQ-SFHVURJKSA-N 1 0 350.532 2.331 20 10 FECDRO CN(CC[NH2+][C@@H]1CCc2cccc(O)c21)S(=O)(=O)c1cccs1 ZINC000834689237 680257036 /nfs/dbraw/zinc/25/70/36/680257036.db2.gz KSNNFKKGNJPKNP-CYBMUJFWSA-N 1 0 352.481 2.351 20 10 FECDRO CN(CC[NH2+][C@H]1CCc2cccc(O)c21)S(=O)(=O)c1cccs1 ZINC000834689238 680257105 /nfs/dbraw/zinc/25/71/05/680257105.db2.gz KSNNFKKGNJPKNP-ZDUSSCGKSA-N 1 0 352.481 2.351 20 10 FECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834880830 680279808 /nfs/dbraw/zinc/27/98/08/680279808.db2.gz IGCWKBAYXFVLGJ-SIXWZSSISA-N 1 0 352.450 2.364 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1F ZINC000842784065 680966183 /nfs/dbraw/zinc/96/61/83/680966183.db2.gz GEZCFOGGPSVXDY-QGZVFWFLSA-N 1 0 351.447 2.178 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000842785255 680966298 /nfs/dbraw/zinc/96/62/98/680966298.db2.gz GBLVDBSMWRFJHW-OAHLLOKOSA-N 1 0 355.410 2.009 20 10 FECDRO Cc1cc(C(=O)N(C)CC[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843496727 681007157 /nfs/dbraw/zinc/00/71/57/681007157.db2.gz BCIZPFLPNIQIRA-UHFFFAOYSA-N 1 0 351.248 2.282 20 10 FECDRO COc1c(O)c(C[NH2+][C@H](C)C(=O)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775007363 681267283 /nfs/dbraw/zinc/26/72/83/681267283.db2.gz LPKQSGFZOYYYGB-NWDGAFQWSA-N 1 0 351.403 2.188 20 10 FECDRO NC(=O)[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccccc1Cl ZINC000776935397 681449642 /nfs/dbraw/zinc/44/96/42/681449642.db2.gz BXMIABLGWYNLEB-CYBMUJFWSA-N 1 0 362.813 2.208 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000848528205 681572040 /nfs/dbraw/zinc/57/20/40/681572040.db2.gz KJWGFHLBPQAQEZ-DGCLKSJQSA-N 1 0 372.307 2.060 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1O ZINC000848536719 681574140 /nfs/dbraw/zinc/57/41/40/681574140.db2.gz UMDFBHXFKACTCS-RNCFNFMXSA-N 1 0 370.247 2.281 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NCC2CC2)c1O ZINC000848544342 681574815 /nfs/dbraw/zinc/57/48/15/681574815.db2.gz QFRMUCPTILCBRP-VIFPVBQESA-N 1 0 357.248 2.340 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1O ZINC000848549795 681576243 /nfs/dbraw/zinc/57/62/43/681576243.db2.gz UNTMFTRLSUZTOS-QJPTWQEYSA-N 1 0 374.275 2.459 20 10 FECDRO NC(=O)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000779812412 681755994 /nfs/dbraw/zinc/75/59/94/681755994.db2.gz LVBFELYTFBNZHY-HNNXBMFYSA-N 1 0 367.877 2.172 20 10 FECDRO COc1cc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850225216 681869765 /nfs/dbraw/zinc/86/97/65/681869765.db2.gz LSKXKOOIZAMCAZ-CYBMUJFWSA-N 1 0 370.515 2.069 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(S(C)(=O)=O)c3)C2)cc1 ZINC000850346901 681888219 /nfs/dbraw/zinc/88/82/19/681888219.db2.gz LGAQJTXNROFETJ-INIZCTEOSA-N 1 0 360.479 2.467 20 10 FECDRO OC1CCN(c2ccc(C[NH2+]Cc3cnn(CC(F)F)c3)cc2)CC1 ZINC000850406485 681898578 /nfs/dbraw/zinc/89/85/78/681898578.db2.gz IBXZONBUNODZGS-UHFFFAOYSA-N 1 0 350.413 2.399 20 10 FECDRO COc1cc(N2CC[NH+]([C@@H]3CC[C@@H](OC)C3)CC2)cc(OC)c1OC ZINC000851935753 682187788 /nfs/dbraw/zinc/18/77/88/682187788.db2.gz GVNHNXUOICIFSD-GDBMZVCRSA-N 1 0 350.459 2.402 20 10 FECDRO COc1cc([N+](=O)[O-])c(N2CCO[C@@H](CCC[NH+](C)C)C2)cc1OC ZINC000853990367 682500035 /nfs/dbraw/zinc/50/00/35/682500035.db2.gz MOWPMXUHHGFAMQ-ZDUSSCGKSA-N 1 0 353.419 2.159 20 10 FECDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000788622737 682543407 /nfs/dbraw/zinc/54/34/07/682543407.db2.gz HMGXGOXSXGKGFP-IYOUNJFTSA-N 1 0 354.878 2.367 20 10 FECDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000858136562 682937501 /nfs/dbraw/zinc/93/75/01/682937501.db2.gz OJKFVLLIWCCSST-UHFFFAOYSA-N 1 0 350.278 2.458 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c1O ZINC000858472343 682971493 /nfs/dbraw/zinc/97/14/93/682971493.db2.gz YFCKWRKQAOKTOH-ZWKOPEQDSA-N 1 0 360.248 2.354 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccnn2C)c1O ZINC000927131751 683210769 /nfs/dbraw/zinc/21/07/69/683210769.db2.gz QRFNTQJKCJUIPV-ZANVPECISA-N 1 0 370.247 2.281 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c1O ZINC000927131746 683210803 /nfs/dbraw/zinc/21/08/03/683210803.db2.gz QRFNTQJKCJUIPV-NOZJJQNGSA-N 1 0 370.247 2.281 20 10 FECDRO O=C(COCC(F)F)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000860242446 683221936 /nfs/dbraw/zinc/22/19/36/683221936.db2.gz RKBHZKCPNVMKSG-CYBMUJFWSA-N 1 0 362.804 2.408 20 10 FECDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccccc1O ZINC000799725454 683487857 /nfs/dbraw/zinc/48/78/57/683487857.db2.gz HKWSEWIBIRNELM-NSHDSACASA-N 1 0 356.394 2.300 20 10 FECDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862326463 683569068 /nfs/dbraw/zinc/56/90/68/683569068.db2.gz OIXVXVJBBKJLBU-LLVKDONJSA-N 1 0 354.248 2.191 20 10 FECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862394937 683583697 /nfs/dbraw/zinc/58/36/97/683583697.db2.gz TZQURXGQVPWHEC-SNVBAGLBSA-N 1 0 360.273 2.493 20 10 FECDRO O=C(CCc1cn[nH]c1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000863897789 683785335 /nfs/dbraw/zinc/78/53/35/683785335.db2.gz VZKYYZDRCMCRIP-MRXNPFEDSA-N 1 0 362.861 2.482 20 10 FECDRO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(Br)ccc1O ZINC000866519451 684114749 /nfs/dbraw/zinc/11/47/49/684114749.db2.gz BGMXVKPVERHKNR-MEBBXXQBSA-N 1 0 371.231 2.027 20 10 FECDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@@H]21 ZINC000870982223 684777599 /nfs/dbraw/zinc/77/75/99/684777599.db2.gz MABOKEGZLZYEIK-PBHICJAKSA-N 1 0 356.495 2.482 20 10 FECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC(C)C ZINC000877031208 686314828 /nfs/dbraw/zinc/31/48/28/686314828.db2.gz ROFLAPALWLJDKP-GOSISDBHSA-N 1 0 354.516 2.072 20 10 FECDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)C1 ZINC000877146296 686332078 /nfs/dbraw/zinc/33/20/78/686332078.db2.gz RGFBDMKLUMSGNU-CQSZACIVSA-N 1 0 359.861 2.122 20 10 FECDRO Cc1cccc(O)c1CNc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000877512996 686397233 /nfs/dbraw/zinc/39/72/33/686397233.db2.gz IGNYUOMYFJAHOE-UHFFFAOYSA-N 1 0 363.483 2.153 20 10 FECDRO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000877799003 686466003 /nfs/dbraw/zinc/46/60/03/686466003.db2.gz HDTBQDHWTUVPAG-XYPHTWIQSA-N 1 0 350.434 2.163 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000879651050 686879606 /nfs/dbraw/zinc/87/96/06/686879606.db2.gz FUXNGUMIHICVKZ-QWHCGFSZSA-N 1 0 362.451 2.474 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)c3snnc3C3CC3)cc2)CC1 ZINC000881853108 687234401 /nfs/dbraw/zinc/23/44/01/687234401.db2.gz JJRNPWNORDMWEZ-UHFFFAOYSA-N 1 0 357.483 2.097 20 10 FECDRO C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])CN1CC[NH+](C)CC1 ZINC000882979831 687539768 /nfs/dbraw/zinc/53/97/68/687539768.db2.gz OKGJUQRGAMIZLP-LBPRGKRZSA-N 1 0 374.298 2.267 20 10 FECDRO C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000882988369 687541279 /nfs/dbraw/zinc/54/12/79/687541279.db2.gz MPGNXJCPYHBCFT-NSHDSACASA-N 1 0 360.271 2.019 20 10 FECDRO CC(C)c1nnc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883146705 687576966 /nfs/dbraw/zinc/57/69/66/687576966.db2.gz VYLSAOIKPKZIID-UHFFFAOYSA-N 1 0 359.499 2.343 20 10 FECDRO CSCC[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883432561 687628399 /nfs/dbraw/zinc/62/83/99/687628399.db2.gz UYDMARWLNAFJIZ-HNNXBMFYSA-N 1 0 350.532 2.379 20 10 FECDRO CC[C@H](CSC)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883591500 687676061 /nfs/dbraw/zinc/67/60/61/687676061.db2.gz FQXPDGLXDCFXOI-MRXNPFEDSA-N 1 0 350.532 2.379 20 10 FECDRO COCc1ncsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246300 689039716 /nfs/dbraw/zinc/03/97/16/689039716.db2.gz BXLRNCNKRNUUGI-MRXNPFEDSA-N 1 0 362.499 2.388 20 10 FECDRO C[C@H](O)c1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891248906 689039884 /nfs/dbraw/zinc/03/98/84/689039884.db2.gz OLCZGEMEKOCOJF-WFASDCNBSA-N 1 0 362.499 2.295 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(N)nc(Cl)c2)[NH+](C)C)cc1 ZINC000891253391 689040516 /nfs/dbraw/zinc/04/05/16/689040516.db2.gz SBGHLCMPYPSZOL-OAHLLOKOSA-N 1 0 361.877 2.416 20 10 FECDRO CCCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000891477831 689066440 /nfs/dbraw/zinc/06/64/40/689066440.db2.gz PAEZKFATTUCDBC-AWEZNQCLSA-N 1 0 357.472 2.199 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895850727 689781199 /nfs/dbraw/zinc/78/11/99/689781199.db2.gz FAWJZPZRQKGYAS-CQSZACIVSA-N 1 0 353.850 2.098 20 10 FECDRO CS[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1[NH+](C)C ZINC000897238008 689992922 /nfs/dbraw/zinc/99/29/22/689992922.db2.gz SZNFMXOUCNJAOX-ZUZCIYMTSA-N 1 0 352.481 2.430 20 10 FECDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCc3nnn(C)c3C2)c1O ZINC000897346583 690009902 /nfs/dbraw/zinc/00/99/02/690009902.db2.gz XATDWNAOGCCZPD-LBPRGKRZSA-N 1 0 351.248 2.239 20 10 FECDRO COc1cc(Cl)cc(C[NH+]2CCC(CN3CCNC3=O)CC2)c1O ZINC000897583451 690043863 /nfs/dbraw/zinc/04/38/63/690043863.db2.gz UTUTYIHNPINFEE-UHFFFAOYSA-N 1 0 353.850 2.291 20 10 FECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1CS(N)(=O)=O ZINC000897612165 690049043 /nfs/dbraw/zinc/04/90/43/690049043.db2.gz OOSCJWCVQYNWQZ-WBVHZDCISA-N 1 0 351.516 2.033 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)c1O ZINC000898467660 690187865 /nfs/dbraw/zinc/18/78/65/690187865.db2.gz OJZYRXJFFUZDKN-XJKSGUPXSA-N 1 0 369.259 2.454 20 10 FECDRO C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(Br)cc1O ZINC000903432769 690893263 /nfs/dbraw/zinc/89/32/63/690893263.db2.gz RDXWCDDRNVRRDI-SNVBAGLBSA-N 1 0 368.231 2.158 20 10 FECDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1C(F)(F)F ZINC000903982178 690991536 /nfs/dbraw/zinc/99/15/36/690991536.db2.gz MLJPDJPYLVHZBS-UKRRQHHQSA-N 1 0 361.383 2.374 20 10 FECDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000076774276 542321051 /nfs/dbraw/zinc/32/10/51/542321051.db2.gz QADVVLBWAVNZLX-QGZVFWFLSA-N 1 0 360.502 2.053 20 10 FECDRO COc1cccc(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1O ZINC000091921408 542832610 /nfs/dbraw/zinc/83/26/10/542832610.db2.gz HFMRODWMFJPXKU-GASCZTMLSA-N 1 0 362.470 2.249 20 10 FECDRO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000111235255 543388284 /nfs/dbraw/zinc/38/82/84/543388284.db2.gz PBZQMDZZIPGZFQ-ZBFHGGJFSA-N 1 0 356.422 2.169 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)CC3CC3)CC2)cc1 ZINC000120810046 543685333 /nfs/dbraw/zinc/68/53/33/543685333.db2.gz ASJCIAWSQITXHM-UHFFFAOYSA-N 1 0 360.502 2.259 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3=C(C)OCCC3)CC2)cc1 ZINC000160402695 546037345 /nfs/dbraw/zinc/03/73/45/546037345.db2.gz LNWJWFVRNXNTGJ-UHFFFAOYSA-N 1 0 373.497 2.408 20 10 FECDRO O=S(=O)(CCCF)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000161827373 546133900 /nfs/dbraw/zinc/13/39/00/546133900.db2.gz XZUVWIPEPRHRBW-CQSZACIVSA-N 1 0 364.870 2.289 20 10 FECDRO COc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1O ZINC000182297048 547469375 /nfs/dbraw/zinc/46/93/75/547469375.db2.gz FXDHFDSHWQUJAT-MRXNPFEDSA-N 1 0 368.499 2.227 20 10 FECDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccccc1O ZINC000183608403 547688252 /nfs/dbraw/zinc/68/82/52/547688252.db2.gz HKONNPIKBDHWRN-AWEZNQCLSA-N 1 0 368.499 2.016 20 10 FECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c1 ZINC000184980794 547911133 /nfs/dbraw/zinc/91/11/33/547911133.db2.gz MUSWTFDHMUPMRR-KRWDZBQOSA-N 1 0 355.486 2.354 20 10 FECDRO CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(=O)N1CCOCC1 ZINC000185665521 548017231 /nfs/dbraw/zinc/01/72/31/548017231.db2.gz FFUFVJCIFRRVAR-BXUZGUMPSA-N 1 0 371.275 2.443 20 10 FECDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185971104 548067728 /nfs/dbraw/zinc/06/77/28/548067728.db2.gz VQQVFOSDADZYGK-JTQLQIEISA-N 1 0 365.293 2.133 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186054619 548078749 /nfs/dbraw/zinc/07/87/49/548078749.db2.gz IRFCWFQVMVEIJK-SCLBCKFNSA-N 1 0 354.454 2.461 20 10 FECDRO COc1cc(N2CC[NH+](CC[C@@H]3CCCO3)CC2)cc(OC)c1OC ZINC000189974263 548315590 /nfs/dbraw/zinc/31/55/90/548315590.db2.gz RZEDOOTZBCQMQG-INIZCTEOSA-N 1 0 350.459 2.404 20 10 FECDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262199719 549798000 /nfs/dbraw/zinc/79/80/00/549798000.db2.gz UWIWWEQYBBOXLU-KRWDZBQOSA-N 1 0 352.482 2.138 20 10 FECDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000265811989 550014485 /nfs/dbraw/zinc/01/44/85/550014485.db2.gz VWNXAKGTERWYIT-FUHWJXTLSA-N 1 0 370.449 2.094 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000269224130 550169446 /nfs/dbraw/zinc/16/94/46/550169446.db2.gz DPXOYHFQMQNQTC-WOJBJXKFSA-N 1 0 374.529 2.272 20 10 FECDRO [NH3+]C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000269240936 550171013 /nfs/dbraw/zinc/17/10/13/550171013.db2.gz JPMFYMVNZJSEOI-OAQYLSRUSA-N 1 0 367.493 2.254 20 10 FECDRO CN(C)c1ccc(C[N@H+](CC(=O)N2CCC3(CC2)OCCO3)C2CC2)cc1 ZINC000269484485 550200599 /nfs/dbraw/zinc/20/05/99/550200599.db2.gz LARBLJDOFJZLCP-UHFFFAOYSA-N 1 0 373.497 2.083 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](CCO)c2ccccc2)cc1 ZINC000271724548 550398013 /nfs/dbraw/zinc/39/80/13/550398013.db2.gz XJJXGGVRJAMLBD-FQEVSTJZSA-N 1 0 355.482 2.424 20 10 FECDRO C[NH+](C)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)Cc2ccccc2C1 ZINC000272362382 550441190 /nfs/dbraw/zinc/44/11/90/550441190.db2.gz BPFXLXDMOWOUMU-CSKARUKUSA-N 1 0 352.434 2.326 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@H](c3nccn3C)C3CC3)CC2)cc1 ZINC000275124020 550570500 /nfs/dbraw/zinc/57/05/00/550570500.db2.gz UKALJZNTIYRLQI-FQEVSTJZSA-N 1 0 369.513 2.292 20 10 FECDRO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000275481053 550572564 /nfs/dbraw/zinc/57/25/64/550572564.db2.gz ABBWUYCVPQSYDO-UHFFFAOYSA-N 1 0 368.481 2.112 20 10 FECDRO CCOC(=O)c1csc(CC[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000276244391 550577557 /nfs/dbraw/zinc/57/75/57/550577557.db2.gz QTTDCBHEHQUKLJ-UHFFFAOYSA-N 1 0 350.396 2.086 20 10 FECDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277403453 550666132 /nfs/dbraw/zinc/66/61/32/550666132.db2.gz JZRMWFXIQDCPGP-IINYFYTJSA-N 1 0 368.275 2.437 20 10 FECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277403466 550666383 /nfs/dbraw/zinc/66/63/83/550666383.db2.gz JZRMWFXIQDCPGP-YGRLFVJLSA-N 1 0 368.275 2.437 20 10 FECDRO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C)cc1O ZINC000280106514 550961739 /nfs/dbraw/zinc/96/17/39/550961739.db2.gz NLUMAQPHXSJHER-WBVHZDCISA-N 1 0 370.515 2.230 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000284726270 551617693 /nfs/dbraw/zinc/61/76/93/551617693.db2.gz CWOJAINXJSPLTK-JNAXZKDPSA-N 1 0 355.486 2.499 20 10 FECDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286759289 551923161 /nfs/dbraw/zinc/92/31/61/551923161.db2.gz FVSNCGRAVDBCOP-FXAWDEMLSA-N 1 0 358.530 2.270 20 10 FECDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000287036419 551954687 /nfs/dbraw/zinc/95/46/87/551954687.db2.gz GAOXPYLCCDICNP-SOUVJXGZSA-N 1 0 366.481 2.189 20 10 FECDRO C[C@H](O)c1ncc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000289053580 552258991 /nfs/dbraw/zinc/25/89/91/552258991.db2.gz BLZHLOAWSBFRPY-LBPRGKRZSA-N 1 0 351.447 2.462 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000289250060 552289155 /nfs/dbraw/zinc/28/91/55/552289155.db2.gz FCSXBEVDZSGGOX-MRXNPFEDSA-N 1 0 373.497 2.288 20 10 FECDRO COc1cc(N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)cc(OC)c1OC ZINC000289987273 552410001 /nfs/dbraw/zinc/41/00/01/552410001.db2.gz QZSMRSNOPLXOHC-KRWDZBQOSA-N 1 0 352.475 2.241 20 10 FECDRO OCC1CCN(c2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2)CC1 ZINC000290827516 552545058 /nfs/dbraw/zinc/54/50/58/552545058.db2.gz HPNXVVAGKPXZMO-UHFFFAOYSA-N 1 0 351.454 2.456 20 10 FECDRO CCOC(=O)C1([S@@](C)=O)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000294751279 552931472 /nfs/dbraw/zinc/93/14/72/552931472.db2.gz IFLSLPSRUCOYOK-HSZRJFAPSA-N 1 0 359.875 2.322 20 10 FECDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296383377 553151153 /nfs/dbraw/zinc/15/11/53/553151153.db2.gz KOMLZZAFNPIWTF-SOUVJXGZSA-N 1 0 351.466 2.444 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@]3(C)[C@@H](C1)C3(F)F)cc2=O ZINC000298234622 553401582 /nfs/dbraw/zinc/40/15/82/553401582.db2.gz HZXNJGZTRZSWOC-WBMJQRKESA-N 1 0 366.368 2.089 20 10 FECDRO C[C@H]1CCC[N@H+](CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000298725905 553464266 /nfs/dbraw/zinc/46/42/66/553464266.db2.gz OGHSCBBWZKOJCM-SFHVURJKSA-N 1 0 374.529 2.397 20 10 FECDRO C[C@H](CS(C)(=O)=O)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000362256167 554958891 /nfs/dbraw/zinc/95/88/91/554958891.db2.gz LHEFQBBZVPPJOM-GFCCVEGCSA-N 1 0 362.442 2.280 20 10 FECDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000364734125 555388928 /nfs/dbraw/zinc/38/89/28/555388928.db2.gz JDKVFJOOYDLNGM-UEXGIBASSA-N 1 0 357.498 2.436 20 10 FECDRO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@H]12 ZINC000366481801 555856633 /nfs/dbraw/zinc/85/66/33/555856633.db2.gz LMPZNRNGSPVOHA-ROUUACIJSA-N 1 0 366.417 2.066 20 10 FECDRO COc1cc(O)c(CN2CCCC[C@@H]2CCS(C)(=O)=O)cc1OC ZINC000366532268 555869598 /nfs/dbraw/zinc/86/95/98/555869598.db2.gz CEFMSUNLJNVFTF-CQSZACIVSA-N 1 0 357.472 2.199 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1 ZINC000368827380 556423977 /nfs/dbraw/zinc/42/39/77/556423977.db2.gz ZUYRZESVKPPARE-HNNXBMFYSA-N 1 0 362.470 2.423 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371592351 557232921 /nfs/dbraw/zinc/23/29/21/557232921.db2.gz KNAFGYAOGLQVQT-GYAHQXATSA-N 1 0 355.482 2.279 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH+]2CCN(C3(C(N)=O)CCCCC3)CC2)c1 ZINC000372512627 557489586 /nfs/dbraw/zinc/48/95/86/557489586.db2.gz IUTUEWBPBVVGBB-OAHLLOKOSA-N 1 0 361.486 2.268 20 10 FECDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000372611417 557520404 /nfs/dbraw/zinc/52/04/04/557520404.db2.gz HILWGXQMKPDJBV-INIZCTEOSA-N 1 0 368.481 2.308 20 10 FECDRO COCCC[N@H+](C)CCNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373383660 557683787 /nfs/dbraw/zinc/68/37/87/557683787.db2.gz OGJWIQCJTUNLBX-UHFFFAOYSA-N 1 0 360.502 2.130 20 10 FECDRO O=C(CC1OCCCO1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373539318 557713700 /nfs/dbraw/zinc/71/37/00/557713700.db2.gz QZYHEKQZHAPQFK-OAHLLOKOSA-N 1 0 368.861 2.279 20 10 FECDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000373587390 557724048 /nfs/dbraw/zinc/72/40/48/557724048.db2.gz WUECLYWNKRUJDK-RTBURBONSA-N 1 0 362.470 2.066 20 10 FECDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805372 557934143 /nfs/dbraw/zinc/93/41/43/557934143.db2.gz IOQBDQACLRZZDY-KOHMXHNUSA-N 1 0 360.454 2.117 20 10 FECDRO COc1cccc(C[N@@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)c1O ZINC000375031288 557967019 /nfs/dbraw/zinc/96/70/19/557967019.db2.gz OTDPKLYJRLQUDE-UHFFFAOYSA-N 1 0 361.463 2.405 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c(O)c1 ZINC000375179173 557987914 /nfs/dbraw/zinc/98/79/14/557987914.db2.gz WLZFEELWCMSHJI-HNNXBMFYSA-N 1 0 374.441 2.396 20 10 FECDRO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)CCC2 ZINC000376614328 558198002 /nfs/dbraw/zinc/19/80/02/558198002.db2.gz GGHMOYIGVAORLW-HNNXBMFYSA-N 1 0 361.442 2.420 20 10 FECDRO CCCOc1ccc(C[NH2+]C2CCN(c3nccn(C)c3=O)CC2)c(O)c1 ZINC000376680794 558207288 /nfs/dbraw/zinc/20/72/88/558207288.db2.gz OTWDGYFULIRIMB-UHFFFAOYSA-N 1 0 372.469 2.033 20 10 FECDRO COCCCOCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378446845 558559377 /nfs/dbraw/zinc/55/93/77/558559377.db2.gz DBOZORMGVSMHEK-INIZCTEOSA-N 1 0 370.877 2.179 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000525922198 562259731 /nfs/dbraw/zinc/25/97/31/562259731.db2.gz HGHYVLBZWFVMJW-UHFFFAOYSA-N 1 0 371.529 2.314 20 10 FECDRO C[NH+](C)CCNC(=O)c1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000527762864 562303031 /nfs/dbraw/zinc/30/30/31/562303031.db2.gz JJPOICCCWBCFBL-UHFFFAOYSA-N 1 0 357.410 2.024 20 10 FECDRO CCC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1O ZINC000736469699 598524330 /nfs/dbraw/zinc/52/43/30/598524330.db2.gz KXBCEGMVAVUKJJ-UHFFFAOYSA-N 1 0 372.454 2.485 20 10 FECDRO C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000736793196 598702030 /nfs/dbraw/zinc/70/20/30/598702030.db2.gz TYGYKJMPOAJZRD-UHFFFAOYSA-N 1 0 352.398 2.033 20 10 FECDRO CCOc1ccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c(O)c1 ZINC000809733703 674507833 /nfs/dbraw/zinc/50/78/33/674507833.db2.gz DYMJWJAIQPJCIC-UHFFFAOYSA-N 1 0 362.455 2.493 20 10 FECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)CN(C)C1CC1 ZINC000809950947 674521384 /nfs/dbraw/zinc/52/13/84/674521384.db2.gz SKEXSSAJSPYQIB-OAHLLOKOSA-N 1 0 357.292 2.432 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1 ZINC000809971580 674522665 /nfs/dbraw/zinc/52/26/65/674522665.db2.gz HWIUNCXLCZUQHS-KPZWWZAWSA-N 1 0 354.447 2.327 20 10 FECDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826291769 608515597 /nfs/dbraw/zinc/51/55/97/608515597.db2.gz VKASXAMYWJNSTG-UHFFFAOYSA-N 1 0 350.426 2.203 20 10 FECDRO CN1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000006734491 669961550 /nfs/dbraw/zinc/96/15/50/669961550.db2.gz ZESWFUZBLJOUPE-UHFFFAOYSA-N 1 0 351.878 2.032 20 10 FECDRO CC[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000051740820 670303636 /nfs/dbraw/zinc/30/36/36/670303636.db2.gz AYNOEUKOXAWRJS-UHFFFAOYSA-N 1 0 351.466 2.256 20 10 FECDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090881480 670714984 /nfs/dbraw/zinc/71/49/84/670714984.db2.gz IPOPCDVHABCFRR-HNNXBMFYSA-N 1 0 351.466 2.475 20 10 FECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnsn1 ZINC000092126544 670735505 /nfs/dbraw/zinc/73/55/05/670735505.db2.gz KQYRPWNQKISFPW-UHFFFAOYSA-N 1 0 357.483 2.000 20 10 FECDRO CCC[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000123533123 671981176 /nfs/dbraw/zinc/98/11/76/671981176.db2.gz WTQSKJNOYPPDOR-HUUCEWRRSA-N 1 0 351.466 2.397 20 10 FECDRO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000164090929 672312137 /nfs/dbraw/zinc/31/21/37/672312137.db2.gz SPIQMTQYQKYCAT-UHFFFAOYSA-N 1 0 356.488 2.003 20 10 FECDRO C[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708098587 673064370 /nfs/dbraw/zinc/06/43/70/673064370.db2.gz KOXOXARMTVLBTG-UHFFFAOYSA-N 1 0 363.683 2.354 20 10 FECDRO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)CS(C)(=O)=O ZINC000723851509 673087122 /nfs/dbraw/zinc/08/71/22/673087122.db2.gz ZOFYKHWZAYWSEU-UHFFFAOYSA-N 1 0 350.278 2.315 20 10 FECDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742803985 673738375 /nfs/dbraw/zinc/73/83/75/673738375.db2.gz RUMLQPSLGYXNSJ-CZUORRHYSA-N 1 0 353.413 2.467 20 10 FECDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966905 675247623 /nfs/dbraw/zinc/24/76/23/675247623.db2.gz PFZLKEABUOMQFS-HLLBOEOZSA-N 1 0 354.466 2.316 20 10 FECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)COCc1cccs1 ZINC000818972651 675248238 /nfs/dbraw/zinc/24/82/38/675248238.db2.gz HLMBPQSBXROJLL-SFHVURJKSA-N 1 0 362.495 2.252 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000819076461 675258543 /nfs/dbraw/zinc/25/85/43/675258543.db2.gz CQHUWLIQZHJCRZ-QGZVFWFLSA-N 1 0 351.491 2.378 20 10 FECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)CC12COC2 ZINC000824489717 675606069 /nfs/dbraw/zinc/60/60/69/675606069.db2.gz PWQIXJJJFOKMAA-ZDUSSCGKSA-N 1 0 355.818 2.066 20 10 FECDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000824897118 675627595 /nfs/dbraw/zinc/62/75/95/675627595.db2.gz NNAJCSYKPADADT-CALCHBBNSA-N 1 0 355.463 2.089 20 10 FECDRO Oc1cc(Br)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000824902338 675627852 /nfs/dbraw/zinc/62/78/52/675627852.db2.gz UHIXNFKHHRMGJP-CYBMUJFWSA-N 1 0 355.276 2.309 20 10 FECDRO Cc1cc(Cl)cc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1O ZINC000825147641 675638988 /nfs/dbraw/zinc/63/89/88/675638988.db2.gz JOFCGYMBDKXUMS-MRXNPFEDSA-N 1 0 351.878 2.140 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1Cl ZINC000825886459 675672660 /nfs/dbraw/zinc/67/26/60/675672660.db2.gz PFBRHHLVZMJVCD-SJCJKPOMSA-N 1 0 351.834 2.307 20 10 FECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1O ZINC000827001058 675722300 /nfs/dbraw/zinc/72/23/00/675722300.db2.gz RVVAYEBFSLAAEJ-ZDUSSCGKSA-N 1 0 355.232 2.490 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc2F)C[C@@H](C)O1 ZINC000827365411 675751206 /nfs/dbraw/zinc/75/12/06/675751206.db2.gz RQMDJQUIKJUXSQ-GYSYKLTISA-N 1 0 359.392 2.038 20 10 FECDRO Cc1cc(Br)cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000827700642 675773535 /nfs/dbraw/zinc/77/35/35/675773535.db2.gz WCQCYTRFEWFWOY-MRXNPFEDSA-N 1 0 369.303 2.494 20 10 FECDRO CC1=NO[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544629 677046281 /nfs/dbraw/zinc/04/62/81/677046281.db2.gz SBIQNIJSXCYLJS-ZBFHGGJFSA-N 1 0 351.834 2.291 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]([NH3+])CC(F)F ZINC000830804317 677061682 /nfs/dbraw/zinc/06/16/82/677061682.db2.gz TXMXEGACQMCEJA-SNVBAGLBSA-N 1 0 351.191 2.486 20 10 FECDRO C[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC[N@@H+]1C ZINC000761283181 680717915 /nfs/dbraw/zinc/71/79/15/680717915.db2.gz RGJMDKZXCJUYNG-SMDDNHRTSA-N 1 0 351.834 2.293 20 10 FECDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146646 680741684 /nfs/dbraw/zinc/74/16/84/680741684.db2.gz PISUODMBBXUBBZ-SCLBCKFNSA-N 1 0 351.441 2.374 20 10 FECDRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840141718 680801726 /nfs/dbraw/zinc/80/17/26/680801726.db2.gz XEQFPVULUIQBPL-ABAIWWIYSA-N 1 0 360.376 2.134 20 10 FECDRO COc1ccsc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765243971 680837010 /nfs/dbraw/zinc/83/70/10/680837010.db2.gz LHFJIYSVRNZGBC-UHFFFAOYSA-N 1 0 366.508 2.281 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000840943195 680855261 /nfs/dbraw/zinc/85/52/61/680855261.db2.gz LNKUTLYUPJIUOW-UHFFFAOYSA-N 1 0 351.516 2.061 20 10 FECDRO Cc1cc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c(Cl)c1 ZINC000840941801 680855300 /nfs/dbraw/zinc/85/53/00/680855300.db2.gz MKTPRFQFKUYQNE-UHFFFAOYSA-N 1 0 369.870 2.410 20 10 FECDRO CN(Cc1ccc(N2CCCCC2)c(Br)c1)C[C@H](O)C[NH3+] ZINC000841094625 680862972 /nfs/dbraw/zinc/86/29/72/680862972.db2.gz ZMNWBFVXOQUNFD-CQSZACIVSA-N 1 0 356.308 2.191 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000753732058 680311658 /nfs/dbraw/zinc/31/16/58/680311658.db2.gz OJSVREMFOWJCGZ-HOCLYGCPSA-N 1 0 370.490 2.280 20 10 FECDRO O=C(C[NH+]1CCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000874279805 685341697 /nfs/dbraw/zinc/34/16/97/685341697.db2.gz VFRSXDDNLIWPEF-UHFFFAOYSA-N 1 0 353.413 2.469 20 10 FECDRO C[C@@H]1C[C@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000756561996 680485680 /nfs/dbraw/zinc/48/56/80/680485680.db2.gz DKWNTOCYXCDRDR-DOMZBBRYSA-N 1 0 370.490 2.178 20 10 FECDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837651639 680630091 /nfs/dbraw/zinc/63/00/91/680630091.db2.gz OCFWVNDKRBAZGE-KRWDZBQOSA-N 1 0 362.543 2.475 20 10 FECDRO C[NH2+]CCN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843435 680914359 /nfs/dbraw/zinc/91/43/59/680914359.db2.gz ILNPAHMGLYKTEK-CYBMUJFWSA-N 1 0 356.417 2.118 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841944362 680918243 /nfs/dbraw/zinc/91/82/43/680918243.db2.gz FKRLZRZUMLXWHV-CYBMUJFWSA-N 1 0 356.264 2.438 20 10 FECDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000841954333 680918972 /nfs/dbraw/zinc/91/89/72/680918972.db2.gz WCTOTMMYOCYOEX-GWCFXTLKSA-N 1 0 356.264 2.471 20 10 FECDRO CCOc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1 ZINC000842722615 680962288 /nfs/dbraw/zinc/96/22/88/680962288.db2.gz SDXUVZJZLKMZIS-OAHLLOKOSA-N 1 0 363.435 2.115 20 10 FECDRO CCOc1cccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842784137 680966178 /nfs/dbraw/zinc/96/61/78/680966178.db2.gz BUNOJLYDNDMQJR-GOSISDBHSA-N 1 0 363.483 2.130 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000842785603 680966287 /nfs/dbraw/zinc/96/62/87/680966287.db2.gz JAXZBCHYWLUNTP-LBPRGKRZSA-N 1 0 359.904 2.446 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000842786488 680966518 /nfs/dbraw/zinc/96/65/18/680966518.db2.gz SQOMMPHHQHBVCN-INIZCTEOSA-N 1 0 353.875 2.384 20 10 FECDRO Cc1ccc(CS(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1 ZINC000842786105 680966550 /nfs/dbraw/zinc/96/65/50/680966550.db2.gz UEJZFKBSJFNKFH-SFHVURJKSA-N 1 0 365.474 2.320 20 10 FECDRO Cc1cc(Br)cc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1O ZINC000843427993 681003670 /nfs/dbraw/zinc/00/36/70/681003670.db2.gz FEICFMXLDVFPAT-GFCCVEGCSA-N 1 0 370.291 2.015 20 10 FECDRO O=C([C@H]1C[NH2+]CCC1(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843487101 681006503 /nfs/dbraw/zinc/00/65/03/681006503.db2.gz ZLIZVYPAGRCPMM-HUUCEWRRSA-N 1 0 354.397 2.145 20 10 FECDRO COc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1C ZINC000771976728 681076623 /nfs/dbraw/zinc/07/66/23/681076623.db2.gz CHCVHZWTLMALQB-UHFFFAOYSA-N 1 0 354.497 2.475 20 10 FECDRO CCN1CC[NH+](CCCCNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844882983 681089623 /nfs/dbraw/zinc/08/96/23/681089623.db2.gz XFYNFHRHVDJJIJ-UHFFFAOYSA-N 1 0 368.909 2.263 20 10 FECDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cc(Cl)ccc3O)C2)CC1 ZINC000844985631 681096690 /nfs/dbraw/zinc/09/66/90/681096690.db2.gz RBCBRVYBMWMKPE-HNNXBMFYSA-N 1 0 366.893 2.013 20 10 FECDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000775380854 681302670 /nfs/dbraw/zinc/30/26/70/681302670.db2.gz YMPCFMJSWQOAOA-KFWWJZLASA-N 1 0 372.506 2.352 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1O ZINC000934263226 681538144 /nfs/dbraw/zinc/53/81/44/681538144.db2.gz NLPNIFNBJPDYFA-SJORKVTESA-N 1 0 352.862 2.279 20 10 FECDRO COCCN(C)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848524337 681571316 /nfs/dbraw/zinc/57/13/16/681571316.db2.gz DLKXVGJARMTUOL-NSHDSACASA-N 1 0 361.280 2.392 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1O ZINC000848529470 681572588 /nfs/dbraw/zinc/57/25/88/681572588.db2.gz NWXDCUISQOHSPD-ZANVPECISA-N 1 0 370.247 2.281 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c1O ZINC000848552107 681576317 /nfs/dbraw/zinc/57/63/17/681576317.db2.gz HETPSYVIAKGIFQ-BJOHPYRUSA-N 1 0 357.248 2.483 20 10 FECDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000778197180 681584804 /nfs/dbraw/zinc/58/48/04/681584804.db2.gz BKRYOLLIQROHQI-GFCCVEGCSA-N 1 0 350.415 2.468 20 10 FECDRO Fc1cc(C[NH2+]C2CSC2)ccc1N1CCN(c2ncccn2)CC1 ZINC000780872152 681881251 /nfs/dbraw/zinc/88/12/51/681881251.db2.gz HPAJCOKZTNGOBR-UHFFFAOYSA-N 1 0 359.474 2.147 20 10 FECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(S(C)(=O)=O)c3)C2)cc1 ZINC000850346905 681888296 /nfs/dbraw/zinc/88/82/96/681888296.db2.gz LGAQJTXNROFETJ-MRXNPFEDSA-N 1 0 360.479 2.467 20 10 FECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C3CCS(=O)(=O)CC3)C2)cc1 ZINC000850489189 681907317 /nfs/dbraw/zinc/90/73/17/681907317.db2.gz RWKWMXYGHSUAEA-GDBMZVCRSA-N 1 0 352.500 2.077 20 10 FECDRO O=C1[C@@H]([NH2+]Cc2c(O)cccc2Br)CCN1CC(F)(F)F ZINC000858134261 682937100 /nfs/dbraw/zinc/93/71/00/682937100.db2.gz NJBSLUYYQIPZSJ-JTQLQIEISA-N 1 0 367.165 2.408 20 10 FECDRO CN(C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1)S(C)(=O)=O ZINC000795651365 683077504 /nfs/dbraw/zinc/07/75/04/683077504.db2.gz RRHXMFJVULRYNV-CQSZACIVSA-N 1 0 363.483 2.044 20 10 FECDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccccc1O ZINC000796516433 683167322 /nfs/dbraw/zinc/16/73/22/683167322.db2.gz UIVJPMHTNKVNNG-UHFFFAOYSA-N 1 0 354.859 2.422 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000797070805 683220459 /nfs/dbraw/zinc/22/04/59/683220459.db2.gz SRRPKDXSRIMKGH-KGLIPLIRSA-N 1 0 370.490 2.279 20 10 FECDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)cc1C ZINC000799344951 683447145 /nfs/dbraw/zinc/44/71/45/683447145.db2.gz MQIMIPLTYWOLRZ-UHFFFAOYSA-N 1 0 370.421 2.355 20 10 FECDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c(O)cccc1Br ZINC000862335042 683573296 /nfs/dbraw/zinc/57/32/96/683573296.db2.gz XCPLBSRUIRITQR-GFCCVEGCSA-N 1 0 357.292 2.432 20 10 FECDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C(F)(F)F ZINC000863646889 683756581 /nfs/dbraw/zinc/75/65/81/683756581.db2.gz RBQMYAYNGPPHPF-DOTOQJQBSA-N 1 0 357.420 2.482 20 10 FECDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000863646892 683756598 /nfs/dbraw/zinc/75/65/98/683756598.db2.gz RBQMYAYNGPPHPF-WBVHZDCISA-N 1 0 357.420 2.482 20 10 FECDRO CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866765549 684147861 /nfs/dbraw/zinc/14/78/61/684147861.db2.gz YSKRBJWMQRNILB-CVEARBPZSA-N 1 0 367.877 2.041 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c1O ZINC000932092912 684406155 /nfs/dbraw/zinc/40/61/55/684406155.db2.gz HGTDFJUYDZYVKT-GOSISDBHSA-N 1 0 350.390 2.444 20 10 FECDRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000873015577 685049996 /nfs/dbraw/zinc/04/99/96/685049996.db2.gz PUFRYZIEEGSEJB-INIZCTEOSA-N 1 0 354.541 2.297 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000876699142 686246726 /nfs/dbraw/zinc/24/67/26/686246726.db2.gz RGZLFXNWOZTTHL-MRXNPFEDSA-N 1 0 371.275 2.259 20 10 FECDRO Cc1ccc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)c(O)c1 ZINC000877137381 686330954 /nfs/dbraw/zinc/33/09/54/686330954.db2.gz VTHHOBVJKRSWNW-UHFFFAOYSA-N 1 0 350.440 2.241 20 10 FECDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000877725761 686445676 /nfs/dbraw/zinc/44/56/76/686445676.db2.gz MURZGOKSUROXTC-SJKOYZFVSA-N 1 0 351.443 2.366 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3SCCCS3)cc2)CC1 ZINC000881853312 687234785 /nfs/dbraw/zinc/23/47/85/687234785.db2.gz QVCMJFZMSSJKNK-UHFFFAOYSA-N 1 0 351.541 2.251 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000883369963 687616165 /nfs/dbraw/zinc/61/61/65/687616165.db2.gz DEWOEGCJJFLHKY-NVXWUHKLSA-N 1 0 367.921 2.493 20 10 FECDRO C[C@@H]1CCSCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889664931 688804283 /nfs/dbraw/zinc/80/42/83/688804283.db2.gz ARKWMSHMYQCTMN-MRXNPFEDSA-N 1 0 362.543 2.475 20 10 FECDRO CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000892030631 689142908 /nfs/dbraw/zinc/14/29/08/689142908.db2.gz CFBHICFPDCSGQD-GOSISDBHSA-N 1 0 362.543 2.475 20 10 FECDRO COc1ccc(C[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000894185511 689482610 /nfs/dbraw/zinc/48/26/10/689482610.db2.gz PMSWSKCHCVXHLD-AWEZNQCLSA-N 1 0 352.431 2.126 20 10 FECDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1OC ZINC000894277614 689498990 /nfs/dbraw/zinc/49/89/90/689498990.db2.gz MHZKUQMKQTXKTA-KBXCAEBGSA-N 1 0 351.443 2.067 20 10 FECDRO COC(=O)c1c(C[NH2+]CC[C@@H](C)[S@](C)=O)c2cc(F)ccc2n1C ZINC000894410607 689526480 /nfs/dbraw/zinc/52/64/80/689526480.db2.gz RRCWWZUACTVHNB-JNDILOIQSA-N 1 0 354.447 2.351 20 10 FECDRO COCC[C@H](C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895339334 689698863 /nfs/dbraw/zinc/69/88/63/689698863.db2.gz LWJZEAILKUXFCP-YJBOKZPZSA-N 1 0 350.507 2.327 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)NCCc2ccns2)[NH+](C)C)cc1 ZINC000896418875 689872024 /nfs/dbraw/zinc/87/20/24/689872024.db2.gz RNOQRIJTWYHFFG-QGZVFWFLSA-N 1 0 361.515 2.354 20 10 FECDRO COc1ccc(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000897005349 689961930 /nfs/dbraw/zinc/96/19/30/689961930.db2.gz VLFJZLZHEZFGNG-LBPRGKRZSA-N 1 0 354.403 2.050 20 10 FECDRO O=c1cc(N2CC[C@H]([NH2+]Cc3c(O)cccc3Br)C2)nc[nH]1 ZINC000898150030 690134528 /nfs/dbraw/zinc/13/45/28/690134528.db2.gz MLTCZFRPAOIGQY-JTQLQIEISA-N 1 0 365.231 2.019 20 10 FECDRO CCC[C@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098515 690303173 /nfs/dbraw/zinc/30/31/73/690303173.db2.gz PFFPHYZCRUGOCU-SJLPKXTDSA-N 1 0 350.507 2.206 20 10 FECDRO CC[C@H](C[C@H](C)O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099158 690303904 /nfs/dbraw/zinc/30/39/04/690303904.db2.gz WFCDHUCKLNDSFE-YXJHDRRASA-N 1 0 350.507 2.204 20 10 FECDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)NCCF ZINC000800498204 674057249 /nfs/dbraw/zinc/05/72/49/674057249.db2.gz FBRXETJBFCUJEM-STQMWFEESA-N 1 0 357.857 2.301 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCSC)CC2)cc1 ZINC000058585614 540850623 /nfs/dbraw/zinc/85/06/23/540850623.db2.gz CINTZXJRSCVZJH-UHFFFAOYSA-N 1 0 351.516 2.077 20 10 FECDRO CCOCCN(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000089212996 542758763 /nfs/dbraw/zinc/75/87/63/542758763.db2.gz XPQLKAGHDKBTND-UHFFFAOYSA-N 1 0 366.481 2.146 20 10 FECDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000090231874 542783604 /nfs/dbraw/zinc/78/36/04/542783604.db2.gz MQRWBIXWSBYJQD-CQSZACIVSA-N 1 0 351.516 2.360 20 10 FECDRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C)ccc3O)CC2)n1 ZINC000091867769 542829055 /nfs/dbraw/zinc/82/90/55/542829055.db2.gz WFIMMLQEUAEVNA-OAHLLOKOSA-N 1 0 360.458 2.499 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3c(C)noc3C)cc2F)CC1 ZINC000106702782 543243659 /nfs/dbraw/zinc/24/36/59/543243659.db2.gz UIOMPZXDQXLMBV-UHFFFAOYSA-N 1 0 374.460 2.431 20 10 FECDRO COCCO[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000802653329 674190374 /nfs/dbraw/zinc/19/03/74/674190374.db2.gz RLAOLQBBAWZYMV-KRWDZBQOSA-N 1 0 352.450 2.290 20 10 FECDRO CCS(=O)(=O)N(C)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000124235963 543808308 /nfs/dbraw/zinc/80/83/08/543808308.db2.gz ABINUOGHBHPRPH-UHFFFAOYSA-N 1 0 357.495 2.138 20 10 FECDRO CC1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000126118172 543918926 /nfs/dbraw/zinc/91/89/26/543918926.db2.gz JMBAZTBOFHHVHS-HXUWFJFHSA-N 1 0 362.518 2.035 20 10 FECDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000127840669 544017149 /nfs/dbraw/zinc/01/71/49/544017149.db2.gz KWZWSWBXNJCHNH-WMZOPIPTSA-N 1 0 372.513 2.290 20 10 FECDRO C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000805187849 674324969 /nfs/dbraw/zinc/32/49/69/674324969.db2.gz YFNVQBWWTVXBHF-GWCFXTLKSA-N 1 0 356.264 2.437 20 10 FECDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000168351656 546159713 /nfs/dbraw/zinc/15/97/13/546159713.db2.gz BMCCKIISOCXTLQ-MRXNPFEDSA-N 1 0 365.493 2.424 20 10 FECDRO COc1ccc(N2CCCN(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)cc1 ZINC000171695516 546219123 /nfs/dbraw/zinc/21/91/23/546219123.db2.gz YPYVTUPXPVBYEW-MRXNPFEDSA-N 1 0 360.502 2.400 20 10 FECDRO COc1cc(O)c(CN2CCN(C(=O)c3ccccc3)CC2)cc1OC ZINC000179433484 546952530 /nfs/dbraw/zinc/95/25/30/546952530.db2.gz PDTGSGDCADLQFU-UHFFFAOYSA-N 1 0 356.422 2.367 20 10 FECDRO C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000180817377 547185800 /nfs/dbraw/zinc/18/58/00/547185800.db2.gz VGDVOEFOUGUDAH-KEDPEKRHSA-N 1 0 360.454 2.261 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182304709 547470757 /nfs/dbraw/zinc/47/07/57/547470757.db2.gz YERGCLSGRCSGPC-KRWDZBQOSA-N 1 0 368.499 2.227 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000182346695 547476122 /nfs/dbraw/zinc/47/61/22/547476122.db2.gz YYNRFSOYRMIIJY-CRAIPNDOSA-N 1 0 356.466 2.471 20 10 FECDRO CC[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccccc1O ZINC000185207860 547952227 /nfs/dbraw/zinc/95/22/27/547952227.db2.gz SSTBOYJXIUFVSP-GOSISDBHSA-N 1 0 355.486 2.435 20 10 FECDRO CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(=O)N1CCOCC1 ZINC000185665504 548016661 /nfs/dbraw/zinc/01/66/61/548016661.db2.gz FFUFVJCIFRRVAR-RISCZKNCSA-N 1 0 371.275 2.443 20 10 FECDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188891326 548289682 /nfs/dbraw/zinc/28/96/82/548289682.db2.gz XTZSZDZIRBISTK-QGZVFWFLSA-N 1 0 372.513 2.049 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3ccncn3)cc2F)CC1 ZINC000192351143 548362431 /nfs/dbraw/zinc/36/24/31/548362431.db2.gz PRUDIZQZZDVNPF-UHFFFAOYSA-N 1 0 371.460 2.007 20 10 FECDRO CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(Br)ccc1O ZINC000230990833 548762640 /nfs/dbraw/zinc/76/26/40/548762640.db2.gz IBMPFTAHWGVNDR-LBPRGKRZSA-N 1 0 365.293 2.087 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000237052448 548796794 /nfs/dbraw/zinc/79/67/94/548796794.db2.gz IBVDTSGMDNTATJ-UHFFFAOYSA-N 1 0 364.467 2.331 20 10 FECDRO CN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237220981 548809879 /nfs/dbraw/zinc/80/98/79/548809879.db2.gz KOLICBQGUBMQBI-ZCVGCFODSA-N 1 0 355.482 2.278 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238175203 548880977 /nfs/dbraw/zinc/88/09/77/548880977.db2.gz BRPQWNBZCGTTKJ-JBACZVJFSA-N 1 0 371.525 2.432 20 10 FECDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000246525469 549153649 /nfs/dbraw/zinc/15/36/49/549153649.db2.gz RPHHMDUCSDYBSG-UONOGXRCSA-N 1 0 353.413 2.373 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000264572347 549998444 /nfs/dbraw/zinc/99/84/44/549998444.db2.gz HVAOLXKYTBCTRC-HXUWFJFHSA-N 1 0 358.530 2.271 20 10 FECDRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000268452885 550068710 /nfs/dbraw/zinc/06/87/10/550068710.db2.gz WRGNQFSKNXYDCP-UHFFFAOYSA-N 1 0 357.838 2.279 20 10 FECDRO [NH3+][C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000269472840 550199780 /nfs/dbraw/zinc/19/97/80/550199780.db2.gz BWOUJIHEQAMLRV-LJQANCHMSA-N 1 0 371.456 2.493 20 10 FECDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000272326960 550437779 /nfs/dbraw/zinc/43/77/79/550437779.db2.gz MDPRPWUEQBDAOG-IOASZLSFSA-N 1 0 369.506 2.136 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1O ZINC000272456180 550450076 /nfs/dbraw/zinc/45/00/76/550450076.db2.gz XEXJLSQPEMCPBK-HOCLYGCPSA-N 1 0 359.875 2.180 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccncc3C)CC2)cc1 ZINC000274527301 550542291 /nfs/dbraw/zinc/54/22/91/550542291.db2.gz QKBBEAJHRLIKSS-UHFFFAOYSA-N 1 0 368.481 2.341 20 10 FECDRO COc1c([O-])c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278514983 550793986 /nfs/dbraw/zinc/79/39/86/550793986.db2.gz QQUJNWNVZMMSOK-KRWDZBQOSA-N 1 0 350.346 2.445 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@](C)(OC)CC1)cc2=O ZINC000280572753 551009038 /nfs/dbraw/zinc/00/90/38/551009038.db2.gz SDJATWKKKYBQJI-SFHVURJKSA-N 1 0 362.430 2.003 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1OC ZINC000282845193 551276959 /nfs/dbraw/zinc/27/69/59/551276959.db2.gz DAKBVFQNZVSZQP-SCLBCKFNSA-N 1 0 351.443 2.067 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000283992204 551463733 /nfs/dbraw/zinc/46/37/33/551463733.db2.gz JPHDHOSODPNFSS-LPHOPBHVSA-N 1 0 374.529 2.090 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccoc3)cc2F)CC1 ZINC000285301175 551734396 /nfs/dbraw/zinc/73/43/96/551734396.db2.gz UQNZVIIWVIWOFN-UHFFFAOYSA-N 1 0 367.446 2.039 20 10 FECDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000289271978 552293044 /nfs/dbraw/zinc/29/30/44/552293044.db2.gz GKXMTTJKMGAEBU-WFASDCNBSA-N 1 0 355.276 2.450 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCn2cc(CO)nn2)c1O ZINC000289922782 552400524 /nfs/dbraw/zinc/40/05/24/552400524.db2.gz VANQPDHMUNIHCB-LLVKDONJSA-N 1 0 369.263 2.288 20 10 FECDRO Cc1cnn([C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1 ZINC000290004788 552412907 /nfs/dbraw/zinc/41/29/07/552412907.db2.gz UCHVGIREJRNCJH-LJQANCHMSA-N 1 0 355.486 2.163 20 10 FECDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1 ZINC000296637541 553191614 /nfs/dbraw/zinc/19/16/14/553191614.db2.gz CFIOIGULJAEHPI-OAHLLOKOSA-N 1 0 358.467 2.104 20 10 FECDRO COCc1cc(CNCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000298257870 553404910 /nfs/dbraw/zinc/40/49/10/553404910.db2.gz FGEHYEGGGCGCDP-UHFFFAOYSA-N 1 0 374.485 2.132 20 10 FECDRO Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000298314679 553411713 /nfs/dbraw/zinc/41/17/13/553411713.db2.gz XOPVVSGJIUXKRY-UHFFFAOYSA-N 1 0 358.461 2.210 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000298784089 553472327 /nfs/dbraw/zinc/47/23/27/553472327.db2.gz RPKYSPYXLWPSOH-UHFFFAOYSA-N 1 0 361.486 2.074 20 10 FECDRO O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1COc2ccccc21 ZINC000361734479 554931782 /nfs/dbraw/zinc/93/17/82/554931782.db2.gz QYJKMUQITIZUBI-MRXNPFEDSA-N 1 0 355.413 2.028 20 10 FECDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccc(N(C)C)cc4)C[C@H]3C2)no1 ZINC000362086393 554948996 /nfs/dbraw/zinc/94/89/96/554948996.db2.gz LIDXMDXORUNJOQ-IRXDYDNUSA-N 1 0 355.486 2.262 20 10 FECDRO c1cnnc(N2CCC[C@H]2C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000363009891 555009351 /nfs/dbraw/zinc/00/93/51/555009351.db2.gz BIDWTFQAIVJZFL-IBGZPJMESA-N 1 0 353.470 2.072 20 10 FECDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000363535504 555130636 /nfs/dbraw/zinc/13/06/36/555130636.db2.gz SIQFSHHHRRBABY-UHFFFAOYSA-N 1 0 369.513 2.095 20 10 FECDRO CN1CC[NH+](C2(C(=O)NCc3ccc(N4CCCC4)cc3)CCCC2)CC1 ZINC000363998253 555230456 /nfs/dbraw/zinc/23/04/56/555230456.db2.gz UIFQWJJDWPAKHB-UHFFFAOYSA-N 1 0 370.541 2.463 20 10 FECDRO COc1ccc(N2CCC(N(C)C(=O)COC[C@H]3CCOC3)CC2)cc1 ZINC000365344111 555548939 /nfs/dbraw/zinc/54/89/39/555548939.db2.gz MASQJBNYRCFSAC-INIZCTEOSA-N 1 0 362.470 2.176 20 10 FECDRO O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000366325254 555812262 /nfs/dbraw/zinc/81/22/62/555812262.db2.gz OZUJCCAWTRGWND-QWHCGFSZSA-N 1 0 357.376 2.137 20 10 FECDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000367069475 556000654 /nfs/dbraw/zinc/00/06/54/556000654.db2.gz WKMQLTDGGVBCLC-ONTRVFCTSA-N 1 0 357.498 2.356 20 10 FECDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1O ZINC000367741700 556127336 /nfs/dbraw/zinc/12/73/36/556127336.db2.gz UYNJIVYOQCVBHP-AWEZNQCLSA-N 1 0 368.275 2.453 20 10 FECDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000367927793 556174268 /nfs/dbraw/zinc/17/42/68/556174268.db2.gz JWEQZMRWUVTHDN-DUXPYHPUSA-N 1 0 367.449 2.329 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000368200546 556247011 /nfs/dbraw/zinc/24/70/11/556247011.db2.gz PPOKOQKZKSYNAK-AWEZNQCLSA-N 1 0 363.477 2.334 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000368335653 556280590 /nfs/dbraw/zinc/28/05/90/556280590.db2.gz ZLCBJGDOYCHFCA-OAHLLOKOSA-N 1 0 361.486 2.138 20 10 FECDRO O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368619620 556365263 /nfs/dbraw/zinc/36/52/63/556365263.db2.gz QPYNJMGCDNCRRS-OLZOCXBDSA-N 1 0 374.268 2.361 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](OCC3CC3)C1)cc2=O ZINC000368792733 556414385 /nfs/dbraw/zinc/41/43/85/556414385.db2.gz QBEJLWWXGYTPQV-HNNXBMFYSA-N 1 0 374.441 2.003 20 10 FECDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368981002 556466620 /nfs/dbraw/zinc/46/66/20/556466620.db2.gz NZMVBIGYKKUGPQ-VQTJNVASSA-N 1 0 372.513 2.027 20 10 FECDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368981000 556466720 /nfs/dbraw/zinc/46/67/20/556466720.db2.gz NZMVBIGYKKUGPQ-PMACEKPBSA-N 1 0 372.513 2.027 20 10 FECDRO CCc1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000369433718 556599623 /nfs/dbraw/zinc/59/96/23/556599623.db2.gz CBFUHENNCKNIPV-NVXWUHKLSA-N 1 0 355.486 2.343 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@]3(CCCCO3)C1)cc2=O ZINC000369670088 556664171 /nfs/dbraw/zinc/66/41/71/556664171.db2.gz IWEVXIIKTIEQQP-LJQANCHMSA-N 1 0 374.441 2.147 20 10 FECDRO C[C@]1([C@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)NC(=O)NC1=O ZINC000372410658 557463952 /nfs/dbraw/zinc/46/39/52/557463952.db2.gz VBAQUNLUSYOMIL-VBKZILBWSA-N 1 0 353.422 2.356 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(c2cnccn2)CC1 ZINC000372487968 557483830 /nfs/dbraw/zinc/48/38/30/557483830.db2.gz VUYRAASJPDYPHZ-UHFFFAOYSA-N 1 0 367.497 2.414 20 10 FECDRO Cc1nccc(CN2CCC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)C2=O)n1 ZINC000373367732 557680252 /nfs/dbraw/zinc/68/02/52/557680252.db2.gz BBZSPGDJRPDVDL-IBGZPJMESA-N 1 0 353.470 2.132 20 10 FECDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000374258710 557853060 /nfs/dbraw/zinc/85/30/60/557853060.db2.gz WQEFXPAJHWTKPV-LEWJYISDSA-N 1 0 370.497 2.345 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC([C@H]3CCOC3)CC2)cc1 ZINC000374632813 557909613 /nfs/dbraw/zinc/90/96/13/557909613.db2.gz SPOWEJRLZVISMF-IBGZPJMESA-N 1 0 359.514 2.460 20 10 FECDRO O[C@H]1[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC12CCOCC2 ZINC000374685515 557916845 /nfs/dbraw/zinc/91/68/45/557916845.db2.gz DVBBPOQPVPAZKL-ICSRJNTNSA-N 1 0 360.498 2.181 20 10 FECDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000374847871 557940185 /nfs/dbraw/zinc/94/01/85/557940185.db2.gz TVYLLRFOXWAACQ-GFCCVEGCSA-N 1 0 358.398 2.182 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000378440243 558558084 /nfs/dbraw/zinc/55/80/84/558558084.db2.gz AQOMWJUTFFFGQW-HZPDHXFCSA-N 1 0 361.442 2.231 20 10 FECDRO O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000378541534 558578908 /nfs/dbraw/zinc/57/89/08/558578908.db2.gz WHBBSPRNNXGYNS-FNORWQNLSA-N 1 0 356.426 2.432 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000472280596 561023064 /nfs/dbraw/zinc/02/30/64/561023064.db2.gz AAFAXCVNMGFKAS-QGZVFWFLSA-N 1 0 372.513 2.379 20 10 FECDRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Cl)cc1O ZINC000527946469 562309162 /nfs/dbraw/zinc/30/91/62/562309162.db2.gz DSSZUXGZICWNCF-ACJLOTCBSA-N 1 0 354.878 2.312 20 10 FECDRO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000809785283 674510013 /nfs/dbraw/zinc/51/00/13/674510013.db2.gz UVHFKLXXSBAAMO-LBPRGKRZSA-N 1 0 358.891 2.339 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NOC/C=C\Cl)cc2F)CC1 ZINC000811985162 674645083 /nfs/dbraw/zinc/64/50/83/674645083.db2.gz ZOCFOUCWXFBJEE-UTCJRWHESA-N 1 0 370.856 2.451 20 10 FECDRO Fc1cc(C[NH+]2CCC(C3OCCO3)CC2)ccc1N1CCOCC1 ZINC000130082667 672070343 /nfs/dbraw/zinc/07/03/43/672070343.db2.gz LBSBQBPXQWVMDB-UHFFFAOYSA-N 1 0 350.434 2.247 20 10 FECDRO C[N@H+](CC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCSC1 ZINC000136585058 672139341 /nfs/dbraw/zinc/13/93/41/672139341.db2.gz OLYZFMZZUZLFDH-QGZVFWFLSA-N 1 0 365.568 2.293 20 10 FECDRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000185857349 672535734 /nfs/dbraw/zinc/53/57/34/672535734.db2.gz WTAQDYGHGJAKJR-UHFFFAOYSA-N 1 0 358.463 2.451 20 10 FECDRO C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+]1CC(C)(C)O ZINC000189318597 672613795 /nfs/dbraw/zinc/61/37/95/672613795.db2.gz VOVIMGNLEWGGMU-ZDUSSCGKSA-N 1 0 372.560 2.112 20 10 FECDRO CCOc1ccc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c(O)c1 ZINC000725849874 673094734 /nfs/dbraw/zinc/09/47/34/673094734.db2.gz ZBSHNZNNOWNAEK-HNNXBMFYSA-N 1 0 359.348 2.064 20 10 FECDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000733328852 673410037 /nfs/dbraw/zinc/41/00/37/673410037.db2.gz FOENTNKGJGSPDS-CYBMUJFWSA-N 1 0 355.460 2.108 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCCN2CCO)c1O ZINC000824583759 675612125 /nfs/dbraw/zinc/61/21/25/675612125.db2.gz QBGHQFFKKSKPEK-HNNXBMFYSA-N 1 0 357.292 2.400 20 10 FECDRO CCOc1cccc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000824739320 675619634 /nfs/dbraw/zinc/61/96/34/675619634.db2.gz YDBATXWLAQDYNN-UHFFFAOYSA-N 1 0 364.467 2.331 20 10 FECDRO COc1cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000824776214 675621525 /nfs/dbraw/zinc/62/15/25/675621525.db2.gz FQMHXIPYFFVMQL-ZDUSSCGKSA-N 1 0 370.515 2.199 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC000824832706 675624488 /nfs/dbraw/zinc/62/44/88/675624488.db2.gz ZJOMYYNJZVTUND-WCQYABFASA-N 1 0 358.360 2.243 20 10 FECDRO Cc1cc(O)c(C[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cc1Cl ZINC000825222577 675642555 /nfs/dbraw/zinc/64/25/55/675642555.db2.gz JVLJJUXTLSNBDX-UHFFFAOYSA-N 1 0 353.894 2.386 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000825406467 675651306 /nfs/dbraw/zinc/65/13/06/675651306.db2.gz SNYCDLZDQQQGKN-BBRMVZONSA-N 1 0 359.875 2.180 20 10 FECDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1cc(F)ccc1O)CO2 ZINC000827067322 675726781 /nfs/dbraw/zinc/72/67/81/675726781.db2.gz ZXBGQSPOGLZXLU-AWEZNQCLSA-N 1 0 352.406 2.399 20 10 FECDRO Oc1cc(Br)ccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000827549241 675764270 /nfs/dbraw/zinc/76/42/70/675764270.db2.gz FNTQTFQTZHOVIW-HNNXBMFYSA-N 1 0 355.276 2.498 20 10 FECDRO COc1c([O-])c(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000827555433 675764672 /nfs/dbraw/zinc/76/46/72/675764672.db2.gz UCSXJPGTMMITNA-LLVKDONJSA-N 1 0 351.403 2.046 20 10 FECDRO CCc1nn(C)cc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146561 680741535 /nfs/dbraw/zinc/74/15/35/680741535.db2.gz MBVQNQJARNLBCW-UHFFFAOYSA-N 1 0 350.413 2.387 20 10 FECDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840932347 680854494 /nfs/dbraw/zinc/85/44/94/680854494.db2.gz FCKXVMBZPNGCDX-UHFFFAOYSA-N 1 0 361.511 2.438 20 10 FECDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c(Cl)c1 ZINC000840946300 680855674 /nfs/dbraw/zinc/85/56/74/680855674.db2.gz NRUVPPFKQAOSJA-UHFFFAOYSA-N 1 0 365.905 2.340 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@@H](O)CSC[C@@H]3CCCO3)CC2)cc1 ZINC000754862276 680385171 /nfs/dbraw/zinc/38/51/71/680385171.db2.gz LMPQMHOWWNSNOS-MJGOQNOKSA-N 1 0 366.527 2.090 20 10 FECDRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(Br)cc1O ZINC000756405244 680477063 /nfs/dbraw/zinc/47/70/63/680477063.db2.gz YLSPDRXUMKEECP-SNVBAGLBSA-N 1 0 365.293 2.087 20 10 FECDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2OC)cc1 ZINC000758508207 680587999 /nfs/dbraw/zinc/58/79/99/680587999.db2.gz ULEASUUQKNJFPJ-UHFFFAOYSA-N 1 0 365.451 2.111 20 10 FECDRO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843626 680914517 /nfs/dbraw/zinc/91/45/17/680914517.db2.gz KSYXTVFAFCQRRF-STQMWFEESA-N 1 0 356.417 2.293 20 10 FECDRO Nc1ccc(Cc2nc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cs2)cc1 ZINC000841857156 680915069 /nfs/dbraw/zinc/91/50/69/680915069.db2.gz RERXXCANZCYQCJ-LBPRGKRZSA-N 1 0 358.389 2.326 20 10 FECDRO CC(C)[NH2+]CCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841934229 680917860 /nfs/dbraw/zinc/91/78/60/680917860.db2.gz SAVISZYZOKQVRL-UHFFFAOYSA-N 1 0 350.532 2.427 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000842479140 680949469 /nfs/dbraw/zinc/94/94/69/680949469.db2.gz XJEXQYYYQGTUBI-OAHLLOKOSA-N 1 0 363.849 2.136 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccc(N(C)C)cc1 ZINC000842699224 680960363 /nfs/dbraw/zinc/96/03/63/680960363.db2.gz JXSOSWYGPOKLDU-GFCCVEGCSA-N 1 0 351.447 2.390 20 10 FECDRO [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC12CCOCC2 ZINC000843125193 680989047 /nfs/dbraw/zinc/98/90/47/680989047.db2.gz NTWUSPHUWXKLIN-GFCCVEGCSA-N 1 0 355.822 2.141 20 10 FECDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)c(C)n1-c1ccc(Br)cn1 ZINC000843315587 680997731 /nfs/dbraw/zinc/99/77/31/680997731.db2.gz ZNPRCRHNSNPQJQ-ZDUSSCGKSA-N 1 0 363.259 2.343 20 10 FECDRO CS(=O)(=O)c1ccc(OCCN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843349793 680999364 /nfs/dbraw/zinc/99/93/64/680999364.db2.gz COTQMJQBLJEHMT-UHFFFAOYSA-N 1 0 360.479 2.380 20 10 FECDRO Cc1cc(C(=O)N[C@@H](C)C[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843470143 681005384 /nfs/dbraw/zinc/00/53/84/681005384.db2.gz SWWCJBKFQQRVAO-VIFPVBQESA-N 1 0 351.248 2.329 20 10 FECDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1C ZINC000771059385 681039779 /nfs/dbraw/zinc/03/97/79/681039779.db2.gz PXFTXHQXODLJFR-HNNXBMFYSA-N 1 0 362.861 2.482 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1O ZINC000844334991 681052543 /nfs/dbraw/zinc/05/25/43/681052543.db2.gz NSEVLPNNKXCORR-UHFFFAOYSA-N 1 0 350.434 2.060 20 10 FECDRO COc1cccc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1O ZINC000846155875 681191632 /nfs/dbraw/zinc/19/16/32/681191632.db2.gz INAAODLDZHPCQT-LBPRGKRZSA-N 1 0 370.496 2.434 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1O ZINC000846155872 681191655 /nfs/dbraw/zinc/19/16/55/681191655.db2.gz INAAODLDZHPCQT-GFCCVEGCSA-N 1 0 370.496 2.434 20 10 FECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000847696154 681418271 /nfs/dbraw/zinc/41/82/71/681418271.db2.gz MIHLPZWJPCGVEI-BBRMVZONSA-N 1 0 364.511 2.363 20 10 FECDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000777564828 681504133 /nfs/dbraw/zinc/50/41/33/681504133.db2.gz PTQAHBRGSQBKJC-GFCCVEGCSA-N 1 0 353.344 2.441 20 10 FECDRO CCc1cccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1O ZINC000848914926 681641798 /nfs/dbraw/zinc/64/17/98/681641798.db2.gz VLKREJNCNQITJC-UHFFFAOYSA-N 1 0 364.467 2.113 20 10 FECDRO CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H](O)C(F)(F)F ZINC000779193743 681687941 /nfs/dbraw/zinc/68/79/41/681687941.db2.gz SEHQEZKMROMZNU-OAHLLOKOSA-N 1 0 350.356 2.407 20 10 FECDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000850322797 681885745 /nfs/dbraw/zinc/88/57/45/681885745.db2.gz IJSZVFLYBBXYJI-FPMFFAJLSA-N 1 0 354.397 2.089 20 10 FECDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000850556653 681916912 /nfs/dbraw/zinc/91/69/12/681916912.db2.gz LFXZDWRMDCMYBM-CQSZACIVSA-N 1 0 370.490 2.280 20 10 FECDRO CCC(F)(F)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000854310530 682535689 /nfs/dbraw/zinc/53/56/89/682535689.db2.gz UUSOYSFSDUHPDJ-UHFFFAOYSA-N 1 0 355.429 2.369 20 10 FECDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000788622739 682543524 /nfs/dbraw/zinc/54/35/24/682543524.db2.gz HMGXGOXSXGKGFP-SUNYJGFJSA-N 1 0 354.878 2.367 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[NH+]2CCC1CC2 ZINC000790675302 682694666 /nfs/dbraw/zinc/69/46/66/682694666.db2.gz YXEAAFLGSJFRKS-UHFFFAOYSA-N 1 0 360.527 2.229 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCNC(=O)c2ccn[nH]2)c(C(F)(F)F)c1 ZINC000793066943 682861629 /nfs/dbraw/zinc/86/16/29/682861629.db2.gz NXRMRIWTEILCQX-UHFFFAOYSA-N 1 0 355.364 2.014 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)OC)c1O ZINC000858589179 682982487 /nfs/dbraw/zinc/98/24/87/682982487.db2.gz ZXTSJFWSFQHCDI-RKDXNWHRSA-N 1 0 361.236 2.222 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(Br)cc1O ZINC000927147524 683212180 /nfs/dbraw/zinc/21/21/80/683212180.db2.gz SNTOYHBLKLIDJR-MWLCHTKSSA-N 1 0 351.248 2.491 20 10 FECDRO CN(C)c1cc(F)c(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1F ZINC000862366054 683578135 /nfs/dbraw/zinc/57/81/35/683578135.db2.gz BQOQINCVRFNCGW-UHFFFAOYSA-N 1 0 354.489 2.489 20 10 FECDRO Fc1cc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)ccc1N1CCOCC1 ZINC000922524433 683740819 /nfs/dbraw/zinc/74/08/19/683740819.db2.gz KIQJBVZYRHSOCW-MJGOQNOKSA-N 1 0 365.518 2.332 20 10 FECDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000865706586 684017008 /nfs/dbraw/zinc/01/70/08/684017008.db2.gz XGUSRUAVTILARA-UHFFFAOYSA-N 1 0 367.540 2.413 20 10 FECDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@@H]21 ZINC000870982231 684777464 /nfs/dbraw/zinc/77/74/64/684777464.db2.gz MABOKEGZLZYEIK-YOEHRIQHSA-N 1 0 356.495 2.482 20 10 FECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)CC1(O)CCOCC1 ZINC000871975717 684900954 /nfs/dbraw/zinc/90/09/54/684900954.db2.gz YZWCQQLKIUEZBX-LJQANCHMSA-N 1 0 350.503 2.256 20 10 FECDRO O=C1CC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCN1 ZINC000873049330 685059731 /nfs/dbraw/zinc/05/97/31/685059731.db2.gz GBQQRFVQNFLEGX-CVEARBPZSA-N 1 0 351.878 2.268 20 10 FECDRO COc1ccc(C[NH2+]C[C@@]2(N(C)C)CCSC2)cc1Cn1cccn1 ZINC000873070243 685063999 /nfs/dbraw/zinc/06/39/99/685063999.db2.gz QUODTELEKNANEA-IBGZPJMESA-N 1 0 360.527 2.467 20 10 FECDRO COc1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1Cn1cccn1 ZINC000873132475 685078405 /nfs/dbraw/zinc/07/84/05/685078405.db2.gz VCYFEUHRIISHPK-INIZCTEOSA-N 1 0 350.413 2.369 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(P(C)(C)=O)cc2)cc1 ZINC000911668235 685241259 /nfs/dbraw/zinc/24/12/59/685241259.db2.gz WVWBZUWNNQDCBJ-SFHVURJKSA-N 1 0 359.410 2.430 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000911666486 685241477 /nfs/dbraw/zinc/24/14/77/685241477.db2.gz ILMLWTHDBJUBBB-RBSFLKMASA-N 1 0 359.392 2.369 20 10 FECDRO CCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000876537991 686216119 /nfs/dbraw/zinc/21/61/19/686216119.db2.gz JCVKIDDDRSCLMP-GOSISDBHSA-N 1 0 366.527 2.047 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876699417 686246461 /nfs/dbraw/zinc/24/64/61/686246461.db2.gz YJYPLHAYWZSFGM-IINYFYTJSA-N 1 0 359.239 2.451 20 10 FECDRO COc1cc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)sn1 ZINC000877145263 686331876 /nfs/dbraw/zinc/33/18/76/686331876.db2.gz FSZOAKFQBXYKFG-AWEZNQCLSA-N 1 0 360.483 2.143 20 10 FECDRO CCCN(Cc1ccc(S(N)(=O)=O)cc1F)c1ccc(C[NH3+])cc1 ZINC000877477751 686386217 /nfs/dbraw/zinc/38/62/17/686386217.db2.gz GTCGRHHSWGJKNW-UHFFFAOYSA-N 1 0 351.447 2.348 20 10 FECDRO COc1cc(N2CC[NH+](C[C@@H]3CCO[C@H]3C)CC2)cc(OC)c1OC ZINC000878430287 686583757 /nfs/dbraw/zinc/58/37/57/686583757.db2.gz BNYZOFSFFGYFTK-GJZGRUSLSA-N 1 0 350.459 2.259 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@H](O)CCOC(C)C)CC2)c(OC)c1 ZINC000879462234 686827042 /nfs/dbraw/zinc/82/70/42/686827042.db2.gz LQGICFWURZXHCG-MRXNPFEDSA-N 1 0 352.475 2.002 20 10 FECDRO Cc1nc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)s1 ZINC000881851397 687234276 /nfs/dbraw/zinc/23/42/76/687234276.db2.gz TVLYGQDMWLCCMX-UHFFFAOYSA-N 1 0 358.511 2.371 20 10 FECDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)C(F)(F)F ZINC000883366464 687615512 /nfs/dbraw/zinc/61/55/12/687615512.db2.gz UDTNBYFZBKIFAH-CYBMUJFWSA-N 1 0 354.319 2.171 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891368240 689055011 /nfs/dbraw/zinc/05/50/11/689055011.db2.gz ASXILBUSEGDANL-PKOBYXMFSA-N 1 0 360.527 2.324 20 10 FECDRO [NH3+]CC12CCC(CC1)N2C(=O)NCc1cc(Br)ccc1O ZINC000892457882 689198987 /nfs/dbraw/zinc/19/89/87/689198987.db2.gz QLHQHUGFVHJZBA-UHFFFAOYSA-N 1 0 354.248 2.320 20 10 FECDRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F ZINC000894208790 689487134 /nfs/dbraw/zinc/48/71/34/689487134.db2.gz LNSJKAUMTBNFKD-MAZHCROVSA-N 1 0 354.397 2.228 20 10 FECDRO COC(=O)c1c(C[NH2+][C@@H](C)[C@H](CO)SC)c2cc(F)ccc2n1C ZINC000894279813 689499591 /nfs/dbraw/zinc/49/95/91/689499591.db2.gz AJVRPEKXTWROQY-BONVTDFDSA-N 1 0 354.447 2.306 20 10 FECDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc(OC)c(OC)c1O)C(F)(F)F ZINC000895720557 689762002 /nfs/dbraw/zinc/76/20/02/689762002.db2.gz XYMRDMRUBFSSAV-ZPIQOJFGSA-N 1 0 365.348 2.343 20 10 FECDRO CC[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cc(Cl)ccc1O ZINC000903226862 690870008 /nfs/dbraw/zinc/87/00/08/690870008.db2.gz PWEHGNZKVUQNHG-LBPRGKRZSA-N 1 0 368.908 2.144 20 10 FECDRO CO[C@@]1(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CCS(=O)(=O)C1 ZINC000903365390 690886659 /nfs/dbraw/zinc/88/66/59/690886659.db2.gz MUQQKWBYUSLSQJ-SCLBCKFNSA-N 1 0 353.484 2.125 20 10 FECDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000076774272 542321250 /nfs/dbraw/zinc/32/12/50/542321250.db2.gz QADVVLBWAVNZLX-KRWDZBQOSA-N 1 0 360.502 2.053 20 10 FECDRO CCn1ccnc(NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c1=O ZINC000091010744 542790147 /nfs/dbraw/zinc/79/01/47/542790147.db2.gz TUOZHSKQIQHMOM-UHFFFAOYSA-N 1 0 359.449 2.156 20 10 FECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093613643 542936531 /nfs/dbraw/zinc/93/65/31/542936531.db2.gz LYNHQVCQFKCGGR-WOJBJXKFSA-N 1 0 360.498 2.275 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCCOC)cc2F)CC1 ZINC000106531677 543234352 /nfs/dbraw/zinc/23/43/52/543234352.db2.gz SBVQLAPBEBAKGU-UHFFFAOYSA-N 1 0 366.481 2.193 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3nc(C)cc3C)cc2F)CC1 ZINC000106702494 543243412 /nfs/dbraw/zinc/24/34/12/543243412.db2.gz SOYIKCLEWXPTMA-UHFFFAOYSA-N 1 0 373.476 2.097 20 10 FECDRO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000117948292 543642640 /nfs/dbraw/zinc/64/26/40/543642640.db2.gz QHKXDVBXZWKNTM-UHFFFAOYSA-N 1 0 360.479 2.476 20 10 FECDRO C[NH+](C)CCNC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000133526195 544273488 /nfs/dbraw/zinc/27/34/88/544273488.db2.gz IIVNVGIXPOTONJ-UHFFFAOYSA-N 1 0 374.407 2.415 20 10 FECDRO CC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000806171168 674369738 /nfs/dbraw/zinc/36/97/38/674369738.db2.gz VVUDJNAJXRORRB-AEFFLSMTSA-N 1 0 368.547 2.064 20 10 FECDRO C[NH+](C)C1CCN(CCNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000179305116 546928976 /nfs/dbraw/zinc/92/89/76/546928976.db2.gz NAGWKONOUJGUMS-UHFFFAOYSA-N 1 0 374.529 2.096 20 10 FECDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000180610051 547141062 /nfs/dbraw/zinc/14/10/62/547141062.db2.gz FNWBWJISKOLXRK-RDJZCZTQSA-N 1 0 369.513 2.467 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000182346676 547475948 /nfs/dbraw/zinc/47/59/48/547475948.db2.gz YYNRFSOYRMIIJY-MAUKXSAKSA-N 1 0 356.466 2.471 20 10 FECDRO COc1cc(N2CC[NH+](CCc3ccncc3)CC2)cc(OC)c1OC ZINC000183698490 547703644 /nfs/dbraw/zinc/70/36/44/547703644.db2.gz AISSGYHLPWAWKI-UHFFFAOYSA-N 1 0 357.454 2.472 20 10 FECDRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cc(F)ccc1O ZINC000185161508 547944185 /nfs/dbraw/zinc/94/41/85/547944185.db2.gz PAKCHIMVQHTGNK-CYBMUJFWSA-N 1 0 352.431 2.302 20 10 FECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(O)c1 ZINC000186159008 548092678 /nfs/dbraw/zinc/09/26/78/548092678.db2.gz RXMIMLQDRVOZQU-CHWSQXEVSA-N 1 0 355.481 2.248 20 10 FECDRO O=C1[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1Cc1ccc(F)cc1 ZINC000191758593 548350181 /nfs/dbraw/zinc/35/01/81/548350181.db2.gz CTMOWCQWODEBAB-HNNXBMFYSA-N 1 0 358.369 2.151 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246503721 549148887 /nfs/dbraw/zinc/14/88/87/549148887.db2.gz HVGDNNVRYWKKCO-GHTZIAJQSA-N 1 0 370.541 2.318 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H](C)OC)cc2F)CC1 ZINC000264351270 549994711 /nfs/dbraw/zinc/99/47/11/549994711.db2.gz MCRUXMVYPDIEFK-HNNXBMFYSA-N 1 0 366.481 2.192 20 10 FECDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2C)cc1 ZINC000264704611 550000228 /nfs/dbraw/zinc/00/02/28/550000228.db2.gz DOFSSIZQEUMDSD-GOSISDBHSA-N 1 0 370.497 2.078 20 10 FECDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(OC)c1O ZINC000266155339 550017877 /nfs/dbraw/zinc/01/78/77/550017877.db2.gz LUBLNVLWIFTWEC-KRWDZBQOSA-N 1 0 353.422 2.329 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCS3)cc2F)CC1 ZINC000266429749 550020324 /nfs/dbraw/zinc/02/03/24/550020324.db2.gz IHXPAIQDFNUVEH-QGZVFWFLSA-N 1 0 351.491 2.479 20 10 FECDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000267292866 550029261 /nfs/dbraw/zinc/02/92/61/550029261.db2.gz CRBOCTDCTZTPKH-IEBWSBKVSA-N 1 0 360.502 2.195 20 10 FECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1O ZINC000271136153 550343913 /nfs/dbraw/zinc/34/39/13/550343913.db2.gz MRKPFHVBQNZHHX-ZBFHGGJFSA-N 1 0 350.459 2.154 20 10 FECDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1OC ZINC000271891956 550409215 /nfs/dbraw/zinc/40/92/15/550409215.db2.gz XHAOSQPQSQYRHN-CXAGYDPISA-N 1 0 357.472 2.197 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCO[C@H](C)C3)cc2F)CC1 ZINC000271986401 550414682 /nfs/dbraw/zinc/41/46/82/550414682.db2.gz PIYLDBQELVYCQP-WBVHZDCISA-N 1 0 363.477 2.399 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000271983970 550414953 /nfs/dbraw/zinc/41/49/53/550414953.db2.gz KBKFYNFGCVWWCR-PKOBYXMFSA-N 1 0 366.527 2.359 20 10 FECDRO O=C1CCN(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000273013531 550480762 /nfs/dbraw/zinc/48/07/62/550480762.db2.gz BJPMMJBWAOGTFH-AWEZNQCLSA-N 1 0 353.413 2.469 20 10 FECDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc2c(cc1O)CCCC2 ZINC000273582426 550504074 /nfs/dbraw/zinc/50/40/74/550504074.db2.gz MYFOITIWUYSPEV-HNNXBMFYSA-N 1 0 359.514 2.474 20 10 FECDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273585280 550504394 /nfs/dbraw/zinc/50/43/94/550504394.db2.gz NSOZJSHHMIXVSJ-CVEARBPZSA-N 1 0 363.502 2.103 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284350610 551530505 /nfs/dbraw/zinc/53/05/05/551530505.db2.gz QBWDIEHJGRLYBN-ZWKOTPCHSA-N 1 0 373.497 2.264 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@](O)(c3cn(C(C)C)nn3)C2)c(O)c1 ZINC000285521209 551769217 /nfs/dbraw/zinc/76/92/17/551769217.db2.gz OKIOWUXGHGOXDC-LJQANCHMSA-N 1 0 360.458 2.447 20 10 FECDRO Cc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(C)n1-c1ccccc1 ZINC000286240929 551864764 /nfs/dbraw/zinc/86/47/64/551864764.db2.gz UTRFEGNIHQZLAF-IBGZPJMESA-N 1 0 352.482 2.214 20 10 FECDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)N(C)Cc4ccc(N(C)C)cc4)[C@H]1[C@H]3C2 ZINC000286569068 551901116 /nfs/dbraw/zinc/90/11/16/551901116.db2.gz PNWSAZCRQZQITH-AJPPRCLOSA-N 1 0 357.498 2.066 20 10 FECDRO COc1cc(N2CC[NH+](CCOC3CCC3)CC2)cc(OC)c1OC ZINC000287956920 552067857 /nfs/dbraw/zinc/06/78/57/552067857.db2.gz YMKCHNQNTOGGPS-UHFFFAOYSA-N 1 0 350.459 2.404 20 10 FECDRO Oc1cc2c(cc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1)OCO2 ZINC000288447648 552155281 /nfs/dbraw/zinc/15/52/81/552155281.db2.gz MRKAWNGJZWRRHU-ZDUSSCGKSA-N 1 0 358.394 2.221 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000290649835 552512802 /nfs/dbraw/zinc/51/28/02/552512802.db2.gz ZASWMVZWTUNSES-NSHDSACASA-N 1 0 362.289 2.378 20 10 FECDRO Oc1ccccc1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1CCCO1 ZINC000293013111 552780416 /nfs/dbraw/zinc/78/04/16/552780416.db2.gz UPMXMQBXOURLDM-HUUCEWRRSA-N 1 0 363.376 2.313 20 10 FECDRO C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2F)C[C@H](C)O1 ZINC000294130751 552884383 /nfs/dbraw/zinc/88/43/83/552884383.db2.gz PTUPUXRWDNKGKP-XJNFMUPTSA-N 1 0 363.477 2.431 20 10 FECDRO Cc1cc(C(=O)Nc2ccnn2CC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000294171127 552887268 /nfs/dbraw/zinc/88/72/68/552887268.db2.gz SONIDWMRQKVQBU-UHFFFAOYSA-N 1 0 352.442 2.500 20 10 FECDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000299538432 553578003 /nfs/dbraw/zinc/57/80/03/553578003.db2.gz OPHCESQCORLFRQ-MRXNPFEDSA-N 1 0 371.403 2.252 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363637029 555152404 /nfs/dbraw/zinc/15/24/04/555152404.db2.gz IRBJNSPJADJOMU-ZGBFETHSSA-N 1 0 355.482 2.233 20 10 FECDRO COc1cc(Br)cc(CN2CCC[N@@H+]([C@H](C)CO)CC2)c1O ZINC000364921581 555438242 /nfs/dbraw/zinc/43/82/42/555438242.db2.gz KHXCCPCBNGGTGU-GFCCVEGCSA-N 1 0 373.291 2.052 20 10 FECDRO C[NH+](C)C/C=C/C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000365396303 555563980 /nfs/dbraw/zinc/56/39/80/555563980.db2.gz CKSLZWQCDOJDBB-ONEGZZNKSA-N 1 0 353.413 2.491 20 10 FECDRO Cc1nnc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000365990890 555719651 /nfs/dbraw/zinc/71/96/51/555719651.db2.gz BRMFAIUDMRRNKA-AWEZNQCLSA-N 1 0 364.833 2.060 20 10 FECDRO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366323465 555812302 /nfs/dbraw/zinc/81/23/02/555812302.db2.gz MBEDUMQPTYOUSQ-QWHCGFSZSA-N 1 0 359.392 2.383 20 10 FECDRO O=C(CC[NH2+]Cc1cc2c(cc1O)OCO2)N1CCOc2ccccc2C1 ZINC000369228086 556541956 /nfs/dbraw/zinc/54/19/56/556541956.db2.gz CYOKULVAHIRNKZ-UHFFFAOYSA-N 1 0 370.405 2.022 20 10 FECDRO Cc1cc(O)c(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)cc1C ZINC000371089198 557071914 /nfs/dbraw/zinc/07/19/14/557071914.db2.gz PQUXSDAHQXUEGO-UHFFFAOYSA-N 1 0 352.500 2.445 20 10 FECDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372081583 557375543 /nfs/dbraw/zinc/37/55/43/557375543.db2.gz OHZOURMOFSYEAE-SFTDATJTSA-N 1 0 357.498 2.499 20 10 FECDRO CCOc1cccc(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1O ZINC000372413871 557464697 /nfs/dbraw/zinc/46/46/97/557464697.db2.gz ROCGIURROQQGJZ-UHFFFAOYSA-N 1 0 362.470 2.252 20 10 FECDRO Cc1cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(C)n1-c1ccccn1 ZINC000372712513 557544714 /nfs/dbraw/zinc/54/47/14/557544714.db2.gz HPJXKNMXDKPCOM-INIZCTEOSA-N 1 0 356.470 2.018 20 10 FECDRO CN(C)c1ccc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000373121124 557633270 /nfs/dbraw/zinc/63/32/70/557633270.db2.gz BBIAVFWMNYMJBS-UHFFFAOYSA-N 1 0 354.410 2.222 20 10 FECDRO CCc1noc([C@H]2C[C@H](O)CN2Cc2cc(Cl)cc(OC)c2O)n1 ZINC000373482293 557701899 /nfs/dbraw/zinc/70/18/99/557701899.db2.gz GMLSNTLOIXXZMP-NWDGAFQWSA-N 1 0 353.806 2.308 20 10 FECDRO COc1cccc(CN2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1O ZINC000374699775 557918579 /nfs/dbraw/zinc/91/85/79/557918579.db2.gz MCICDLAVCDJNPC-INIZCTEOSA-N 1 0 367.405 2.054 20 10 FECDRO C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000375835209 558087005 /nfs/dbraw/zinc/08/70/05/558087005.db2.gz RYQWUXJWZKEELH-TZMCWYRMSA-N 1 0 353.413 2.229 20 10 FECDRO COc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N2CCOCC2)c1O ZINC000377691199 558398136 /nfs/dbraw/zinc/39/81/36/558398136.db2.gz FCFVCFQREJLQET-INIZCTEOSA-N 1 0 364.442 2.224 20 10 FECDRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000377863314 558437176 /nfs/dbraw/zinc/43/71/76/558437176.db2.gz FIICMCQCGWYHRF-HNNXBMFYSA-N 1 0 350.415 2.084 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000471613530 561008798 /nfs/dbraw/zinc/00/87/98/561008798.db2.gz QVZUXGXBBNWAAT-UHFFFAOYSA-N 1 0 371.529 2.312 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000471930573 561014561 /nfs/dbraw/zinc/01/45/61/561014561.db2.gz IRWAHTFWWLSIBD-UHFFFAOYSA-N 1 0 358.486 2.397 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1O ZINC000528642831 562340125 /nfs/dbraw/zinc/34/01/25/562340125.db2.gz WSSUKEWFMAIBRE-MRXNPFEDSA-N 1 0 351.418 2.487 20 10 FECDRO Oc1ccccc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738400870 598275737 /nfs/dbraw/zinc/27/57/37/598275737.db2.gz MPTXRMHAVVFTMD-UHFFFAOYSA-N 1 0 350.426 2.331 20 10 FECDRO CSC1(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1 ZINC000811480282 674607715 /nfs/dbraw/zinc/60/77/15/674607715.db2.gz SKMABAATGQMCKK-UHFFFAOYSA-N 1 0 354.541 2.297 20 10 FECDRO COc1cc(Br)cc(C[NH+]2CCC(NC(C)=O)CC2)c1O ZINC000092669295 670743633 /nfs/dbraw/zinc/74/36/33/670743633.db2.gz AEUKNFMVOFDCNE-UHFFFAOYSA-N 1 0 357.248 2.264 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCS[C@H](C)[C@H]3C)CC2)cc1 ZINC000112643890 670874422 /nfs/dbraw/zinc/87/44/22/670874422.db2.gz QSCQTUCPGOTZEF-HZPDHXFCSA-N 1 0 363.527 2.170 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)COC1CC[NH2+]CC1 ZINC000817959213 675188081 /nfs/dbraw/zinc/18/80/81/675188081.db2.gz QPQMSYYPKFBXRQ-UHFFFAOYSA-N 1 0 371.275 2.272 20 10 FECDRO CC[C@@H](SC)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000125450035 672011971 /nfs/dbraw/zinc/01/19/71/672011971.db2.gz NZEWFFYJRORQPG-GOSISDBHSA-N 1 0 365.543 2.465 20 10 FECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000130206138 672072592 /nfs/dbraw/zinc/07/25/92/672072592.db2.gz GENPZVFGSBPTSL-OAHLLOKOSA-N 1 0 353.532 2.465 20 10 FECDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151462416 672163532 /nfs/dbraw/zinc/16/35/32/672163532.db2.gz WFJQSMPUXBHAKC-DOTOQJQBSA-N 1 0 354.466 2.346 20 10 FECDRO COc1ccc2ccc(O)c(C[N@@H+]3CCN(S(C)(=O)=O)[C@@H](C)C3)c2c1 ZINC000182964000 672457080 /nfs/dbraw/zinc/45/70/80/672457080.db2.gz MANSHXAPGSXULJ-ZDUSSCGKSA-N 1 0 364.467 2.020 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCS[C@H](C)CC3)CC2)cc1 ZINC000192179160 672684307 /nfs/dbraw/zinc/68/43/07/672684307.db2.gz ACAIRQJIFMTYDR-MRXNPFEDSA-N 1 0 363.527 2.171 20 10 FECDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)CS(C)(=O)=O ZINC000723875351 673087143 /nfs/dbraw/zinc/08/71/43/673087143.db2.gz XKRADHYZQTXMNQ-UHFFFAOYSA-N 1 0 350.278 2.315 20 10 FECDRO CS(=O)(=O)CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000729680609 673243369 /nfs/dbraw/zinc/24/33/69/673243369.db2.gz FNNDHYWOFVJULW-UHFFFAOYSA-N 1 0 355.460 2.109 20 10 FECDRO C[N@H+](CCN1CCN(C(=O)C2=CC(=O)CS2)CC1)Cc1ccccc1 ZINC000732286743 673361866 /nfs/dbraw/zinc/36/18/66/673361866.db2.gz ISHHXELLIXMGJW-UHFFFAOYSA-N 1 0 359.495 2.344 20 10 FECDRO C[C@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)S(C)(=O)=O ZINC000819001931 675251564 /nfs/dbraw/zinc/25/15/64/675251564.db2.gz HBIHXLHGVRKSSO-GFCCVEGCSA-N 1 0 362.442 2.280 20 10 FECDRO CCS(=O)(=O)CC[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120083 675262564 /nfs/dbraw/zinc/26/25/64/675262564.db2.gz KHRFRSGEDPEKSW-CYBMUJFWSA-N 1 0 362.442 2.281 20 10 FECDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCOCC1 ZINC000824897202 675627649 /nfs/dbraw/zinc/62/76/49/675627649.db2.gz QQOBHPIPLYSVDY-UHFFFAOYSA-N 1 0 366.527 2.360 20 10 FECDRO Cc1cc(O)c(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1Cl ZINC000824905776 675628416 /nfs/dbraw/zinc/62/84/16/675628416.db2.gz COTCQAUSXNFJJN-MRXNPFEDSA-N 1 0 351.878 2.092 20 10 FECDRO CCCNC(=O)CN1CCC([NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825107828 675637250 /nfs/dbraw/zinc/63/72/50/675637250.db2.gz NBJCOKZLNHKXDU-UHFFFAOYSA-N 1 0 353.894 2.434 20 10 FECDRO Cc1cc(O)c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1Cl ZINC000826097334 675681806 /nfs/dbraw/zinc/68/18/06/675681806.db2.gz YUDPSLXHDPTCKH-HNNXBMFYSA-N 1 0 351.878 2.140 20 10 FECDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827457812 675757436 /nfs/dbraw/zinc/75/74/36/675757436.db2.gz IHJQIMGOKRHPDX-HUUCEWRRSA-N 1 0 358.873 2.476 20 10 FECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000840876881 680848753 /nfs/dbraw/zinc/84/87/53/680848753.db2.gz QFTHPSOYBLUSAD-UHFFFAOYSA-N 1 0 353.875 2.343 20 10 FECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071500 680861880 /nfs/dbraw/zinc/86/18/80/680861880.db2.gz YZHSKUMQPJDWFB-LBPRGKRZSA-N 1 0 355.763 2.110 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000835054024 680291354 /nfs/dbraw/zinc/29/13/54/680291354.db2.gz QWYWJHJAYFBPHH-XZJTZLQGSA-N 1 0 365.543 2.463 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000753732059 680311559 /nfs/dbraw/zinc/31/15/59/680311559.db2.gz OJSVREMFOWJCGZ-ZBFHGGJFSA-N 1 0 370.490 2.280 20 10 FECDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754723366 680373225 /nfs/dbraw/zinc/37/32/25/680373225.db2.gz QZHVVRXSBFZMLQ-CABCVRRESA-N 1 0 350.459 2.072 20 10 FECDRO C[C@@]1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCC[NH2+]C1 ZINC000841706163 680908104 /nfs/dbraw/zinc/90/81/04/680908104.db2.gz CMOXRYRIXBCBJW-LJQANCHMSA-N 1 0 362.543 2.429 20 10 FECDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H]1C[NH3+] ZINC000841707547 680908274 /nfs/dbraw/zinc/90/82/74/680908274.db2.gz VNDIBNNYMSQTGM-NVXWUHKLSA-N 1 0 362.543 2.366 20 10 FECDRO C[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H]1C[NH3+] ZINC000841707549 680908369 /nfs/dbraw/zinc/90/83/69/680908369.db2.gz VNDIBNNYMSQTGM-RDJZCZTQSA-N 1 0 362.543 2.366 20 10 FECDRO C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841755185 680910550 /nfs/dbraw/zinc/91/05/50/680910550.db2.gz HICFVOPMGMSGKI-HNNXBMFYSA-N 1 0 367.921 2.493 20 10 FECDRO [NH3+]C/C=C/CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841779271 680911706 /nfs/dbraw/zinc/91/17/06/680911706.db2.gz PKZIMZIRKDRQDD-OWOJBTEDSA-N 1 0 354.401 2.071 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000842785305 680966289 /nfs/dbraw/zinc/96/62/89/680966289.db2.gz GVWATRVUAJVEDQ-MRXNPFEDSA-N 1 0 353.875 2.384 20 10 FECDRO COc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000842785128 680966332 /nfs/dbraw/zinc/96/63/32/680966332.db2.gz PJWRXPREPTYOIK-QGZVFWFLSA-N 1 0 363.483 2.048 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000842784939 680966336 /nfs/dbraw/zinc/96/63/36/680966336.db2.gz DEHOMRSPTPCDOF-MRXNPFEDSA-N 1 0 355.410 2.009 20 10 FECDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000842785884 680966466 /nfs/dbraw/zinc/96/64/66/680966466.db2.gz WWORPVCSSCWQJT-QGZVFWFLSA-N 1 0 351.447 2.178 20 10 FECDRO C[C@H](C[NH3+])NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843462467 681004969 /nfs/dbraw/zinc/00/49/69/681004969.db2.gz GNIPTXSFRMCSKY-ZDIKFAODSA-N 1 0 369.537 2.193 20 10 FECDRO O=CN1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000774193114 681172307 /nfs/dbraw/zinc/17/23/07/681172307.db2.gz SUAJOFWRAOTCMC-QGZVFWFLSA-N 1 0 351.878 2.220 20 10 FECDRO COc1cccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c1O ZINC000846141444 681188658 /nfs/dbraw/zinc/18/86/58/681188658.db2.gz IZIHVJHUGNTGMH-AWEZNQCLSA-N 1 0 364.467 2.338 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000846182203 681196795 /nfs/dbraw/zinc/19/67/95/681196795.db2.gz AIMYHOCSTGJFFM-NVXWUHKLSA-N 1 0 351.516 2.361 20 10 FECDRO C[NH+]1CCN(c2cccc(C(=O)NCc3cc(Cl)ccc3O)n2)CC1 ZINC000846472858 681246391 /nfs/dbraw/zinc/24/63/91/681246391.db2.gz GGHOBXFCAOSAGG-UHFFFAOYSA-N 1 0 360.845 2.122 20 10 FECDRO COCC[C@@]1([NH2+]Cc2cc(Br)cc(OC)c2O)CCOC1 ZINC000775031683 681269459 /nfs/dbraw/zinc/26/94/59/681269459.db2.gz DMMXXJQERGYHEA-OAHLLOKOSA-N 1 0 360.248 2.449 20 10 FECDRO COCC[N@H+](CCC(=O)OC)Cc1cc(Br)cc(C)c1O ZINC000775699529 681325390 /nfs/dbraw/zinc/32/53/90/681325390.db2.gz GJLBLMIIHHOOFL-UHFFFAOYSA-N 1 0 360.248 2.475 20 10 FECDRO COc1cc(O)c(C[NH2+]CC(C)(C)N2CCC(OC)CC2)cc1OC ZINC000776177502 681369922 /nfs/dbraw/zinc/36/99/22/681369922.db2.gz QGIGBYVUIGONKM-UHFFFAOYSA-N 1 0 352.475 2.388 20 10 FECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000850322798 681885434 /nfs/dbraw/zinc/88/54/34/681885434.db2.gz IJSZVFLYBBXYJI-IACUBPJLSA-N 1 0 354.397 2.089 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H](C)S(=O)(=O)C3)CC2)cc1 ZINC000850369470 681894266 /nfs/dbraw/zinc/89/42/66/681894266.db2.gz KPSUSIQKJGVGFR-GOEBONIOSA-N 1 0 352.500 2.219 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C3CCS(=O)(=O)CC3)C2)cc1 ZINC000850489196 681907145 /nfs/dbraw/zinc/90/71/45/681907145.db2.gz RWKWMXYGHSUAEA-ZBFHGGJFSA-N 1 0 352.500 2.077 20 10 FECDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566193 681917420 /nfs/dbraw/zinc/91/74/20/681917420.db2.gz LMHNLAAUHSDGFB-RTBURBONSA-N 1 0 366.527 2.093 20 10 FECDRO Cc1c(CO)cc([N+](=O)[O-])c(N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000782425643 682041561 /nfs/dbraw/zinc/04/15/61/682041561.db2.gz MSIGKCVDAPOLEE-UHFFFAOYSA-N 1 0 352.391 2.224 20 10 FECDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000785467010 682299472 /nfs/dbraw/zinc/29/94/72/682299472.db2.gz TVPJKEOEJZWGOO-UHFFFAOYSA-N 1 0 363.458 2.054 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1 ZINC000794462526 682970931 /nfs/dbraw/zinc/97/09/31/682970931.db2.gz REAVNLRLYQUVLK-STQMWFEESA-N 1 0 354.447 2.327 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O ZINC000858488961 682972393 /nfs/dbraw/zinc/97/23/93/682972393.db2.gz OTYBOTBVWQEAAS-YPMHNXCESA-N 1 0 358.833 2.413 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H]2CNC(=O)C2)c1O ZINC000926975900 683192604 /nfs/dbraw/zinc/19/26/04/683192604.db2.gz BHFFHSOUICCZDV-NXEZZACHSA-N 1 0 357.248 2.340 20 10 FECDRO C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000861595563 683440634 /nfs/dbraw/zinc/44/06/34/683440634.db2.gz DDRCJTQWGCPRQU-OLZOCXBDSA-N 1 0 356.417 2.245 20 10 FECDRO COCCNC(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862215235 683551509 /nfs/dbraw/zinc/55/15/09/683551509.db2.gz GBHLGUNVWSTWKX-UHFFFAOYSA-N 1 0 371.275 2.129 20 10 FECDRO OCc1cn([C@@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)nn1 ZINC000862377656 683580194 /nfs/dbraw/zinc/58/01/94/683580194.db2.gz KBJLGLRHCMFUIB-GFCCVEGCSA-N 1 0 367.247 2.076 20 10 FECDRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000922494912 683735396 /nfs/dbraw/zinc/73/53/96/683735396.db2.gz ATOKKYUDAQNAJB-UHFFFAOYSA-N 1 0 363.723 2.160 20 10 FECDRO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(Br)ccc1O ZINC000866519452 684114683 /nfs/dbraw/zinc/11/46/83/684114683.db2.gz BGMXVKPVERHKNR-ZUZCIYMTSA-N 1 0 371.231 2.027 20 10 FECDRO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Br)ccc1O ZINC000866519449 684114793 /nfs/dbraw/zinc/11/47/93/684114793.db2.gz BGMXVKPVERHKNR-BMIGLBTASA-N 1 0 371.231 2.027 20 10 FECDRO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(Br)cc1O ZINC000866521068 684115066 /nfs/dbraw/zinc/11/50/66/684115066.db2.gz KQVMLQSPOXOTEL-BONVTDFDSA-N 1 0 371.231 2.027 20 10 FECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000925153693 684530804 /nfs/dbraw/zinc/53/08/04/684530804.db2.gz ZRRPFMVBDCTOHX-VBNZEHGJSA-N 1 0 365.499 2.341 20 10 FECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000925153689 684530811 /nfs/dbraw/zinc/53/08/11/684530811.db2.gz ZRRPFMVBDCTOHX-MAZHCROVSA-N 1 0 365.499 2.341 20 10 FECDRO CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000877145109 686332217 /nfs/dbraw/zinc/33/22/17/686332217.db2.gz DDKIUMJCCXUHIL-QGZVFWFLSA-N 1 0 356.495 2.482 20 10 FECDRO O=[S@](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC(F)(F)F ZINC000877622443 686424393 /nfs/dbraw/zinc/42/43/93/686424393.db2.gz NMRCZAWSFMICAL-XMMPIXPASA-N 1 0 364.433 2.048 20 10 FECDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000879648229 686879662 /nfs/dbraw/zinc/87/96/62/686879662.db2.gz FUXNGUMIHICVKZ-CHWSQXEVSA-N 1 0 362.451 2.474 20 10 FECDRO Cc1cc(C(=O)Cn2cc(CC[NH3+])nn2)c(C)n1-c1ccc(Cl)cn1 ZINC000881351722 687126652 /nfs/dbraw/zinc/12/66/52/687126652.db2.gz XKSATLNCJRUSRS-UHFFFAOYSA-N 1 0 358.833 2.118 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC000883526919 687659270 /nfs/dbraw/zinc/65/92/70/687659270.db2.gz DTBZPLZWPIVPGQ-OAHLLOKOSA-N 1 0 352.429 2.425 20 10 FECDRO CC[C@@H](CSC)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883591499 687675924 /nfs/dbraw/zinc/67/59/24/687675924.db2.gz FQXPDGLXDCFXOI-INIZCTEOSA-N 1 0 350.532 2.379 20 10 FECDRO C[C@H]1CSCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889665249 688804240 /nfs/dbraw/zinc/80/42/40/688804240.db2.gz JUYRDBJBPFTECQ-MRXNPFEDSA-N 1 0 362.543 2.333 20 10 FECDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1O ZINC000890762806 688962900 /nfs/dbraw/zinc/96/29/00/688962900.db2.gz JHLDGPRRZHVUKV-ZDUSSCGKSA-N 1 0 371.865 2.117 20 10 FECDRO O=C(NCCCSc1nccs1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891675049 689090721 /nfs/dbraw/zinc/09/07/21/689090721.db2.gz XVEWUGDWXZFEQM-ZDUSSCGKSA-N 1 0 370.544 2.083 20 10 FECDRO [NH3+]C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@H]1C(F)(F)F ZINC000891675013 689090796 /nfs/dbraw/zinc/09/07/96/689090796.db2.gz VYOKBMQNAQGJSV-NXEZZACHSA-N 1 0 368.450 2.404 20 10 FECDRO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1OC ZINC000892113084 689152157 /nfs/dbraw/zinc/15/21/57/689152157.db2.gz VSMYQKITFHZZBG-HIFRSBDPSA-N 1 0 357.472 2.197 20 10 FECDRO COc1ccc(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1OC ZINC000892488552 689202662 /nfs/dbraw/zinc/20/26/62/689202662.db2.gz PNFPHFBKAUXGSE-OKILXGFUSA-N 1 0 352.475 2.387 20 10 FECDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000893947216 689435704 /nfs/dbraw/zinc/43/57/04/689435704.db2.gz URKRLPVUABFHEC-OAHLLOKOSA-N 1 0 356.488 2.003 20 10 FECDRO COc1ccc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c(O)c1OC ZINC000895873358 689785574 /nfs/dbraw/zinc/78/55/74/689785574.db2.gz SFPGDGQEYUFCSX-UHFFFAOYSA-N 1 0 350.459 2.490 20 10 FECDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cncs1 ZINC000896443813 689874896 /nfs/dbraw/zinc/87/48/96/689874896.db2.gz DWXMCVCVGSOSQH-CQSZACIVSA-N 1 0 359.499 2.455 20 10 FECDRO CC(C)[C@@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102479 690304459 /nfs/dbraw/zinc/30/44/59/690304459.db2.gz PUUAKHDOGAPSLO-QZTJIDSGSA-N 1 0 350.507 2.062 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C2CC(CC(N)=O)C2)c1O ZINC000903253062 690875966 /nfs/dbraw/zinc/87/59/66/690875966.db2.gz HZLRHSHOOXEILJ-SILCLGDVSA-N 1 0 357.248 2.468 20 10 FECDRO COc1ccc(N2CCC[N@H+](Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000053772435 540553032 /nfs/dbraw/zinc/55/30/32/540553032.db2.gz QJLIESZQCMSCBK-UHFFFAOYSA-N 1 0 370.478 2.477 20 10 FECDRO CCC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1O ZINC000068973625 541645928 /nfs/dbraw/zinc/64/59/28/541645928.db2.gz JILRSLJXBZWBMU-UHFFFAOYSA-N 1 0 362.470 2.406 20 10 FECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)Cn1cccn1 ZINC000076118478 542235364 /nfs/dbraw/zinc/23/53/64/542235364.db2.gz BPRYGOLVXGNFHW-CQSZACIVSA-N 1 0 354.248 2.234 20 10 FECDRO Cc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000080880090 542612012 /nfs/dbraw/zinc/61/20/12/542612012.db2.gz HRQBMQRXZHFADB-UHFFFAOYSA-N 1 0 359.445 2.420 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091312998 542804701 /nfs/dbraw/zinc/80/47/01/542804701.db2.gz WUYGZWFAGAPJJL-LBPRGKRZSA-N 1 0 351.447 2.390 20 10 FECDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000802660125 674190662 /nfs/dbraw/zinc/19/06/62/674190662.db2.gz BTLBNINSBFCQCE-ZDUSSCGKSA-N 1 0 352.431 2.378 20 10 FECDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000121152546 543690067 /nfs/dbraw/zinc/69/00/67/543690067.db2.gz PAIFARKDSXDWPD-ARGQNCHBSA-N 1 0 357.498 2.335 20 10 FECDRO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000802746236 674195435 /nfs/dbraw/zinc/19/54/35/674195435.db2.gz IPPRUJUQRCIBHH-UHFFFAOYSA-N 1 0 364.511 2.271 20 10 FECDRO Cc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(C)n1-c1ccccn1 ZINC000131642117 544199743 /nfs/dbraw/zinc/19/97/43/544199743.db2.gz TUIWJRILLJIUHV-SFHVURJKSA-N 1 0 370.497 2.456 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000150935937 544488864 /nfs/dbraw/zinc/48/88/64/544488864.db2.gz DXFIVBDJFVKNLN-GVDBMIGSSA-N 1 0 365.493 2.422 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000805183095 674324761 /nfs/dbraw/zinc/32/47/61/674324761.db2.gz CBCGVEIPWGYEIY-GFCCVEGCSA-N 1 0 354.248 2.191 20 10 FECDRO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155312688 545509683 /nfs/dbraw/zinc/50/96/83/545509683.db2.gz NQHUEKAWBTZBRP-MRXNPFEDSA-N 1 0 365.493 2.424 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156755448 545656527 /nfs/dbraw/zinc/65/65/27/545656527.db2.gz XMIQVGVHMWWZJO-JKSUJKDBSA-N 1 0 351.466 2.034 20 10 FECDRO COCCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000171209309 546196942 /nfs/dbraw/zinc/19/69/42/546196942.db2.gz IHMKQUCXMRWVSO-UHFFFAOYSA-N 1 0 362.518 2.395 20 10 FECDRO COCC[N@H+](C)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000171214205 546198085 /nfs/dbraw/zinc/19/80/85/546198085.db2.gz YDBCPIBXPHIRFE-UHFFFAOYSA-N 1 0 362.518 2.397 20 10 FECDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000174208567 546293582 /nfs/dbraw/zinc/29/35/82/546293582.db2.gz QGIRNPRJWLJEPH-LJQANCHMSA-N 1 0 360.546 2.375 20 10 FECDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000181651542 547353479 /nfs/dbraw/zinc/35/34/79/547353479.db2.gz RMNMPAJADGHTRH-OAHLLOKOSA-N 1 0 372.444 2.024 20 10 FECDRO COc1cc(Cl)cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000184710063 547868887 /nfs/dbraw/zinc/86/88/87/547868887.db2.gz UNFOBXXGQOYOGK-UHFFFAOYSA-N 1 0 374.890 2.100 20 10 FECDRO Cc1cccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1O ZINC000184977410 547910256 /nfs/dbraw/zinc/91/02/56/547910256.db2.gz REIUDVCCONQGPV-LJQANCHMSA-N 1 0 354.450 2.260 20 10 FECDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Br)ccc1O ZINC000185179055 547946624 /nfs/dbraw/zinc/94/66/24/547946624.db2.gz KKJBRSXAMAWAMV-SSDOTTSWSA-N 1 0 355.154 2.484 20 10 FECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188181724 548273641 /nfs/dbraw/zinc/27/36/41/548273641.db2.gz VZGLNRKIUVMNJZ-UHFFFAOYSA-N 1 0 353.470 2.318 20 10 FECDRO COCc1noc(CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000188896890 548289539 /nfs/dbraw/zinc/28/95/39/548289539.db2.gz RGDOPZUXAYUZHI-UHFFFAOYSA-N 1 0 368.437 2.393 20 10 FECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN(c3ccnn3CC)C2=O)c1 ZINC000191641046 548347523 /nfs/dbraw/zinc/34/75/23/548347523.db2.gz NNOQQEXYLRFVEA-MRXNPFEDSA-N 1 0 358.442 2.293 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3ccnn3C)CC2)cc1 ZINC000192619192 548366991 /nfs/dbraw/zinc/36/69/91/548366991.db2.gz DGODRJXIYPWDRZ-QGZVFWFLSA-N 1 0 357.502 2.292 20 10 FECDRO CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(Br)ccc1O ZINC000230990831 548763019 /nfs/dbraw/zinc/76/30/19/548763019.db2.gz IBMPFTAHWGVNDR-GFCCVEGCSA-N 1 0 365.293 2.087 20 10 FECDRO C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[NH2+]C1 ZINC000237595398 548837205 /nfs/dbraw/zinc/83/72/05/548837205.db2.gz HIJKEAPEBQGQBN-QGZVFWFLSA-N 1 0 371.403 2.158 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000237827369 548856379 /nfs/dbraw/zinc/85/63/79/548856379.db2.gz XNVWIXMONKURTK-UHFFFAOYSA-N 1 0 371.403 2.158 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246503726 549149127 /nfs/dbraw/zinc/14/91/27/549149127.db2.gz HVGDNNVRYWKKCO-RXVVDRJESA-N 1 0 370.541 2.318 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1 ZINC000271115796 550341737 /nfs/dbraw/zinc/34/17/37/550341737.db2.gz BOVLQJNXONOCGB-HUUCEWRRSA-N 1 0 350.459 2.154 20 10 FECDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCN1c1nccn2cnnc12 ZINC000271302116 550362879 /nfs/dbraw/zinc/36/28/79/550362879.db2.gz UMNKDMHZBDXVNG-LBPRGKRZSA-N 1 0 358.833 2.194 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2F)C[C@H](C)O1 ZINC000271680142 550394682 /nfs/dbraw/zinc/39/46/82/550394682.db2.gz IIRNBJGBCKPBLJ-LZWOXQAQSA-N 1 0 370.490 2.106 20 10 FECDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272296239 550435756 /nfs/dbraw/zinc/43/57/56/550435756.db2.gz GCAAFABUJVIRKH-NUXNZHGMSA-N 1 0 351.466 2.429 20 10 FECDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000273348186 550495352 /nfs/dbraw/zinc/49/53/52/550495352.db2.gz ALJQRMMJHWVPRK-UHFFFAOYSA-N 1 0 362.407 2.093 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC([C@H]3CCCO3)CC1)cc2=O ZINC000275805260 550574611 /nfs/dbraw/zinc/57/46/11/550574611.db2.gz GYTQPVIAGYJJDP-MRXNPFEDSA-N 1 0 374.441 2.003 20 10 FECDRO CCOC(=O)c1csc(CC[NH2+]Cc2cc(OC)c(OC)cc2O)n1 ZINC000276267998 550577845 /nfs/dbraw/zinc/57/78/45/550577845.db2.gz XPESJEUDTDOHKN-UHFFFAOYSA-N 1 0 366.439 2.375 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1OC ZINC000282845197 551277055 /nfs/dbraw/zinc/27/70/55/551277055.db2.gz DAKBVFQNZVSZQP-UGSOOPFHSA-N 1 0 351.443 2.067 20 10 FECDRO O=S1(=O)CCC[C@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000283949858 551455871 /nfs/dbraw/zinc/45/58/71/551455871.db2.gz DKVRQZDUVINOMM-WBVHZDCISA-N 1 0 353.484 2.198 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000285011913 551688924 /nfs/dbraw/zinc/68/89/24/551688924.db2.gz JRUWCQIUQPKESY-UHFFFAOYSA-N 1 0 374.529 2.090 20 10 FECDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000286078436 551846077 /nfs/dbraw/zinc/84/60/77/551846077.db2.gz JYYPKVXIKGREIV-SJLPKXTDSA-N 1 0 363.477 2.447 20 10 FECDRO OCc1cn(CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)nn1 ZINC000291441508 552624698 /nfs/dbraw/zinc/62/46/98/552624698.db2.gz BXXMMZVDXVJMHB-UHFFFAOYSA-N 1 0 368.437 2.235 20 10 FECDRO OCc1cn([C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000293581906 552837337 /nfs/dbraw/zinc/83/73/37/552837337.db2.gz HTWHEYALKMMEIR-AWEZNQCLSA-N 1 0 367.247 2.076 20 10 FECDRO COC(=O)Cn1cc(C[N@H+](Cc2ccccc2O)C2CCCCC2)nn1 ZINC000294512142 552912066 /nfs/dbraw/zinc/91/20/66/552912066.db2.gz DARDXPQTZSVGQF-UHFFFAOYSA-N 1 0 358.442 2.492 20 10 FECDRO COC1CCN(c2ccc(CN3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)cc2)CC1 ZINC000295653047 553039526 /nfs/dbraw/zinc/03/95/26/553039526.db2.gz DEYQDVHEPVTABK-ZWKOTPCHSA-N 1 0 361.530 2.189 20 10 FECDRO C[C@H](CO)[C@H](C)[NH2+]CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000295711409 553048001 /nfs/dbraw/zinc/04/80/01/553048001.db2.gz KEKMUHABXRNYPE-OLZOCXBDSA-N 1 0 366.417 2.007 20 10 FECDRO COc1ccc(N2CC[NH+](CCCN[C@H]3CCn4ccnc43)CC2)cc1 ZINC000296158392 553114392 /nfs/dbraw/zinc/11/43/92/553114392.db2.gz XCHHPGWOSDIHCQ-IBGZPJMESA-N 1 0 355.486 2.138 20 10 FECDRO C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000296417502 553156515 /nfs/dbraw/zinc/15/65/15/553156515.db2.gz LEIROULWIMUALB-QFBILLFUSA-N 1 0 366.527 2.267 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000297622934 553316736 /nfs/dbraw/zinc/31/67/36/553316736.db2.gz IZRIJKARIISYPD-VQIMIIECSA-N 1 0 355.486 2.309 20 10 FECDRO C[NH+](C)CCCC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301911910 553690844 /nfs/dbraw/zinc/69/08/44/553690844.db2.gz GSNYTMRHWUDVSZ-UHFFFAOYSA-N 1 0 362.430 2.484 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)cc1OC ZINC000362380931 554967720 /nfs/dbraw/zinc/96/77/20/554967720.db2.gz SFQCUUICMGKGNJ-UHFFFAOYSA-N 1 0 350.459 2.490 20 10 FECDRO CN1CCCc2cc(CNC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)ccc21 ZINC000364200778 555268293 /nfs/dbraw/zinc/26/82/93/555268293.db2.gz LAKWHVGKKVKTBH-HGHGUNKESA-N 1 0 357.498 2.218 20 10 FECDRO C[C@@H](CNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)CN1CCOCC1 ZINC000365046759 555472487 /nfs/dbraw/zinc/47/24/87/555472487.db2.gz SKISZBCDLLEADW-KRWDZBQOSA-N 1 0 372.513 2.130 20 10 FECDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000368981001 556466735 /nfs/dbraw/zinc/46/67/35/556466735.db2.gz NZMVBIGYKKUGPQ-UXHICEINSA-N 1 0 372.513 2.027 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)cc1F ZINC000371763204 557286538 /nfs/dbraw/zinc/28/65/38/557286538.db2.gz VZJGLNHXESICLP-INIZCTEOSA-N 1 0 359.449 2.301 20 10 FECDRO Cc1cccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1O ZINC000375557473 558047886 /nfs/dbraw/zinc/04/78/86/558047886.db2.gz LLCJNDOQOLJUKU-OAHLLOKOSA-N 1 0 356.470 2.388 20 10 FECDRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000377201871 558287396 /nfs/dbraw/zinc/28/73/96/558287396.db2.gz QCOOOAHUVOIODT-KRWDZBQOSA-N 1 0 374.506 2.287 20 10 FECDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000378357790 558537621 /nfs/dbraw/zinc/53/76/21/558537621.db2.gz XGTMUGRAENQRCS-HNNXBMFYSA-N 1 0 368.865 2.166 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000525925209 562259857 /nfs/dbraw/zinc/25/98/57/562259857.db2.gz GFDIEWVSJYIKBC-MRXNPFEDSA-N 1 0 371.529 2.312 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CCS(=O)(=O)C(C)C)c1O ZINC000809791152 674510190 /nfs/dbraw/zinc/51/01/90/674510190.db2.gz UNJHDYYBVDLFFH-UHFFFAOYSA-N 1 0 366.277 2.076 20 10 FECDRO c1cc(-c2nn[nH]n2)sc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000823757996 606411945 /nfs/dbraw/zinc/41/19/45/606411945.db2.gz ZKFLQPPOYMBSNV-UHFFFAOYSA-N 1 0 356.455 2.055 20 10 FECDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1O ZINC000090025982 670709327 /nfs/dbraw/zinc/70/93/27/670709327.db2.gz BHSWYUXZUBDHBX-NWDGAFQWSA-N 1 0 355.232 2.343 20 10 FECDRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090883067 670715494 /nfs/dbraw/zinc/71/54/94/670715494.db2.gz MIKCAADXTBUSBM-AWEZNQCLSA-N 1 0 370.490 2.138 20 10 FECDRO CN(C)S(=O)(=O)CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761021 670844056 /nfs/dbraw/zinc/84/40/56/670844056.db2.gz RDKMGECHPVXOLT-UHFFFAOYSA-N 1 0 352.456 2.269 20 10 FECDRO CCC[NH+](CCC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000120470733 671926625 /nfs/dbraw/zinc/92/66/25/671926625.db2.gz PQAZIPIBAJYOSA-UHFFFAOYSA-N 1 0 351.466 2.401 20 10 FECDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000127447585 672037294 /nfs/dbraw/zinc/03/72/94/672037294.db2.gz SXYQHJVHTYFFOY-ZIAGYGMSSA-N 1 0 358.479 2.136 20 10 FECDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130038527 672069997 /nfs/dbraw/zinc/06/99/97/672069997.db2.gz BJGDAXCCKGJWLU-YOEHRIQHSA-N 1 0 352.450 2.100 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CCN2CCOC(C)(C)C2)c1O ZINC000171766530 672335470 /nfs/dbraw/zinc/33/54/70/672335470.db2.gz DZKSWSGDDSFYIM-UHFFFAOYSA-N 1 0 373.291 2.364 20 10 FECDRO COc1cc(N2CC[NH+](CC3CCOCC3)CC2)cc(OC)c1OC ZINC000183696671 672477351 /nfs/dbraw/zinc/47/73/51/672477351.db2.gz VUDAXHNLPGUNKX-UHFFFAOYSA-N 1 0 350.459 2.261 20 10 FECDRO COc1ccc(O)c(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000184959822 672514173 /nfs/dbraw/zinc/51/41/73/672514173.db2.gz OSBBOSZAAZUZOS-UHFFFAOYSA-N 1 0 362.451 2.231 20 10 FECDRO C[C@]1(c2ccc(C[NH2+]Cc3cc(Cl)ccc3O)cc2)NC(=O)NC1=O ZINC000726190290 673110108 /nfs/dbraw/zinc/11/01/08/673110108.db2.gz YCHOXGZRIHKYAF-GOSISDBHSA-N 1 0 359.813 2.390 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)CC(C)C)cc2F)CC1 ZINC000730268714 673268237 /nfs/dbraw/zinc/26/82/37/673268237.db2.gz FRVDDHHCMAOXEN-UHFFFAOYSA-N 1 0 357.495 2.043 20 10 FECDRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000731451147 673331209 /nfs/dbraw/zinc/33/12/09/673331209.db2.gz XGFKRJQLCIVGBG-UHFFFAOYSA-N 1 0 351.516 2.192 20 10 FECDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000731870736 673346003 /nfs/dbraw/zinc/34/60/03/673346003.db2.gz VTPWDKLZSUKNRN-UHFFFAOYSA-N 1 0 367.515 2.010 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)cc1F ZINC000818985227 675249957 /nfs/dbraw/zinc/24/99/57/675249957.db2.gz OVDPGERPLJORHD-AWEZNQCLSA-N 1 0 355.454 2.257 20 10 FECDRO CN1C(=O)NCC12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC000822529958 675490882 /nfs/dbraw/zinc/49/08/82/675490882.db2.gz LSZYNLOJAVVFSZ-UHFFFAOYSA-N 1 0 354.248 2.144 20 10 FECDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824601757 675613072 /nfs/dbraw/zinc/61/30/72/675613072.db2.gz NFNRAHLGRUXGOK-CYBMUJFWSA-N 1 0 354.248 2.144 20 10 FECDRO O=C1[C@H]([NH2+]Cc2ccc(Br)cc2O)CCN1CC(F)(F)F ZINC000825258763 675643856 /nfs/dbraw/zinc/64/38/56/675643856.db2.gz FBUHGMHPHAKBMR-SNVBAGLBSA-N 1 0 367.165 2.408 20 10 FECDRO C[C@@H]1CN(Cc2ccc(Br)cc2O)CC[N@@H+]1CC(C)(C)O ZINC000825628729 675661682 /nfs/dbraw/zinc/66/16/82/675661682.db2.gz GWVAPXLSMGGEDR-GFCCVEGCSA-N 1 0 357.292 2.432 20 10 FECDRO CC1(C)C[NH2+][C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358419 675815267 /nfs/dbraw/zinc/81/52/67/675815267.db2.gz KXQJHAUAIDTVBR-OAHLLOKOSA-N 1 0 353.413 2.371 20 10 FECDRO CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665202 677053345 /nfs/dbraw/zinc/05/33/45/677053345.db2.gz QSDGOIIBNGJTFS-WFASDCNBSA-N 1 0 353.413 2.371 20 10 FECDRO CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665200 677053433 /nfs/dbraw/zinc/05/34/33/677053433.db2.gz QSDGOIIBNGJTFS-IUODEOHRSA-N 1 0 353.413 2.371 20 10 FECDRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000760702281 680698299 /nfs/dbraw/zinc/69/82/99/680698299.db2.gz HGKWAIFKXGNHQV-UHFFFAOYSA-N 1 0 357.292 2.480 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000761123405 680711819 /nfs/dbraw/zinc/71/18/19/680711819.db2.gz ILEYGKQZBAEPMS-LSDHHAIUSA-N 1 0 363.845 2.437 20 10 FECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1O ZINC000761228889 680715749 /nfs/dbraw/zinc/71/57/49/680715749.db2.gz NVKMTURDKAYOGK-AWEZNQCLSA-N 1 0 368.275 2.499 20 10 FECDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146645 680741513 /nfs/dbraw/zinc/74/15/13/680741513.db2.gz PISUODMBBXUBBZ-FZKQIMNGSA-N 1 0 351.441 2.374 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1 ZINC000839175471 680742978 /nfs/dbraw/zinc/74/29/78/680742978.db2.gz QBASGYNWSFSDPH-DYVFJYSZSA-N 1 0 351.443 2.467 20 10 FECDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1 ZINC000839181231 680743327 /nfs/dbraw/zinc/74/33/27/680743327.db2.gz WXJFSFFFBDWICV-QGZVFWFLSA-N 1 0 357.483 2.127 20 10 FECDRO C[C@@H](C1=CC[N@H+](C)CC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762314656 680747357 /nfs/dbraw/zinc/74/73/57/680747357.db2.gz DKKFRPPSARFMGI-LBPRGKRZSA-N 1 0 363.845 2.460 20 10 FECDRO CC[C@H]([NH2+]C1(C(=O)NCCOC)CC1)c1cc(Br)ccc1O ZINC000840821051 680844839 /nfs/dbraw/zinc/84/48/39/680844839.db2.gz AYZRRUKWOQPRII-ZDUSSCGKSA-N 1 0 371.275 2.491 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000840942755 680855269 /nfs/dbraw/zinc/85/52/69/680855269.db2.gz CNCUEOKREMQOSI-UHFFFAOYSA-N 1 0 365.543 2.451 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cncc(F)c1 ZINC000765979184 680862021 /nfs/dbraw/zinc/86/20/21/680862021.db2.gz JEURDDULJIIDII-AWEZNQCLSA-N 1 0 363.458 2.306 20 10 FECDRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)C2CCOCC2)c2c1c(F)ccc2O ZINC000834891168 680280966 /nfs/dbraw/zinc/28/09/66/680280966.db2.gz QTTGJNUAJKNSBQ-RISCZKNCSA-N 1 0 357.447 2.263 20 10 FECDRO CCS(=O)(=O)N1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835035720 680288995 /nfs/dbraw/zinc/28/89/95/680288995.db2.gz KDUBRFSIOIVYGO-WAYWQWQTSA-N 1 0 351.516 2.170 20 10 FECDRO CNS(=O)(=O)c1cccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835035968 680289155 /nfs/dbraw/zinc/28/91/55/680289155.db2.gz NAHMZBKBTJPYSF-FNORWQNLSA-N 1 0 359.495 2.464 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]CCS(=O)(=O)NCC2CCC2)cc1 ZINC000835037424 680289295 /nfs/dbraw/zinc/28/92/95/680289295.db2.gz ODRAOGFYUBXLEW-QPJJXVBHSA-N 1 0 351.516 2.075 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@@H](O)CSc3ccccn3)CC2)cc1 ZINC000758209147 680562442 /nfs/dbraw/zinc/56/24/42/680562442.db2.gz ZHJXOANJLGPZCJ-QGZVFWFLSA-N 1 0 359.495 2.365 20 10 FECDRO COC(=O)/C=C\c1ccc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000759278265 680639234 /nfs/dbraw/zinc/63/92/34/680639234.db2.gz MXYQKFRNNQZHRV-KXVKIKSLSA-N 1 0 365.455 2.263 20 10 FECDRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000760045696 680675081 /nfs/dbraw/zinc/67/50/81/680675081.db2.gz ILHCYCBRPRYRAM-ZDUSSCGKSA-N 1 0 351.472 2.028 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000841707173 680908377 /nfs/dbraw/zinc/90/83/77/680908377.db2.gz OWUPHCVTRCMGBL-SJLPKXTDSA-N 1 0 360.527 2.133 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841707351 680908382 /nfs/dbraw/zinc/90/83/82/680908382.db2.gz RIZIKAUEFWCHEP-HNNXBMFYSA-N 1 0 370.469 2.036 20 10 FECDRO C[C@@](O)(C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1)C(F)(F)F ZINC000767513900 680914780 /nfs/dbraw/zinc/91/47/80/680914780.db2.gz MQYSZFHQLFYIMM-GDBMZVCRSA-N 1 0 361.360 2.343 20 10 FECDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC000841891686 680916415 /nfs/dbraw/zinc/91/64/15/680916415.db2.gz OOUGJELJIHGASS-OLZOCXBDSA-N 1 0 357.292 2.350 20 10 FECDRO C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1CCC[NH2+]C1 ZINC000841929691 680917833 /nfs/dbraw/zinc/91/78/33/680917833.db2.gz ZMZGFZMWIGUGNB-WDEREUQCSA-N 1 0 356.264 2.342 20 10 FECDRO CCOCCCNC(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768318489 680944098 /nfs/dbraw/zinc/94/40/98/680944098.db2.gz NKKVAYKLTIBAPE-UHFFFAOYSA-N 1 0 350.459 2.156 20 10 FECDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000768445060 680947329 /nfs/dbraw/zinc/94/73/29/680947329.db2.gz FCNQGQKMRFTJQH-NSHDSACASA-N 1 0 362.348 2.004 20 10 FECDRO NS(=O)(=O)c1ccc(C[NH2+]CCCSc2nccs2)c(F)c1 ZINC000842683247 680959462 /nfs/dbraw/zinc/95/94/62/680959462.db2.gz IGCJKSMJENDJKN-UHFFFAOYSA-N 1 0 361.489 2.202 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc(C)c1F ZINC000842783716 680966209 /nfs/dbraw/zinc/96/62/09/680966209.db2.gz BRPKWWPQCCADMH-KRWDZBQOSA-N 1 0 365.474 2.487 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C[C@H]2CCCC2(F)F)cc1 ZINC000842785017 680966315 /nfs/dbraw/zinc/96/63/15/680966315.db2.gz KKJIFZKUYGTBES-UKRRQHHQSA-N 1 0 361.458 2.107 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000842785303 680966350 /nfs/dbraw/zinc/96/63/50/680966350.db2.gz GVWATRVUAJVEDQ-INIZCTEOSA-N 1 0 353.875 2.384 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000842786476 680966471 /nfs/dbraw/zinc/96/64/71/680966471.db2.gz RQSHRPBFYWJXFK-HNNXBMFYSA-N 1 0 353.875 2.384 20 10 FECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c(O)c1 ZINC000769003820 680967649 /nfs/dbraw/zinc/96/76/49/680967649.db2.gz GKPBBTGNFFREQN-ZBFHGGJFSA-N 1 0 350.459 2.154 20 10 FECDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000843124281 680989006 /nfs/dbraw/zinc/98/90/06/680989006.db2.gz WZJMORULXUOOCP-OAHLLOKOSA-N 1 0 359.392 2.108 20 10 FECDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1ccc(Br)cn1 ZINC000843292110 680996062 /nfs/dbraw/zinc/99/60/62/680996062.db2.gz BUMJYPQXIQBIMM-CYBMUJFWSA-N 1 0 363.259 2.425 20 10 FECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1(C)C ZINC000776158752 681368537 /nfs/dbraw/zinc/36/85/37/681368537.db2.gz VMLXGHSGCZLWCM-MSOLQXFVSA-N 1 0 366.527 2.215 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)CC1 ZINC000850436932 681901546 /nfs/dbraw/zinc/90/15/46/681901546.db2.gz XCCZGBGQFVZVKS-UHFFFAOYSA-N 1 0 358.454 2.099 20 10 FECDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000853519476 682426881 /nfs/dbraw/zinc/42/68/81/682426881.db2.gz CSAZQASWWUDZEV-OAHLLOKOSA-N 1 0 352.431 2.165 20 10 FECDRO COCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCOC1 ZINC000787336143 682451202 /nfs/dbraw/zinc/45/12/02/682451202.db2.gz ZJWYCVSYGBIXFI-CYBMUJFWSA-N 1 0 360.248 2.401 20 10 FECDRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCCCSc2nccs2)CCO1 ZINC000853857373 682479982 /nfs/dbraw/zinc/47/99/82/682479982.db2.gz AKJGBPOGFZPYLL-CQSZACIVSA-N 1 0 372.560 2.378 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000792186708 682795282 /nfs/dbraw/zinc/79/52/82/682795282.db2.gz PVULNNQXPOXAQP-CYBMUJFWSA-N 1 0 369.259 2.360 20 10 FECDRO O=C(CC[NH2+]Cc1c(O)cccc1Br)NCc1cccnc1 ZINC000858112589 682934995 /nfs/dbraw/zinc/93/49/95/682934995.db2.gz FZRWFHCRHAOQBI-UHFFFAOYSA-N 1 0 364.243 2.346 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O ZINC000858488958 682972553 /nfs/dbraw/zinc/97/25/53/682972553.db2.gz OTYBOTBVWQEAAS-AAEUAGOBSA-N 1 0 358.833 2.413 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCSCC[C@@H]3C)CC2)cc1 ZINC000794570060 682980245 /nfs/dbraw/zinc/98/02/45/682980245.db2.gz FIPDODWSVIECAB-INIZCTEOSA-N 1 0 363.527 2.171 20 10 FECDRO C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000926984789 683193781 /nfs/dbraw/zinc/19/37/81/683193781.db2.gz HXKUBCPAOJOSGE-KGLIPLIRSA-N 1 0 351.878 2.353 20 10 FECDRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000927026846 683199644 /nfs/dbraw/zinc/19/96/44/683199644.db2.gz RCPHOYCZRARBDL-WMZOPIPTSA-N 1 0 363.479 2.061 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c1O ZINC000927131749 683210752 /nfs/dbraw/zinc/21/07/52/683210752.db2.gz QRFNTQJKCJUIPV-TVQRCGJNSA-N 1 0 370.247 2.281 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000920867003 683374973 /nfs/dbraw/zinc/37/49/73/683374973.db2.gz LLOMEPNHEWTDAH-OLZOCXBDSA-N 1 0 359.392 2.241 20 10 FECDRO COc1cc(C)cc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1O ZINC000799957622 683515226 /nfs/dbraw/zinc/51/52/26/683515226.db2.gz CVJNTUYVGBIPDU-UHFFFAOYSA-N 1 0 368.499 2.099 20 10 FECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862394935 683583638 /nfs/dbraw/zinc/58/36/38/683583638.db2.gz TZQURXGQVPWHEC-JTQLQIEISA-N 1 0 360.273 2.493 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000862427590 683590264 /nfs/dbraw/zinc/59/02/64/683590264.db2.gz BONNPZZEKINPSN-GFCCVEGCSA-N 1 0 357.248 2.216 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1Cl ZINC000862481411 683594595 /nfs/dbraw/zinc/59/45/95/683594595.db2.gz GFMVPRRNRIIVGA-ZDUSSCGKSA-N 1 0 358.833 2.160 20 10 FECDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000862475516 683594928 /nfs/dbraw/zinc/59/49/28/683594928.db2.gz NJRXQWQFDFJIRH-HNNXBMFYSA-N 1 0 358.232 2.227 20 10 FECDRO NS(=O)(=O)c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1Cl ZINC000865439959 683982968 /nfs/dbraw/zinc/98/29/68/683982968.db2.gz BIPRYRZSYSQLSR-UHFFFAOYSA-N 1 0 352.843 2.212 20 10 FECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1 ZINC000865741234 684021720 /nfs/dbraw/zinc/02/17/20/684021720.db2.gz GMQRRBAOXIIRFZ-IAGOWNOFSA-N 1 0 368.499 2.274 20 10 FECDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000866457022 684106947 /nfs/dbraw/zinc/10/69/47/684106947.db2.gz HOPZYNCEXVFIIG-CQSZACIVSA-N 1 0 357.495 2.406 20 10 FECDRO O=S(=O)(CCC[NH+]1CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000866485446 684110452 /nfs/dbraw/zinc/11/04/52/684110452.db2.gz RFQGLYNLRLGIJC-UHFFFAOYSA-N 1 0 351.516 2.192 20 10 FECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)c2c1 ZINC000872797178 685017059 /nfs/dbraw/zinc/01/70/59/685017059.db2.gz XLUIBCFARKGKMP-CABCVRRESA-N 1 0 361.463 2.421 20 10 FECDRO O=C(CCC1C[NH2+]C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876742178 686258744 /nfs/dbraw/zinc/25/87/44/686258744.db2.gz RMTDTWMWCREHIA-UHFFFAOYSA-N 1 0 353.413 2.373 20 10 FECDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000886296078 688227625 /nfs/dbraw/zinc/22/76/25/688227625.db2.gz ZSSQQOXNCNUUDH-HIFRSBDPSA-N 1 0 367.471 2.108 20 10 FECDRO CSC[C@H]1CCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666268 688804062 /nfs/dbraw/zinc/80/40/62/688804062.db2.gz JFTHITHXMWHCPG-GOSISDBHSA-N 1 0 362.543 2.475 20 10 FECDRO C[NH+]1CCN(c2cccc(C(=O)NCc3cccc(Cl)c3O)n2)CC1 ZINC000890759625 688962612 /nfs/dbraw/zinc/96/26/12/688962612.db2.gz FKNQPPNPXMZSTR-UHFFFAOYSA-N 1 0 360.845 2.122 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)c2cnn(C(F)F)c2)[NH+](C)C)cc1 ZINC000891246992 689039471 /nfs/dbraw/zinc/03/94/71/689039471.db2.gz RFUDRIZUMZIUQA-HNNXBMFYSA-N 1 0 351.401 2.377 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)CCOCC(F)(F)F)[NH+](C)C)cc1 ZINC000891256293 689040924 /nfs/dbraw/zinc/04/09/24/689040924.db2.gz XCVYZFLJZSTZTG-OAHLLOKOSA-N 1 0 361.408 2.441 20 10 FECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891563218 689078494 /nfs/dbraw/zinc/07/84/94/689078494.db2.gz BDMBGBXLECRJHM-UHFFFAOYSA-N 1 0 359.499 2.244 20 10 FECDRO [NH3+]C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@H]1C(F)(F)F ZINC000891675015 689090935 /nfs/dbraw/zinc/09/09/35/689090935.db2.gz VYOKBMQNAQGJSV-VHSXEESVSA-N 1 0 368.450 2.404 20 10 FECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(OC)c(OC)c1O)CC2 ZINC000892102207 689150434 /nfs/dbraw/zinc/15/04/34/689150434.db2.gz QIEPYFYXWLHROA-HZPDHXFCSA-N 1 0 351.443 2.161 20 10 FECDRO CCC[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)CC[N@@H+]1CCOC ZINC000892211923 689165102 /nfs/dbraw/zinc/16/51/02/689165102.db2.gz OFMALQIATRUVKH-MRXNPFEDSA-N 1 0 352.475 2.342 20 10 FECDRO COc1cc(Cl)cc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1O ZINC000895345168 689700197 /nfs/dbraw/zinc/70/01/97/689700197.db2.gz YAAKEZHCHGXFTK-CQSZACIVSA-N 1 0 353.850 2.434 20 10 FECDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896136951 689825367 /nfs/dbraw/zinc/82/53/67/689825367.db2.gz ADZUJBHLMDMTPL-LBPRGKRZSA-N 1 0 350.440 2.153 20 10 FECDRO O=C1N[C@H](C2CC[NH+](Cc3cc(Br)ccc3O)CC2)CO1 ZINC000897022992 689965292 /nfs/dbraw/zinc/96/52/92/689965292.db2.gz AYFPRJYZTVIIDJ-ZDUSSCGKSA-N 1 0 355.232 2.475 20 10 FECDRO CN(C)c1ccc([C@@H](CNc2nc(N)nc(C(F)F)n2)[NH+](C)C)cc1 ZINC000897523829 690034118 /nfs/dbraw/zinc/03/41/18/690034118.db2.gz XUXPSKQFNVDMJU-GFCCVEGCSA-N 1 0 351.405 2.172 20 10 FECDRO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1CS(N)(=O)=O ZINC000897609805 690048441 /nfs/dbraw/zinc/04/84/41/690048441.db2.gz MPRXJWOCKPQBQU-KDOFPFPSSA-N 1 0 360.479 2.416 20 10 FECDRO COc1nn(C)cc1C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000898027922 690117573 /nfs/dbraw/zinc/11/75/73/690117573.db2.gz DGLOUGZNCMDYBL-UHFFFAOYSA-N 1 0 356.220 2.195 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C(C)(C)O)[NH+](C)C)cc1 ZINC000899098872 690303910 /nfs/dbraw/zinc/30/39/10/690303910.db2.gz UGTSDCILQACNNR-INIZCTEOSA-N 1 0 350.507 2.204 20 10 FECDRO CC[C@H](C[C@@H](C)O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099157 690303932 /nfs/dbraw/zinc/30/39/32/690303932.db2.gz WFCDHUCKLNDSFE-QGPMSJSTSA-N 1 0 350.507 2.204 20 10 FECDRO C[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C[C@H](C)O ZINC000899102504 690304400 /nfs/dbraw/zinc/30/44/00/690304400.db2.gz QBAQPYKKMGUVEO-RVKKMQEKSA-N 1 0 350.507 2.062 20 10 FECDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000900700400 690549887 /nfs/dbraw/zinc/54/98/87/690549887.db2.gz RENUWQJBZLFFSV-UHFFFAOYSA-N 1 0 363.483 2.070 20 10 FECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1O ZINC000903435829 690893908 /nfs/dbraw/zinc/89/39/08/690893908.db2.gz SLKZWPTYOFPWOT-GHMZBOCLSA-N 1 0 364.833 2.479 20 10 FECDRO CC1CCN(c2ccc(CNS(=O)(=O)CC3CC[NH2+]CC3)cc2)CC1 ZINC000905336526 691103131 /nfs/dbraw/zinc/10/31/31/691103131.db2.gz RHHUOYCPHOSGHU-UHFFFAOYSA-N 1 0 365.543 2.342 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)cc1OC ZINC000905711086 691167240 /nfs/dbraw/zinc/16/72/40/691167240.db2.gz UDQFHTRHTYCKRX-SFHVURJKSA-N 1 0 350.415 2.120 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)cc1OC ZINC000905711085 691167417 /nfs/dbraw/zinc/16/74/17/691167417.db2.gz UDQFHTRHTYCKRX-GOSISDBHSA-N 1 0 350.415 2.120 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)NCCF ZINC000800293894 674038848 /nfs/dbraw/zinc/03/88/48/674038848.db2.gz OEZDQIMXRMVFBF-CYBMUJFWSA-N 1 0 352.410 2.149 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCN2CCCO)c1O ZINC000824559832 675610233 /nfs/dbraw/zinc/61/02/33/675610233.db2.gz ZWSYZYZPIFTWTN-AWEZNQCLSA-N 1 0 373.291 2.100 20 10 FECDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000054787083 540609768 /nfs/dbraw/zinc/60/97/68/540609768.db2.gz XPJSGUCPSVFVLG-QGZVFWFLSA-N 1 0 360.502 2.054 20 10 FECDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Br)cc2O)CCCOC1 ZINC000825535966 675658078 /nfs/dbraw/zinc/65/80/78/675658078.db2.gz CZCMYTFXVKLTAR-HNNXBMFYSA-N 1 0 358.232 2.357 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cc(C)on3)cc2F)CC1 ZINC000074587528 542101040 /nfs/dbraw/zinc/10/10/40/542101040.db2.gz KOIUXJPCLOAOKV-UHFFFAOYSA-N 1 0 360.433 2.123 20 10 FECDRO C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[N@H+](C)C1CC1 ZINC000105266638 543167520 /nfs/dbraw/zinc/16/75/20/543167520.db2.gz PATPECNSZBUWOK-INIZCTEOSA-N 1 0 360.502 2.147 20 10 FECDRO O=C(CCn1cccn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000153996568 544849876 /nfs/dbraw/zinc/84/98/76/544849876.db2.gz GZNHMVMYMBCDNX-MRXNPFEDSA-N 1 0 362.861 2.413 20 10 FECDRO COCCCN(C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166844087 546157090 /nfs/dbraw/zinc/15/70/90/546157090.db2.gz IOCMRPWLUZRBJZ-INIZCTEOSA-N 1 0 353.482 2.281 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H](C)COC)cc2F)CC1 ZINC000171751314 546223474 /nfs/dbraw/zinc/22/34/74/546223474.db2.gz IXCAMQOJVNDICT-OAHLLOKOSA-N 1 0 366.481 2.144 20 10 FECDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c(O)c1 ZINC000184981074 547911244 /nfs/dbraw/zinc/91/12/44/547911244.db2.gz UHWXVRSYPSCZMM-KRWDZBQOSA-N 1 0 355.486 2.354 20 10 FECDRO O=C(C[N@@H+]1CCCC2(CC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000186980901 548234502 /nfs/dbraw/zinc/23/45/02/548234502.db2.gz HSOHRSLCGQWODE-UHFFFAOYSA-N 1 0 361.461 2.155 20 10 FECDRO c1c(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n[nH]c1C1CC1 ZINC000189899588 548314449 /nfs/dbraw/zinc/31/44/49/548314449.db2.gz QTUAAMKDOMTKAK-UHFFFAOYSA-N 1 0 367.497 2.446 20 10 FECDRO COc1cc(N2CC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)cc(OC)c1OC ZINC000191106027 548340293 /nfs/dbraw/zinc/34/02/93/548340293.db2.gz GZLOBXYHGLXVAM-GDBMZVCRSA-N 1 0 350.459 2.402 20 10 FECDRO CCOc1cccc(C[NH2+][C@H]2CCCN(c3ccnn3CC)C2=O)c1O ZINC000191642453 548347380 /nfs/dbraw/zinc/34/73/80/548347380.db2.gz MJHZOQSEZFVSJP-HNNXBMFYSA-N 1 0 358.442 2.293 20 10 FECDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000192099411 548359124 /nfs/dbraw/zinc/35/91/24/548359124.db2.gz LOZQMZYUIWKHIG-NWDGAFQWSA-N 1 0 359.392 2.142 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000237221074 548809793 /nfs/dbraw/zinc/80/97/93/548809793.db2.gz IDIRFSDCFYJRDJ-FQEVSTJZSA-N 1 0 353.466 2.224 20 10 FECDRO COc1ccc(N2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)cc1F ZINC000237268040 548813555 /nfs/dbraw/zinc/81/35/55/548813555.db2.gz QXROZOCITOUTHM-QGZVFWFLSA-N 1 0 357.429 2.225 20 10 FECDRO Cc1cc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)n1-c1ccccc1 ZINC000237687124 548844756 /nfs/dbraw/zinc/84/47/56/548844756.db2.gz SOJGRGYRMCVKMX-QGZVFWFLSA-N 1 0 368.481 2.021 20 10 FECDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000247324000 549318965 /nfs/dbraw/zinc/31/89/65/549318965.db2.gz SYFRBVSCXOUCRD-NTPJFSOPSA-N 1 0 369.509 2.479 20 10 FECDRO O=C(COc1ccccc1C[NH2+]Cc1ccccc1O)NC[C@H]1CCCO1 ZINC000263687136 549919628 /nfs/dbraw/zinc/91/96/28/549919628.db2.gz NVTOSIADNUAFGD-GOSISDBHSA-N 1 0 370.449 2.356 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1O ZINC000267366024 550030537 /nfs/dbraw/zinc/03/05/37/550030537.db2.gz JHLZPOMUYHRUIC-AWEZNQCLSA-N 1 0 352.862 2.402 20 10 FECDRO CC[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[NH+](C)C ZINC000268865096 550124637 /nfs/dbraw/zinc/12/46/37/550124637.db2.gz ZWPYGKGRVCTTRC-JKIFEVAISA-N 1 0 351.466 2.396 20 10 FECDRO O=C(NCCCO)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271029023 550333263 /nfs/dbraw/zinc/33/32/63/550333263.db2.gz BOLNYEHVZDYDQA-UHFFFAOYSA-N 1 0 359.514 2.388 20 10 FECDRO CC[N@H+](CCCOC(=O)NC(N)=O)Cc1cc(Br)ccc1O ZINC000271371794 550369793 /nfs/dbraw/zinc/36/97/93/550369793.db2.gz NFMCOSIFRCVJJH-UHFFFAOYSA-N 1 0 374.235 2.172 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](CC)CSC)cc2=O ZINC000271609217 550389723 /nfs/dbraw/zinc/38/97/23/550389723.db2.gz VCHVGPBCFXWESB-GFCCVEGCSA-N 1 0 352.460 2.185 20 10 FECDRO Oc1cc2c(cc1C[NH+]1CCC(c3nnc4n3CCCC4)CC1)OCO2 ZINC000274754502 550552210 /nfs/dbraw/zinc/55/22/10/550552210.db2.gz HFQCIVPDTIUJLI-UHFFFAOYSA-N 1 0 356.426 2.428 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@](C)(CC)OC)cc2F)CC1 ZINC000280734674 551026620 /nfs/dbraw/zinc/02/66/20/551026620.db2.gz NOSYRAVZOMLZNC-LJQANCHMSA-N 1 0 351.466 2.399 20 10 FECDRO Cc1ccc([C@H]([NH3+])C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000280748242 551027935 /nfs/dbraw/zinc/02/79/35/551027935.db2.gz PPRMOLYBQCPTBX-IBGZPJMESA-N 1 0 357.429 2.287 20 10 FECDRO CN(CCC[NH+]1CCCC1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000281870897 551151415 /nfs/dbraw/zinc/15/14/15/551151415.db2.gz ZJFNTDMVURBWDZ-JXMROGBWSA-N 1 0 357.498 2.481 20 10 FECDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000282361224 551217266 /nfs/dbraw/zinc/21/72/66/551217266.db2.gz DIRPBTJTHZEIRU-MRXNPFEDSA-N 1 0 361.486 2.074 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000283992209 551463399 /nfs/dbraw/zinc/46/33/99/551463399.db2.gz JPHDHOSODPNFSS-QFBILLFUSA-N 1 0 374.529 2.090 20 10 FECDRO COc1cccc(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1O ZINC000284559339 551577315 /nfs/dbraw/zinc/57/73/15/551577315.db2.gz OFCLAJUKYMTDBY-DNVCBOLYSA-N 1 0 370.453 2.119 20 10 FECDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000286078429 551846047 /nfs/dbraw/zinc/84/60/47/551846047.db2.gz JYYPKVXIKGREIV-AEFFLSMTSA-N 1 0 363.477 2.447 20 10 FECDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000287036414 551954657 /nfs/dbraw/zinc/95/46/57/551954657.db2.gz GAOXPYLCCDICNP-KKUMJFAQSA-N 1 0 366.481 2.189 20 10 FECDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287039369 551955025 /nfs/dbraw/zinc/95/50/25/551955025.db2.gz FLHAJZDANWGTHF-YLJYHZDGSA-N 1 0 372.513 2.291 20 10 FECDRO Oc1cc2c(cc1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1)OCO2 ZINC000288447646 552155336 /nfs/dbraw/zinc/15/53/36/552155336.db2.gz MRKAWNGJZWRRHU-CYBMUJFWSA-N 1 0 358.394 2.221 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1OC ZINC000289731895 552369527 /nfs/dbraw/zinc/36/95/27/552369527.db2.gz PVOWLEOGXVDZSD-HNNXBMFYSA-N 1 0 363.458 2.179 20 10 FECDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cc(F)ccc3O)C2=O)c(OC)c1 ZINC000289919280 552399540 /nfs/dbraw/zinc/39/95/40/552399540.db2.gz VQOLWDQOJGSMCP-KRWDZBQOSA-N 1 0 374.412 2.439 20 10 FECDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C2)C1 ZINC000293844993 552861845 /nfs/dbraw/zinc/86/18/45/552861845.db2.gz CUMSLAWTOXVFSO-QNBZTBGESA-N 1 0 369.509 2.481 20 10 FECDRO COc1ccc(N2CCN(CCNC(=O)NCCC(C)(F)F)CC2)cc1 ZINC000296443779 553160656 /nfs/dbraw/zinc/16/06/56/553160656.db2.gz UJSRDHWOPAZPHJ-UHFFFAOYSA-N 1 0 370.444 2.162 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298705660 553461076 /nfs/dbraw/zinc/46/10/76/553461076.db2.gz FISHYYJQBJCORY-UXHICEINSA-N 1 0 372.513 2.291 20 10 FECDRO COCC[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000299235647 553534817 /nfs/dbraw/zinc/53/48/17/553534817.db2.gz JSYVVFMTYAIFBT-UHFFFAOYSA-N 1 0 356.470 2.283 20 10 FECDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000362710852 554983162 /nfs/dbraw/zinc/98/31/62/554983162.db2.gz LVNVYCDKPCEVHR-UHFFFAOYSA-N 1 0 355.438 2.377 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000363892877 555208340 /nfs/dbraw/zinc/20/83/40/555208340.db2.gz DFERIYDFOMGFGZ-FZKQIMNGSA-N 1 0 370.453 2.341 20 10 FECDRO Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C2=O)n1 ZINC000363972493 555224752 /nfs/dbraw/zinc/22/47/52/555224752.db2.gz ILEXAOYQXVCXOU-GOSISDBHSA-N 1 0 371.460 2.271 20 10 FECDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000364325560 555291666 /nfs/dbraw/zinc/29/16/66/555291666.db2.gz COBPATIXUBXUDJ-GOSISDBHSA-N 1 0 371.441 2.465 20 10 FECDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2ccc3c(c2)CCN3C)CC1 ZINC000364505385 555325777 /nfs/dbraw/zinc/32/57/77/555325777.db2.gz CSTRPSWMARPBEP-UHFFFAOYSA-N 1 0 374.529 2.368 20 10 FECDRO O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000366325253 555812397 /nfs/dbraw/zinc/81/23/97/555812397.db2.gz OZUJCCAWTRGWND-OLZOCXBDSA-N 1 0 357.376 2.137 20 10 FECDRO CN1CCc2cc(C[NH2+]CC(=O)N[C@H]3CCOc4ccccc43)ccc21 ZINC000367057584 556000830 /nfs/dbraw/zinc/00/08/30/556000830.db2.gz KWVCDYGMIPYFSV-SFHVURJKSA-N 1 0 351.450 2.409 20 10 FECDRO O=S1(=O)CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000368274859 556265329 /nfs/dbraw/zinc/26/53/29/556265329.db2.gz UWMOPNPAZHNIPP-UHFFFAOYSA-N 1 0 374.453 2.424 20 10 FECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000369721878 556677865 /nfs/dbraw/zinc/67/78/65/556677865.db2.gz PANDCVBATCXRBW-MFKMUULPSA-N 1 0 355.232 2.393 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cnn(C)c2)C1 ZINC000517069674 562074517 /nfs/dbraw/zinc/07/45/17/562074517.db2.gz VICCFDQWDHCZCF-UHFFFAOYSA-N 1 0 365.481 2.458 20 10 FECDRO Cc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1O ZINC000371601038 557236235 /nfs/dbraw/zinc/23/62/35/557236235.db2.gz FPLPPFQPTSRFBG-ZDUSSCGKSA-N 1 0 364.471 2.175 20 10 FECDRO C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000374514295 557893482 /nfs/dbraw/zinc/89/34/82/557893482.db2.gz NUHURSUIXOUVNZ-YJLNNSPDSA-N 1 0 361.461 2.466 20 10 FECDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375304643 558006700 /nfs/dbraw/zinc/00/67/00/558006700.db2.gz UKCYEVQAZJRSDU-ROOHIHILSA-N 1 0 361.461 2.370 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000377740248 558408787 /nfs/dbraw/zinc/40/87/87/558408787.db2.gz TXYAEWLLCPZJTK-DZJZLKLXSA-N 1 0 373.497 2.000 20 10 FECDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378406291 558549564 /nfs/dbraw/zinc/54/95/64/558549564.db2.gz UTPSJWRAWRZQON-QRCPMIHRSA-N 1 0 361.461 2.322 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)CC(N)=O)C1 ZINC000436020885 559933766 /nfs/dbraw/zinc/93/37/66/559933766.db2.gz MBNXHWKNEIXEDQ-UHFFFAOYSA-N 1 0 370.497 2.178 20 10 FECDRO CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810210600 674536985 /nfs/dbraw/zinc/53/69/85/674536985.db2.gz ZMHOWLKEWFEJHA-GFCCVEGCSA-N 1 0 354.394 2.391 20 10 FECDRO CS(=O)(=O)CCN1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816546967 675063923 /nfs/dbraw/zinc/06/39/23/675063923.db2.gz DLGJEAKIVDXWOY-UHFFFAOYSA-N 1 0 362.495 2.144 20 10 FECDRO O=C(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])NCC[NH+]1CCCCCC1 ZINC000816620572 675068934 /nfs/dbraw/zinc/06/89/34/675068934.db2.gz AWQLOVYCGDKHKU-UHFFFAOYSA-N 1 0 357.857 2.267 20 10 FECDRO O=C(C[NH2+]Cc1c([O-])ccc(Cl)c1F)NCC[NH+]1CCCCCC1 ZINC000816619991 675069127 /nfs/dbraw/zinc/06/91/27/675069127.db2.gz DLXHYBUXXRPLLW-UHFFFAOYSA-N 1 0 357.857 2.267 20 10 FECDRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCS1 ZINC000076072481 670540998 /nfs/dbraw/zinc/54/09/98/670540998.db2.gz SYTXNTUVGNQARY-GOSISDBHSA-N 1 0 363.527 2.171 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)cc1F ZINC000091590863 670729681 /nfs/dbraw/zinc/72/96/81/670729681.db2.gz ZFARZIPDFMVNKI-UHFFFAOYSA-N 1 0 363.355 2.025 20 10 FECDRO CCN(C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1)S(C)(=O)=O ZINC000109001350 670834971 /nfs/dbraw/zinc/83/49/71/670834971.db2.gz PTAYJKNGRPYCEM-UHFFFAOYSA-N 1 0 352.500 2.127 20 10 FECDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000109001201 670835373 /nfs/dbraw/zinc/83/53/73/670835373.db2.gz UYDKFAGFGHFCSB-UHFFFAOYSA-N 1 0 352.500 2.127 20 10 FECDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCC1 ZINC000817577242 675148820 /nfs/dbraw/zinc/14/88/20/675148820.db2.gz GWTQYJWFTQZYBU-INIZCTEOSA-N 1 0 366.527 2.359 20 10 FECDRO COc1cccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000119481642 671900506 /nfs/dbraw/zinc/90/05/06/671900506.db2.gz HFIDTGCRNYNGRV-GFCCVEGCSA-N 1 0 350.440 2.241 20 10 FECDRO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000154054719 672209890 /nfs/dbraw/zinc/20/98/90/672209890.db2.gz ZOGRMNHQIKMFQE-KRWDZBQOSA-N 1 0 351.516 2.191 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)CCSC)CC2)cc1 ZINC000172432673 672341703 /nfs/dbraw/zinc/34/17/03/672341703.db2.gz GOQYZGYJCZKKOO-MRXNPFEDSA-N 1 0 365.543 2.417 20 10 FECDRO COc1ccc(N2CCC(NC(=S)NCCC[NH+](C)C)CC2)cc1 ZINC000726494655 673126916 /nfs/dbraw/zinc/12/69/16/673126916.db2.gz UJKZPMNYYWWEMY-UHFFFAOYSA-N 1 0 350.532 2.080 20 10 FECDRO CCN(C)c1ccc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)cc1 ZINC000741754139 673696705 /nfs/dbraw/zinc/69/67/05/673696705.db2.gz JMAJZZIOOGEALY-UHFFFAOYSA-N 1 0 353.532 2.389 20 10 FECDRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964452 675247325 /nfs/dbraw/zinc/24/73/25/675247325.db2.gz WNORCOQQXHHNPP-QGZVFWFLSA-N 1 0 352.500 2.034 20 10 FECDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966908 675247678 /nfs/dbraw/zinc/24/76/78/675247678.db2.gz PFZLKEABUOMQFS-UXLLHSPISA-N 1 0 354.466 2.316 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000823851663 675574666 /nfs/dbraw/zinc/57/46/66/675574666.db2.gz VBPKCSKZMJIBBI-QGZVFWFLSA-N 1 0 364.511 2.113 20 10 FECDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Br)cc3O)CC2)C1 ZINC000824761672 675620634 /nfs/dbraw/zinc/62/06/34/675620634.db2.gz ILMCAJQSIAYTPF-MRXNPFEDSA-N 1 0 368.319 2.367 20 10 FECDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000825040467 675634723 /nfs/dbraw/zinc/63/47/23/675634723.db2.gz LAOHQYQIZOLXFC-WBVHZDCISA-N 1 0 350.434 2.484 20 10 FECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CC12COC2 ZINC000826029696 675678587 /nfs/dbraw/zinc/67/85/87/675678587.db2.gz JCBMQRNXEYDOQQ-ZDUSSCGKSA-N 1 0 370.243 2.166 20 10 FECDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358641 675815289 /nfs/dbraw/zinc/81/52/89/675815289.db2.gz MZCCSTNHHVPEMQ-BLLLJJGKSA-N 1 0 353.413 2.371 20 10 FECDRO CC(C)(C)OC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764866298 680823080 /nfs/dbraw/zinc/82/30/80/680823080.db2.gz CRRODCDMXRZFQQ-AWEZNQCLSA-N 1 0 368.861 2.468 20 10 FECDRO CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cc(Cl)ccc1O ZINC000840895960 680850689 /nfs/dbraw/zinc/85/06/89/680850689.db2.gz BXCIQELXWOOJPN-CYBMUJFWSA-N 1 0 351.838 2.257 20 10 FECDRO O=[N+]([O-])c1cc(C[NH2+]CCS(=O)(=O)C2CC2)ccc1N1CCCCC1 ZINC000840964772 680857560 /nfs/dbraw/zinc/85/75/60/680857560.db2.gz PQOYEAOHBXGSQS-UHFFFAOYSA-N 1 0 367.471 2.252 20 10 FECDRO CCS(=O)(=O)CCC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000840973979 680858055 /nfs/dbraw/zinc/85/80/55/680858055.db2.gz YSGPAMQAXRAKBQ-UHFFFAOYSA-N 1 0 366.277 2.078 20 10 FECDRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000840976303 680858238 /nfs/dbraw/zinc/85/82/38/680858238.db2.gz UUJXSUFTYRLIDQ-UHFFFAOYSA-N 1 0 362.289 2.459 20 10 FECDRO [NH3+]CC(=O)N1CCC[C@H](CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000841011254 680859381 /nfs/dbraw/zinc/85/93/81/680859381.db2.gz FYVZGPHJKWYCSH-CYBMUJFWSA-N 1 0 353.413 2.238 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2c(Br)cnn2C)cc1 ZINC000841044505 680860860 /nfs/dbraw/zinc/86/08/60/680860860.db2.gz ZCVGGDXKYGPPAI-CQSZACIVSA-N 1 0 352.280 2.038 20 10 FECDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977886 680862094 /nfs/dbraw/zinc/86/20/94/680862094.db2.gz KDUDGFVEPAPQED-KRWDZBQOSA-N 1 0 354.516 2.072 20 10 FECDRO Cc1nn(C)c2sc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc12 ZINC000832292750 680120594 /nfs/dbraw/zinc/12/05/94/680120594.db2.gz LPLPUOOTNMOQEL-OAHLLOKOSA-N 1 0 357.483 2.439 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(Br)c[nH]2)cc1 ZINC000832292765 680120735 /nfs/dbraw/zinc/12/07/35/680120735.db2.gz MBSPIIUKLBBRGH-ZDUSSCGKSA-N 1 0 351.248 2.273 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000835036940 680289486 /nfs/dbraw/zinc/28/94/86/680289486.db2.gz LYEFHFLBCYDDAS-PLNGDYQASA-N 1 0 351.516 2.027 20 10 FECDRO CON(C)C(=O)[C@H](CCSC)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041047 680289951 /nfs/dbraw/zinc/28/99/51/680289951.db2.gz JBDXOOLDPVFMHF-LXXRFIIISA-N 1 0 351.516 2.497 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000835052829 680291321 /nfs/dbraw/zinc/29/13/21/680291321.db2.gz HWNRFORQZZHOOI-DKFQHHCZSA-N 1 0 351.516 2.170 20 10 FECDRO C[C@H]1C[C@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000756512194 680482160 /nfs/dbraw/zinc/48/21/60/680482160.db2.gz XOTCTEXDMNSPLJ-FZMZJTMJSA-N 1 0 356.463 2.341 20 10 FECDRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000756688498 680492349 /nfs/dbraw/zinc/49/23/49/680492349.db2.gz OMNOMYSJZLXTEP-CQSZACIVSA-N 1 0 352.500 2.347 20 10 FECDRO COc1cc(N2CC[NH+](C[C@@H]3CCCOC3)CC2)cc(OC)c1OC ZINC000759887229 680671184 /nfs/dbraw/zinc/67/11/84/680671184.db2.gz TVAQWUHYFFGHKJ-HNNXBMFYSA-N 1 0 350.459 2.261 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CC2(N3CCOCC3)CC2)c1O ZINC000766225488 680870879 /nfs/dbraw/zinc/87/08/79/680870879.db2.gz QWZMGRLRQBJCKP-UHFFFAOYSA-N 1 0 371.275 2.118 20 10 FECDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000768445055 680947304 /nfs/dbraw/zinc/94/73/04/680947304.db2.gz FCNQGQKMRFTJQH-LLVKDONJSA-N 1 0 362.348 2.004 20 10 FECDRO CCOc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1 ZINC000842722613 680962236 /nfs/dbraw/zinc/96/22/36/680962236.db2.gz SDXUVZJZLKMZIS-HNNXBMFYSA-N 1 0 363.435 2.115 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000842784938 680966364 /nfs/dbraw/zinc/96/63/64/680966364.db2.gz DEHOMRSPTPCDOF-INIZCTEOSA-N 1 0 355.410 2.009 20 10 FECDRO Fc1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)ccc1N1CCOCC1 ZINC000769307024 680977290 /nfs/dbraw/zinc/97/72/90/680977290.db2.gz YVAJYXNGMPMILJ-INIZCTEOSA-N 1 0 350.434 2.247 20 10 FECDRO O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CC[NH2+]CC1 ZINC000843047281 680984643 /nfs/dbraw/zinc/98/46/43/680984643.db2.gz PZHOJTWELPCPLA-GFCCVEGCSA-N 1 0 372.296 2.343 20 10 FECDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000843124280 680989013 /nfs/dbraw/zinc/98/90/13/680989013.db2.gz WZJMORULXUOOCP-HNNXBMFYSA-N 1 0 359.392 2.108 20 10 FECDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc(Br)ccc1O ZINC000843123047 680989028 /nfs/dbraw/zinc/98/90/28/680989028.db2.gz YJIITAZEIICHHQ-ZDUSSCGKSA-N 1 0 351.248 2.035 20 10 FECDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846161691 681192408 /nfs/dbraw/zinc/19/24/08/681192408.db2.gz AWCSIIOATWZWJZ-CYBMUJFWSA-N 1 0 356.488 2.113 20 10 FECDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000846313723 681224424 /nfs/dbraw/zinc/22/44/24/681224424.db2.gz NPXBGRCTFILZRN-CQSZACIVSA-N 1 0 362.396 2.053 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000775373769 681301758 /nfs/dbraw/zinc/30/17/58/681301758.db2.gz WVXGUWYWEFLECQ-NXEZZACHSA-N 1 0 363.439 2.239 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000848535216 681573291 /nfs/dbraw/zinc/57/32/91/681573291.db2.gz BMCDMGPMYQQERV-RKDXNWHRSA-N 1 0 366.277 2.247 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=S)NCC3CC3)CC2)cc1 ZINC000849253248 681671692 /nfs/dbraw/zinc/67/16/92/681671692.db2.gz BSTLRNKULZMXAO-UHFFFAOYSA-N 1 0 362.543 2.081 20 10 FECDRO O=C1NCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000850342684 681887720 /nfs/dbraw/zinc/88/77/20/681887720.db2.gz IWSFYUSFMHRGFY-AWEZNQCLSA-N 1 0 352.276 2.418 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+]C3CC(CF)(CF)C3)CC2)cc1 ZINC000850428171 681900973 /nfs/dbraw/zinc/90/09/73/681900973.db2.gz CYPLJRXFMYYJLL-UHFFFAOYSA-N 1 0 353.457 2.495 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CC23CCC(CC2)C3)cc1 ZINC000850585921 681918534 /nfs/dbraw/zinc/91/85/34/681918534.db2.gz FBLXCSAAIMVKPM-ZCDVPAHGSA-N 1 0 351.516 2.252 20 10 FECDRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000786948136 682423360 /nfs/dbraw/zinc/42/33/60/682423360.db2.gz CWVNTQKVPCMZQX-ZDUSSCGKSA-N 1 0 372.918 2.262 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(C)(C)SC)CC2)cc1 ZINC000854309787 682535840 /nfs/dbraw/zinc/53/58/40/682535840.db2.gz NVVUTQSHWSTAIY-UHFFFAOYSA-N 1 0 365.543 2.465 20 10 FECDRO CN(CC[NH2+]Cc1ccc2c(c1)CCO2)S(=O)(=O)c1ccc(F)cc1 ZINC000797879808 683285210 /nfs/dbraw/zinc/28/52/10/683285210.db2.gz OFSYTQDEXJHXOK-UHFFFAOYSA-N 1 0 364.442 2.171 20 10 FECDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000861558608 683435315 /nfs/dbraw/zinc/43/53/15/683435315.db2.gz HSRCIKOIUPQIDL-GOSISDBHSA-N 1 0 362.543 2.379 20 10 FECDRO CC[C@@H]([NH2+]CCCS(=O)(=O)NC)c1ccc(C(F)(F)F)cc1O ZINC000866458458 684107173 /nfs/dbraw/zinc/10/71/73/684107173.db2.gz KOJJHKJHOUGACC-GFCCVEGCSA-N 1 0 354.394 2.391 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1 ZINC000866492549 684111208 /nfs/dbraw/zinc/11/12/08/684111208.db2.gz PNPPNMLROICUND-CSMYWGQOSA-N 1 0 368.499 2.444 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000925082524 684523318 /nfs/dbraw/zinc/52/33/18/684523318.db2.gz XDNORYQUXWYVGP-HNNXBMFYSA-N 1 0 353.532 2.211 20 10 FECDRO CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160288 684531810 /nfs/dbraw/zinc/53/18/10/684531810.db2.gz KXXIVPCQIXWUGB-WFASDCNBSA-N 1 0 353.413 2.371 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876698417 686246769 /nfs/dbraw/zinc/24/67/69/686246769.db2.gz HXHHGICZIDYQGK-JQWIXIFHSA-N 1 0 363.202 2.343 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000877592037 686418037 /nfs/dbraw/zinc/41/80/37/686418037.db2.gz KNONKKLEFLKNIV-OAHLLOKOSA-N 1 0 361.511 2.429 20 10 FECDRO Cc1cccc(O)c1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000877622362 686424232 /nfs/dbraw/zinc/42/42/32/686424232.db2.gz LVBGXGCHESBZQH-UHFFFAOYSA-N 1 0 364.243 2.378 20 10 FECDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877622691 686424409 /nfs/dbraw/zinc/42/44/09/686424409.db2.gz AZUIUDUUQOKUSU-XKPFWTEKSA-N 1 0 350.528 2.427 20 10 FECDRO COc1cc(N2CC[NH+](C[C@H]3CCO[C@@H]3C)CC2)cc(OC)c1OC ZINC000878430288 686583854 /nfs/dbraw/zinc/58/38/54/686583854.db2.gz BNYZOFSFFGYFTK-HUUCEWRRSA-N 1 0 350.459 2.259 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)CSc3ccncc3)cc2)CC1 ZINC000881849509 687233707 /nfs/dbraw/zinc/23/37/07/687233707.db2.gz PUTJCSMTJLIZRL-UHFFFAOYSA-N 1 0 356.495 2.242 20 10 FECDRO CN(Cc1nccs1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669423 688804735 /nfs/dbraw/zinc/80/47/35/688804735.db2.gz JKYCAUSJMDJQCS-UHFFFAOYSA-N 1 0 359.499 2.237 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891369176 689055312 /nfs/dbraw/zinc/05/53/12/689055312.db2.gz MMARVMCNKMKNPT-MSOLQXFVSA-N 1 0 360.527 2.276 20 10 FECDRO O=C(NCc1cccc(Br)c1O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892593575 689216292 /nfs/dbraw/zinc/21/62/92/689216292.db2.gz WMODVKXAGILRJD-LMKPVCQUSA-N 1 0 368.275 2.485 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)NCCc2cscn2)[NH+](C)C)cc1 ZINC000893748338 689397809 /nfs/dbraw/zinc/39/78/09/689397809.db2.gz BXULSLXKVMHKKE-QGZVFWFLSA-N 1 0 361.515 2.354 20 10 FECDRO COc1cc(C)cc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1O ZINC000894201145 689485417 /nfs/dbraw/zinc/48/54/17/689485417.db2.gz WSIGSUYICPVIFS-SFHVURJKSA-N 1 0 352.500 2.007 20 10 FECDRO COc1cc(C)cc(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)c1O ZINC000894476308 689540138 /nfs/dbraw/zinc/54/01/38/689540138.db2.gz WWPHUDVNYBZFEE-UHFFFAOYSA-N 1 0 354.447 2.028 20 10 FECDRO COCCOCC[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894786584 689596408 /nfs/dbraw/zinc/59/64/08/689596408.db2.gz KPHOSHBQRZHDBS-UHFFFAOYSA-N 1 0 352.406 2.199 20 10 FECDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000895797499 689772863 /nfs/dbraw/zinc/77/28/63/689772863.db2.gz HPVNKRSGZCHZMH-KDOFPFPSSA-N 1 0 361.463 2.494 20 10 FECDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c(O)c1OC ZINC000896398601 689868844 /nfs/dbraw/zinc/86/88/44/689868844.db2.gz WIPQFIXRKFGMJC-ACJLOTCBSA-N 1 0 350.415 2.120 20 10 FECDRO CSCC(C)(C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896444431 689875160 /nfs/dbraw/zinc/87/51/60/689875160.db2.gz JJQKGZDRJYIYLM-UHFFFAOYSA-N 1 0 350.532 2.379 20 10 FECDRO O=C1NCCN1CC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000897580719 690043332 /nfs/dbraw/zinc/04/33/32/690043332.db2.gz UEIDISAHODRRJY-UHFFFAOYSA-N 1 0 368.275 2.392 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000898723747 690237839 /nfs/dbraw/zinc/23/78/39/690237839.db2.gz INHWGSDIMLADDJ-LLVKDONJSA-N 1 0 352.232 2.464 20 10 FECDRO CCC[C@@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098514 690303365 /nfs/dbraw/zinc/30/33/65/690303365.db2.gz PFFPHYZCRUGOCU-FUHWJXTLSA-N 1 0 350.507 2.206 20 10 FECDRO CN(C)c1ccc([C@H](CN2C(=O)N[C@@](C)(CCF)C2=O)[NH+](C)C)cc1 ZINC000900184961 690480944 /nfs/dbraw/zinc/48/09/44/690480944.db2.gz IDAXHKPIPDEGBL-YJBOKZPZSA-N 1 0 350.438 2.025 20 10 FECDRO CCC[N@H+](CC(=O)Nc1c(C(=O)OCC)cnn1C)Cc1ccccc1O ZINC000067117184 541419206 /nfs/dbraw/zinc/41/92/06/541419206.db2.gz BOVCWOQZOFYNDH-UHFFFAOYSA-N 1 0 374.441 2.153 20 10 FECDRO COc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1O ZINC000073794016 542000785 /nfs/dbraw/zinc/00/07/85/542000785.db2.gz PKERAGHZIQMAPS-KRWDZBQOSA-N 1 0 357.454 2.373 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081557864 542664951 /nfs/dbraw/zinc/66/49/51/542664951.db2.gz YATGWNDOJMLZEL-DLBZAZTESA-N 1 0 361.461 2.153 20 10 FECDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000092665996 542879532 /nfs/dbraw/zinc/87/95/32/542879532.db2.gz BCIOGBGUQSPENE-IYBDPMFKSA-N 1 0 361.486 2.111 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)cc1 ZINC000104731288 543140597 /nfs/dbraw/zinc/14/05/97/543140597.db2.gz VHWJYDHFZFQVKK-QGZVFWFLSA-N 1 0 362.495 2.456 20 10 FECDRO C[N@H+](CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccccc1O ZINC000111235674 543388517 /nfs/dbraw/zinc/38/85/17/543388517.db2.gz MDFLNQGUVGULSH-UHFFFAOYSA-N 1 0 359.495 2.230 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000114751399 543535022 /nfs/dbraw/zinc/53/50/22/543535022.db2.gz OIZAPPYNFMYCBW-MRXNPFEDSA-N 1 0 371.403 2.417 20 10 FECDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000127841173 544017243 /nfs/dbraw/zinc/01/72/43/544017243.db2.gz KWZWSWBXNJCHNH-FUHWJXTLSA-N 1 0 372.513 2.290 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)c1ccncc1)cc2=O ZINC000127650999 544005728 /nfs/dbraw/zinc/00/57/28/544005728.db2.gz KHWDVACHMODAKZ-GFCCVEGCSA-N 1 0 355.398 2.200 20 10 FECDRO NC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000130061994 544137558 /nfs/dbraw/zinc/13/75/58/544137558.db2.gz ICINDZQDNWUPOV-AWEZNQCLSA-N 1 0 368.428 2.390 20 10 FECDRO COCCOCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260046 544300416 /nfs/dbraw/zinc/30/04/16/544300416.db2.gz ZLBMUYMYLWGJAR-MRXNPFEDSA-N 1 0 370.877 2.179 20 10 FECDRO C[C@@](O)(C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000804461351 674288191 /nfs/dbraw/zinc/28/81/91/674288191.db2.gz XNBPKCPMTLPCJQ-YJBOKZPZSA-N 1 0 352.862 2.287 20 10 FECDRO Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1C1CC[NH2+]CC1 ZINC000178710144 546836514 /nfs/dbraw/zinc/83/65/14/546836514.db2.gz OPWHREQVRICANZ-UHFFFAOYSA-N 1 0 368.485 2.041 20 10 FECDRO COc1ccc(N2CCC[N@H+](CCCNC(=O)C(F)(F)F)CC2)cc1 ZINC000179680815 546997383 /nfs/dbraw/zinc/99/73/83/546997383.db2.gz CONBSEMJKPROEK-UHFFFAOYSA-N 1 0 359.392 2.276 20 10 FECDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3cccc(C)c3O)CC2)CC1 ZINC000180073333 547047565 /nfs/dbraw/zinc/04/75/65/547047565.db2.gz NMADJHLHKHYVGK-UHFFFAOYSA-N 1 0 359.514 2.467 20 10 FECDRO COc1cc(O)c(C[N@H+](C)CC(C)(C)CN2CCOCC2)cc1OC ZINC000180548233 547128627 /nfs/dbraw/zinc/12/86/27/547128627.db2.gz NTKJNLOZHJINNH-UHFFFAOYSA-N 1 0 352.475 2.200 20 10 FECDRO CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000183593984 547686053 /nfs/dbraw/zinc/68/60/53/547686053.db2.gz CKDSZQWNDVPDAH-UHFFFAOYSA-N 1 0 372.444 2.178 20 10 FECDRO CC(=O)N1CCN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263711863 549923955 /nfs/dbraw/zinc/92/39/55/549923955.db2.gz UNYMHZSTEAJVGH-UHFFFAOYSA-N 1 0 353.466 2.313 20 10 FECDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)n1-c1cccc(C)c1 ZINC000264807577 550001405 /nfs/dbraw/zinc/00/14/05/550001405.db2.gz XNCFJDVXZCMGCE-LJQANCHMSA-N 1 0 354.498 2.378 20 10 FECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264806830 550001426 /nfs/dbraw/zinc/00/14/26/550001426.db2.gz VBTWYYLITPKBBH-HXUWFJFHSA-N 1 0 373.545 2.064 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3cccn3C)cc2F)CC1 ZINC000266540042 550021584 /nfs/dbraw/zinc/02/15/84/550021584.db2.gz KODYZEDNFDZBTP-UHFFFAOYSA-N 1 0 373.476 2.306 20 10 FECDRO Cc1nc([C@@H]2CCCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000268417457 550062145 /nfs/dbraw/zinc/06/21/45/550062145.db2.gz CATHCSXJPBODGU-QGZVFWFLSA-N 1 0 370.501 2.017 20 10 FECDRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269255129 550172972 /nfs/dbraw/zinc/17/29/72/550172972.db2.gz ROKRMVLUAAFBMP-ZQIUZPCESA-N 1 0 351.466 2.429 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)cc2F)C[C@@H](C)O1 ZINC000269365325 550185983 /nfs/dbraw/zinc/18/59/83/550185983.db2.gz VLSOMPGTMNZOPK-SXGZJXTBSA-N 1 0 363.477 2.445 20 10 FECDRO O=S1(=O)CCC(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000271307420 550363339 /nfs/dbraw/zinc/36/33/39/550363339.db2.gz QGFHPNGZTREUGC-QGZVFWFLSA-N 1 0 353.484 2.198 20 10 FECDRO C[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000273044362 550482152 /nfs/dbraw/zinc/48/21/52/550482152.db2.gz WQWXTUIPACLCLY-JZLODUJNSA-N 1 0 355.482 2.303 20 10 FECDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CC[NH+](C)CC1 ZINC000273301139 550493881 /nfs/dbraw/zinc/49/38/81/550493881.db2.gz BLKFJWWYTYVRAZ-WMLDXEAASA-N 1 0 350.463 2.223 20 10 FECDRO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000273460726 550499638 /nfs/dbraw/zinc/49/96/38/550499638.db2.gz HPFYQNMQJIIFKP-UHFFFAOYSA-N 1 0 364.423 2.475 20 10 FECDRO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(OCc2ccccc2)cc1O ZINC000273547581 550502520 /nfs/dbraw/zinc/50/25/20/550502520.db2.gz URIGQCQMRAOTAG-AEFFLSMTSA-N 1 0 357.406 2.079 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000277609986 550691402 /nfs/dbraw/zinc/69/14/02/550691402.db2.gz APJDGFDDLZNDCL-UHFFFAOYSA-N 1 0 372.513 2.197 20 10 FECDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278166055 550756467 /nfs/dbraw/zinc/75/64/67/550756467.db2.gz FFBXJALPOKXCNA-INIZCTEOSA-N 1 0 362.382 2.483 20 10 FECDRO CN(C)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)c(C(F)(F)F)c1 ZINC000279719322 550921111 /nfs/dbraw/zinc/92/11/11/550921111.db2.gz UKGWUHGMRHJNEA-UHFFFAOYSA-N 1 0 350.406 2.438 20 10 FECDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(O)c3O)nc2)CC1 ZINC000280025363 550953868 /nfs/dbraw/zinc/95/38/68/550953868.db2.gz XLZQZUPIGPDMET-UHFFFAOYSA-N 1 0 356.426 2.276 20 10 FECDRO CN(C)c1ccc(CNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000283500810 551377402 /nfs/dbraw/zinc/37/74/02/551377402.db2.gz NLJXNYITUXIORK-UHFFFAOYSA-N 1 0 374.529 2.141 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000284845429 551648790 /nfs/dbraw/zinc/64/87/90/551648790.db2.gz OQFYDGKAKGRNQL-KPAZRMRSSA-N 1 0 358.442 2.147 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000289360125 552307040 /nfs/dbraw/zinc/30/70/40/552307040.db2.gz IPIKTBXTGBIGTB-IRLDBZIGSA-N 1 0 366.509 2.404 20 10 FECDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1O ZINC000294681734 552926178 /nfs/dbraw/zinc/92/61/78/552926178.db2.gz BGFPCJCFZWMALY-OAHLLOKOSA-N 1 0 357.292 2.400 20 10 FECDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4nc(=O)[nH][nH]4)C3)cc2)CC1 ZINC000295220099 552970905 /nfs/dbraw/zinc/97/09/05/552970905.db2.gz QWCCKXVEAARCNT-INIZCTEOSA-N 1 0 371.485 2.093 20 10 FECDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(C)n1-c1ccccn1 ZINC000295357955 552993219 /nfs/dbraw/zinc/99/32/19/552993219.db2.gz FOSVYRPTEBTJEA-KRWDZBQOSA-N 1 0 356.470 2.066 20 10 FECDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC(=O)N2CCOCC2)cc1 ZINC000295512066 553019094 /nfs/dbraw/zinc/01/90/94/553019094.db2.gz UYIUWTOPMUQYJF-UHFFFAOYSA-N 1 0 359.495 2.333 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(F)ncc3F)CC2)cc1 ZINC000296441103 553160254 /nfs/dbraw/zinc/16/02/54/553160254.db2.gz NTBGWFNCGXVOSS-UHFFFAOYSA-N 1 0 362.424 2.280 20 10 FECDRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000297275785 553272146 /nfs/dbraw/zinc/27/21/46/553272146.db2.gz LAWKJJSZOGAWID-WMZOPIPTSA-N 1 0 365.493 2.160 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000298730202 553464999 /nfs/dbraw/zinc/46/49/99/553464999.db2.gz LNIHQRVZAHGCEK-UHFFFAOYSA-N 1 0 372.513 2.291 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1ccc(OC)cc1)cc2=O ZINC000298729748 553465149 /nfs/dbraw/zinc/46/51/49/553465149.db2.gz NQYMQJGUDOPMHU-UHFFFAOYSA-N 1 0 370.409 2.252 20 10 FECDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338940 555547900 /nfs/dbraw/zinc/54/79/00/555547900.db2.gz SHTRDQSZIAQXJI-NJAFHUGGSA-N 1 0 361.486 2.423 20 10 FECDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2cccc(O)c2O)C1 ZINC000365764402 555662776 /nfs/dbraw/zinc/66/27/76/555662776.db2.gz MNOWVBYQRSZXCX-UHFFFAOYSA-N 1 0 356.422 2.479 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)c1O ZINC000367076693 556001147 /nfs/dbraw/zinc/00/11/47/556001147.db2.gz BHCXNJYSLWUAFA-KRWDZBQOSA-N 1 0 362.470 2.298 20 10 FECDRO CCc1nc(CN2C[C@@H]3C[NH+]([C@@H](C)c4cc(OC)ccc4O)C[C@H]3C2)no1 ZINC000368017602 556196267 /nfs/dbraw/zinc/19/62/67/556196267.db2.gz HVUZCFXKTQLQDE-RRFJBIMHSA-N 1 0 372.469 2.471 20 10 FECDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2O1 ZINC000368033019 556199851 /nfs/dbraw/zinc/19/98/51/556199851.db2.gz BJKFCLNEEVOFNY-TUPIDYKKSA-N 1 0 354.406 2.467 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000369369126 556582140 /nfs/dbraw/zinc/58/21/40/556582140.db2.gz FIIVECZZMLODAY-SFHVURJKSA-N 1 0 373.545 2.063 20 10 FECDRO O=C1CCN(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000369917933 556729744 /nfs/dbraw/zinc/72/97/44/556729744.db2.gz FXUBTBFLRIZOPW-INIZCTEOSA-N 1 0 351.878 2.222 20 10 FECDRO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC(=O)N1C ZINC000370641627 556928326 /nfs/dbraw/zinc/92/83/26/556928326.db2.gz DTTKHMYUEVAYCV-LAUBAEHRSA-N 1 0 368.481 2.281 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCc3nn(C(C)C)c(=O)cc3C2)cc1OC ZINC000371415888 557179303 /nfs/dbraw/zinc/17/93/03/557179303.db2.gz DKBQWUYBBKSNIU-UHFFFAOYSA-N 1 0 359.426 2.105 20 10 FECDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000371554483 557220616 /nfs/dbraw/zinc/22/06/16/557220616.db2.gz QFLVPZFAXZXFEI-WESDXNOOSA-N 1 0 355.482 2.089 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)CC2)cc1 ZINC000375267163 558001642 /nfs/dbraw/zinc/00/16/42/558001642.db2.gz OTAXGMBFQOHAMQ-VQIMIIECSA-N 1 0 350.503 2.412 20 10 FECDRO COc1cccc(C[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1O ZINC000377625137 558380198 /nfs/dbraw/zinc/38/01/98/558380198.db2.gz QGTJTTYUWFRHGX-HNNXBMFYSA-N 1 0 358.442 2.415 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1 ZINC000377725059 558405776 /nfs/dbraw/zinc/40/57/76/558405776.db2.gz ZGICXCBWPUZNLA-DZKIICNBSA-N 1 0 362.449 2.398 20 10 FECDRO O=C1COc2cc([N+](=O)[O-])c(N3CCC([NH2+]C4CCCC4)CC3)cc2N1 ZINC000378157967 558492920 /nfs/dbraw/zinc/49/29/20/558492920.db2.gz JCRQHTYFJKUZTR-UHFFFAOYSA-N 1 0 360.414 2.427 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)c1O ZINC000378332153 558531854 /nfs/dbraw/zinc/53/18/54/558531854.db2.gz AVURWSMPJQWTEU-UHFFFAOYSA-N 1 0 363.502 2.213 20 10 FECDRO CC(C)[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(N)=O ZINC000435857366 559931286 /nfs/dbraw/zinc/93/12/86/559931286.db2.gz TYWDQPRYJFJKDQ-FQEVSTJZSA-N 1 0 370.497 2.034 20 10 FECDRO COCCOCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000443999122 560098865 /nfs/dbraw/zinc/09/88/65/560098865.db2.gz XVHNVFKZHFDPAY-UHFFFAOYSA-N 1 0 373.497 2.187 20 10 FECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000808226103 674447696 /nfs/dbraw/zinc/44/76/96/674447696.db2.gz GZNNQEXBSUJONV-CQSZACIVSA-N 1 0 368.499 2.003 20 10 FECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000809705770 674506239 /nfs/dbraw/zinc/50/62/39/674506239.db2.gz ZFBSCYAYNSYLEM-SJKOYZFVSA-N 1 0 367.833 2.007 20 10 FECDRO CC[NH+](CC)CCS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000810049284 674527331 /nfs/dbraw/zinc/52/73/31/674527331.db2.gz NCPZJHXHDIJWPJ-QGZVFWFLSA-N 1 0 370.515 2.045 20 10 FECDRO COc1ccc(O)c(CNC(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000812045445 674648559 /nfs/dbraw/zinc/64/85/59/674648559.db2.gz YNAHLQBUBZKOQO-UHFFFAOYSA-N 1 0 353.488 2.027 20 10 FECDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093610629 670754360 /nfs/dbraw/zinc/75/43/60/670754360.db2.gz MNAZAXNJNIRWNF-KRWDZBQOSA-N 1 0 350.484 2.004 20 10 FECDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000093685660 670754933 /nfs/dbraw/zinc/75/49/33/670754933.db2.gz OAOBVMNUPTWMGB-UHFFFAOYSA-N 1 0 361.511 2.471 20 10 FECDRO O=S(=O)(CC[NH2+]Cc1c(O)cccc1Cl)NCc1ccccc1 ZINC000113329092 670883540 /nfs/dbraw/zinc/88/35/40/670883540.db2.gz FRJZDIHLOGEWKL-UHFFFAOYSA-N 1 0 354.859 2.255 20 10 FECDRO COc1cc(Br)cc(C[N@H+](CCO)C2CCN(C)CC2)c1O ZINC000155496914 672234806 /nfs/dbraw/zinc/23/48/06/672234806.db2.gz MLTZJNFWDNKQAY-UHFFFAOYSA-N 1 0 373.291 2.052 20 10 FECDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000177732447 672385935 /nfs/dbraw/zinc/38/59/35/672385935.db2.gz XUGJTYRBUCQUIE-AWEZNQCLSA-N 1 0 372.560 2.281 20 10 FECDRO COc1ccc(O)c(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)c1 ZINC000182658392 672449814 /nfs/dbraw/zinc/44/98/14/672449814.db2.gz OGCGOTUQNABQEZ-UHFFFAOYSA-N 1 0 370.496 2.147 20 10 FECDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000183068077 672459818 /nfs/dbraw/zinc/45/98/18/672459818.db2.gz CXDUMHPNSKMZSL-LSDHHAIUSA-N 1 0 351.466 2.303 20 10 FECDRO COc1cc(N2CC[NH+](CCOCC3CC3)CC2)cc(OC)c1OC ZINC000183702921 672477438 /nfs/dbraw/zinc/47/74/38/672477438.db2.gz JNUCWLHIHAGRLV-UHFFFAOYSA-N 1 0 350.459 2.261 20 10 FECDRO C[NH+](C)CCCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000729523616 673238162 /nfs/dbraw/zinc/23/81/62/673238162.db2.gz SIZBGMJMNKTNKK-UHFFFAOYSA-N 1 0 351.466 2.135 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)cc1F ZINC000818985704 675249916 /nfs/dbraw/zinc/24/99/16/675249916.db2.gz YWWAJMFVIVBWMY-SFHVURJKSA-N 1 0 355.454 2.257 20 10 FECDRO Oc1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000824708960 675617367 /nfs/dbraw/zinc/61/73/67/675617367.db2.gz IXJHPXBUIUSVCW-CABCVRRESA-N 1 0 355.276 2.186 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)C2)cc1 ZINC000826846320 675710147 /nfs/dbraw/zinc/71/01/47/675710147.db2.gz SQMMPRLOQIRQLZ-VKJFTORMSA-N 1 0 352.500 2.219 20 10 FECDRO OCCOCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000827209696 675740235 /nfs/dbraw/zinc/74/02/35/675740235.db2.gz FNTVETARDGSBPA-UHFFFAOYSA-N 1 0 352.450 2.026 20 10 FECDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@]1(F)CC[NH2+]C1 ZINC000830665219 677053440 /nfs/dbraw/zinc/05/34/40/677053440.db2.gz QZIISRFVHGKBJX-PXAZEXFGSA-N 1 0 357.376 2.075 20 10 FECDRO O=S1(=O)CC[C@@H](CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000760855661 680703396 /nfs/dbraw/zinc/70/33/96/680703396.db2.gz HAQHIHIGNNPZRR-WBVHZDCISA-N 1 0 353.484 2.198 20 10 FECDRO CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761204928 680714935 /nfs/dbraw/zinc/71/49/35/680714935.db2.gz OYLMOWJHKGTNAF-UHFFFAOYSA-N 1 0 356.850 2.171 20 10 FECDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(OCC)cc2O)c1 ZINC000839147497 680741703 /nfs/dbraw/zinc/74/17/03/680741703.db2.gz KRQKELKJOKUWQC-UHFFFAOYSA-N 1 0 364.467 2.379 20 10 FECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cc1F ZINC000839171521 680742857 /nfs/dbraw/zinc/74/28/57/680742857.db2.gz AXTFYVZISFSUEP-QGZVFWFLSA-N 1 0 352.450 2.397 20 10 FECDRO COc1cc(N2CC[NH+](CCC3(O)CCC3)CC2)cc(OC)c1OC ZINC000839557006 680761255 /nfs/dbraw/zinc/76/12/55/680761255.db2.gz QREIKBPKELSFPW-UHFFFAOYSA-N 1 0 350.459 2.140 20 10 FECDRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000840891791 680849937 /nfs/dbraw/zinc/84/99/37/680849937.db2.gz ZJDMNKZTFDPRQR-UHFFFAOYSA-N 1 0 352.843 2.212 20 10 FECDRO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000841060085 680861543 /nfs/dbraw/zinc/86/15/43/680861543.db2.gz GICRCNMSJKCSEL-UHFFFAOYSA-N 1 0 364.496 2.100 20 10 FECDRO CCCC[C@H](COC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977356 680861912 /nfs/dbraw/zinc/86/19/12/680861912.db2.gz GLHHCWHDHIXSHF-QGZVFWFLSA-N 1 0 354.516 2.216 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831193410 679943864 /nfs/dbraw/zinc/94/38/64/679943864.db2.gz KFGLEZMKQXZTHL-CYBMUJFWSA-N 1 0 354.248 2.096 20 10 FECDRO CC(C)(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000749121458 680021610 /nfs/dbraw/zinc/02/16/10/680021610.db2.gz YULGOMIEHMSFCE-UHFFFAOYSA-N 1 0 369.487 2.498 20 10 FECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834880832 680279843 /nfs/dbraw/zinc/27/98/43/680279843.db2.gz IGCWKBAYXFVLGJ-ZSZQSSIHSA-N 1 0 352.450 2.364 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000835044760 680290413 /nfs/dbraw/zinc/29/04/13/680290413.db2.gz OYMLCTHYVZTDSL-BGYNLAARSA-N 1 0 351.516 2.073 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000835049842 680290911 /nfs/dbraw/zinc/29/09/11/680290911.db2.gz MQEPHXSDLXAYHI-GOVFWEMJSA-N 1 0 351.516 2.073 20 10 FECDRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(Br)ccc1O ZINC000756400071 680476732 /nfs/dbraw/zinc/47/67/32/680476732.db2.gz ASYHACFZWBEBJK-JTQLQIEISA-N 1 0 365.293 2.087 20 10 FECDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCCSc1nccs1 ZINC000759601112 680658071 /nfs/dbraw/zinc/65/80/71/680658071.db2.gz GZXZPNWKUGNLGZ-AWEZNQCLSA-N 1 0 372.560 2.378 20 10 FECDRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706003 680908102 /nfs/dbraw/zinc/90/81/02/680908102.db2.gz BHGOPHUCKIOXJD-MRXNPFEDSA-N 1 0 350.532 2.412 20 10 FECDRO [NH3+]C/C=C\CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841779272 680911687 /nfs/dbraw/zinc/91/16/87/680911687.db2.gz PKZIMZIRKDRQDD-UPHRSURJSA-N 1 0 354.401 2.071 20 10 FECDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1 ZINC000842784095 680966163 /nfs/dbraw/zinc/96/61/63/680966163.db2.gz GIZHGNNGIUALEI-MRXNPFEDSA-N 1 0 351.447 2.178 20 10 FECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1O ZINC000843058507 680985062 /nfs/dbraw/zinc/98/50/62/680985062.db2.gz UTJZIDYWUIJIMZ-YOEHRIQHSA-N 1 0 365.905 2.434 20 10 FECDRO Cc1cc(C)nc(SCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000843299800 680996783 /nfs/dbraw/zinc/99/67/83/680996783.db2.gz WSRRWTVGUOEGKG-INIZCTEOSA-N 1 0 359.499 2.068 20 10 FECDRO Cc1cc(C(=O)N[C@H](C)C[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843462876 681005038 /nfs/dbraw/zinc/00/50/38/681005038.db2.gz SWWCJBKFQQRVAO-SECBINFHSA-N 1 0 351.248 2.329 20 10 FECDRO CNC(=O)CCOC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000770285578 681011876 /nfs/dbraw/zinc/01/18/76/681011876.db2.gz DZVDNPQPAHUOLO-UHFFFAOYSA-N 1 0 371.275 2.272 20 10 FECDRO CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054690 681039611 /nfs/dbraw/zinc/03/96/11/681039611.db2.gz VKAYLDABBAMSPR-WFASDCNBSA-N 1 0 367.877 2.041 20 10 FECDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846161692 681192344 /nfs/dbraw/zinc/19/23/44/681192344.db2.gz AWCSIIOATWZWJZ-ZDUSSCGKSA-N 1 0 356.488 2.113 20 10 FECDRO C[NH+]1CCN(c2cc(C(=O)NCc3cc(Cl)ccc3O)ccn2)CC1 ZINC000846472923 681246361 /nfs/dbraw/zinc/24/63/61/681246361.db2.gz NXDGXBFMMAJSJY-UHFFFAOYSA-N 1 0 360.845 2.122 20 10 FECDRO Cc1cc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000932947501 681333558 /nfs/dbraw/zinc/33/35/58/681333558.db2.gz NFJLVRKYRZIKFK-QGZVFWFLSA-N 1 0 351.516 2.096 20 10 FECDRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000775832961 681340098 /nfs/dbraw/zinc/34/00/98/681340098.db2.gz DEESIHBCUCDUMB-ZDUSSCGKSA-N 1 0 360.483 2.491 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)C2CC2)c1O ZINC000848513928 681569039 /nfs/dbraw/zinc/56/90/39/681569039.db2.gz IWQZWFPYRFEOLA-VIFPVBQESA-N 1 0 357.248 2.340 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c1O ZINC000848531256 681572733 /nfs/dbraw/zinc/57/27/33/681572733.db2.gz MWSRFCOYSYBMBV-BXKDBHETSA-N 1 0 357.248 2.435 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCn2ccnn2)c1O ZINC000848545535 681575472 /nfs/dbraw/zinc/57/54/72/681575472.db2.gz YINOXGXNMIFVTG-JTQLQIEISA-N 1 0 355.236 2.496 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1O ZINC000848549797 681576188 /nfs/dbraw/zinc/57/61/88/681576188.db2.gz UNTMFTRLSUZTOS-SRVKXCTJSA-N 1 0 374.275 2.459 20 10 FECDRO CCS(=O)(=O)NCCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850101719 681850386 /nfs/dbraw/zinc/85/03/86/681850386.db2.gz UZHTVYPQIZTBBS-UHFFFAOYSA-N 1 0 358.504 2.117 20 10 FECDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000850355747 681890064 /nfs/dbraw/zinc/89/00/64/681890064.db2.gz JOTQCGRKZVUZRI-PKOBYXMFSA-N 1 0 366.527 2.215 20 10 FECDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000782776315 682081791 /nfs/dbraw/zinc/08/17/91/682081791.db2.gz BDYKFOLRBGCDFW-KBXCAEBGSA-N 1 0 352.450 2.100 20 10 FECDRO COc1cc(N2CC[NH+](CC[C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000783674612 682166240 /nfs/dbraw/zinc/16/62/40/682166240.db2.gz YKEXFXDDIIIVIA-OAHLLOKOSA-N 1 0 350.459 2.261 20 10 FECDRO COc1cc(N2CC[NH+]([C@H]3CC[C@H](OC)C3)CC2)cc(OC)c1OC ZINC000851935759 682188014 /nfs/dbraw/zinc/18/80/14/682188014.db2.gz GVNHNXUOICIFSD-HOCLYGCPSA-N 1 0 350.459 2.402 20 10 FECDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000852630768 682311302 /nfs/dbraw/zinc/31/13/02/682311302.db2.gz XSHXKIYSTMSUOG-CYBMUJFWSA-N 1 0 356.264 2.438 20 10 FECDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000852789408 682343266 /nfs/dbraw/zinc/34/32/66/682343266.db2.gz DSMDSDJVMSNLKH-OAHLLOKOSA-N 1 0 359.392 2.156 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852860578 682351341 /nfs/dbraw/zinc/35/13/41/682351341.db2.gz RNZKTGZMOZIKJI-MRXNPFEDSA-N 1 0 373.444 2.398 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCC(F)F)CC2)cc1 ZINC000792863901 682845014 /nfs/dbraw/zinc/84/50/14/682845014.db2.gz VDZPEYGGIWMPJR-UHFFFAOYSA-N 1 0 355.429 2.369 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c1O ZINC000857084366 682852752 /nfs/dbraw/zinc/85/27/52/682852752.db2.gz OLJYIDDXSBGAFR-JOYOIKCWSA-N 1 0 357.248 2.435 20 10 FECDRO CS(=O)(=O)CC1(C[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000858180011 682941444 /nfs/dbraw/zinc/94/14/44/682941444.db2.gz ZCRHBHVDSXAMKI-UHFFFAOYSA-N 1 0 362.289 2.459 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1F ZINC000858224403 682946478 /nfs/dbraw/zinc/94/64/78/682946478.db2.gz FIXWTDDKVQKXFB-SFHVURJKSA-N 1 0 350.482 2.101 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@@H](O)CCC3(O)CCC3)CC2)cc1F ZINC000929824693 683643854 /nfs/dbraw/zinc/64/38/54/683643854.db2.gz XXOVFRBEYRHPPR-INIZCTEOSA-N 1 0 352.450 2.012 20 10 FECDRO CS(=O)(=O)C1CCC(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000922421765 683719834 /nfs/dbraw/zinc/71/98/34/683719834.db2.gz MDWGHUIJZDSDSR-UHFFFAOYSA-N 1 0 366.527 2.216 20 10 FECDRO Cc1cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000863582373 683746446 /nfs/dbraw/zinc/74/64/46/683746446.db2.gz HOIPWXATPBVWOB-UHFFFAOYSA-N 1 0 362.495 2.123 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCS(=O)(=O)CC3)C2)cc1 ZINC000873132191 685078387 /nfs/dbraw/zinc/07/83/87/685078387.db2.gz KYOVIKWBSGKKNO-HZPDHXFCSA-N 1 0 352.500 2.078 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(OC(F)F)nc2)cc1 ZINC000911668267 685241623 /nfs/dbraw/zinc/24/16/23/685241623.db2.gz XJJJTGHGBOHZND-CQSZACIVSA-N 1 0 350.369 2.179 20 10 FECDRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCCSc1nccs1 ZINC000876661412 686238950 /nfs/dbraw/zinc/23/89/50/686238950.db2.gz DJQGVBNKSWEXHC-ZDUSSCGKSA-N 1 0 365.528 2.485 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(C[NH3+])nc1 ZINC000876698286 686246664 /nfs/dbraw/zinc/24/66/64/686246664.db2.gz HFZHXHKIDXZQMM-UHFFFAOYSA-N 1 0 365.231 2.066 20 10 FECDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000877030415 686314656 /nfs/dbraw/zinc/31/46/56/686314656.db2.gz FYTKYMHJQNRSNF-UHFFFAOYSA-N 1 0 360.479 2.225 20 10 FECDRO O[C@@H]([C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571645 686411910 /nfs/dbraw/zinc/41/19/10/686411910.db2.gz GVQRKFIJBIKUAV-PBHICJAKSA-N 1 0 358.404 2.393 20 10 FECDRO C[NH+](C)C1CCN(CC[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000883027462 687549582 /nfs/dbraw/zinc/54/95/82/687549582.db2.gz BZKOILOECSTMFP-UHFFFAOYSA-N 1 0 374.298 2.409 20 10 FECDRO CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883160264 687579118 /nfs/dbraw/zinc/57/91/18/687579118.db2.gz KVQUWYACRFHRIA-CYBMUJFWSA-N 1 0 363.271 2.476 20 10 FECDRO Cc1ncsc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883330721 687608680 /nfs/dbraw/zinc/60/86/80/687608680.db2.gz KGGKDTGYUYCTQK-UHFFFAOYSA-N 1 0 359.499 2.203 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000883369965 687616626 /nfs/dbraw/zinc/61/66/26/687616626.db2.gz DEWOEGCJJFLHKY-WBVHZDCISA-N 1 0 367.921 2.493 20 10 FECDRO Cc1nn(C)c(Cl)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255993 689040729 /nfs/dbraw/zinc/04/07/29/689040729.db2.gz USLWCPXKNIOTLI-OAHLLOKOSA-N 1 0 363.893 2.481 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNCc3nnc(C)s3)CC2)cc1 ZINC000892462378 689199440 /nfs/dbraw/zinc/19/94/40/689199440.db2.gz PLISPQYWZGFFDV-UHFFFAOYSA-N 1 0 361.515 2.157 20 10 FECDRO [NH3+]CC12CCC(CC1)N2C(=O)NCc1cccc(Br)c1O ZINC000892469506 689200270 /nfs/dbraw/zinc/20/02/70/689200270.db2.gz SCNDNDLJGZKPMX-UHFFFAOYSA-N 1 0 354.248 2.320 20 10 FECDRO C[C@H]1CN(c2ccc(C[NH2+]C3CC(S(C)(=O)=O)C3)cc2F)C[C@H](C)O1 ZINC000892621505 689219866 /nfs/dbraw/zinc/21/98/66/689219866.db2.gz JQRVFOSIGBLAIX-VRLRAXNCSA-N 1 0 370.490 2.105 20 10 FECDRO CCOC(=O)c1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000892668881 689225883 /nfs/dbraw/zinc/22/58/83/689225883.db2.gz SVTGVFVVEIKMLP-UHFFFAOYSA-N 1 0 361.467 2.446 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000892812933 689246952 /nfs/dbraw/zinc/24/69/52/689246952.db2.gz NXGVCTHQAXPUGO-GJZGRUSLSA-N 1 0 352.500 2.077 20 10 FECDRO COc1cc(C)cc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1O ZINC000894201144 689485263 /nfs/dbraw/zinc/48/52/63/689485263.db2.gz WSIGSUYICPVIFS-GOSISDBHSA-N 1 0 352.500 2.007 20 10 FECDRO COc1ccc(C[NH2+]Cc2ccccc2S(C)(=O)=O)c(O)c1OC ZINC000894901764 689616081 /nfs/dbraw/zinc/61/60/81/689616081.db2.gz BMJARUDEJCTUSR-UHFFFAOYSA-N 1 0 351.424 2.103 20 10 FECDRO COc1c(O)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895837957 689778306 /nfs/dbraw/zinc/77/83/06/689778306.db2.gz YTOFQKHEDGIXTO-ZDUSSCGKSA-N 1 0 350.293 2.056 20 10 FECDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903230929 690871986 /nfs/dbraw/zinc/87/19/86/690871986.db2.gz ILNKEQOWHOBLRJ-MRXNPFEDSA-N 1 0 351.466 2.035 20 10 FECDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000906082459 691229628 /nfs/dbraw/zinc/22/96/28/691229628.db2.gz ROKRMVLUAAFBMP-GRDNDAEWSA-N 1 0 351.466 2.429 20 10 FECDRO CCOc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c(O)c1 ZINC000800537917 674060874 /nfs/dbraw/zinc/06/08/74/674060874.db2.gz LJNDOWLTXCTAIK-UHFFFAOYSA-N 1 0 368.499 2.181 20 10 FECDRO CC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Br)ccc1O ZINC000068800797 541629756 /nfs/dbraw/zinc/62/97/56/541629756.db2.gz WQXXNFPCLGENHH-HIFRSBDPSA-N 1 0 356.308 2.441 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000076777450 542321892 /nfs/dbraw/zinc/32/18/92/542321892.db2.gz LLCYETYZSQRYLU-UHFFFAOYSA-N 1 0 360.502 2.006 20 10 FECDRO NC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000130062173 544137522 /nfs/dbraw/zinc/13/75/22/544137522.db2.gz ICINDZQDNWUPOV-CQSZACIVSA-N 1 0 368.428 2.390 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000151073745 544502336 /nfs/dbraw/zinc/50/23/36/544502336.db2.gz AIIVWLAKMLBPQZ-INIZCTEOSA-N 1 0 364.453 2.350 20 10 FECDRO C[C@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccccc1O ZINC000154181441 544873628 /nfs/dbraw/zinc/87/36/28/544873628.db2.gz KPGAKMXLHPGTIH-AWEZNQCLSA-N 1 0 354.454 2.340 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000805137354 674322078 /nfs/dbraw/zinc/32/20/78/674322078.db2.gz OIAMAPNOKWUGHU-CQSZACIVSA-N 1 0 368.275 2.438 20 10 FECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000157062110 545695283 /nfs/dbraw/zinc/69/52/83/545695283.db2.gz OBJMFLXRSMBXTC-LLVKDONJSA-N 1 0 361.364 2.381 20 10 FECDRO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000165185301 546152608 /nfs/dbraw/zinc/15/26/08/546152608.db2.gz HUUMOEVRHNTBLA-OXQOHEQNSA-N 1 0 353.466 2.476 20 10 FECDRO C[NH+](C)C1CCN(CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000175634553 546324985 /nfs/dbraw/zinc/32/49/85/546324985.db2.gz IUVSIJNXNILOSK-UHFFFAOYSA-N 1 0 373.545 2.112 20 10 FECDRO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cc(F)ccc1O ZINC000184981122 547910912 /nfs/dbraw/zinc/91/09/12/547910912.db2.gz KOWNPODNZOXLMW-OAHLLOKOSA-N 1 0 359.449 2.184 20 10 FECDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cccc(O)c3O)CC2)C[C@H](C)O1 ZINC000187170050 548252700 /nfs/dbraw/zinc/25/27/00/548252700.db2.gz NTHCZTMJSNLLTP-GJZGRUSLSA-N 1 0 362.470 2.449 20 10 FECDRO CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157736 548318560 /nfs/dbraw/zinc/31/85/60/548318560.db2.gz KDICTWLDCFKXPE-MSOLQXFVSA-N 1 0 358.442 2.177 20 10 FECDRO COc1cccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000190310560 548322141 /nfs/dbraw/zinc/32/21/41/548322141.db2.gz UXAVMNWAEZUGMZ-NRFANRHFSA-N 1 0 356.466 2.470 20 10 FECDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)C1=O ZINC000191640385 548347796 /nfs/dbraw/zinc/34/77/96/548347796.db2.gz IHUMFOMZSGYXGU-KRWDZBQOSA-N 1 0 353.470 2.181 20 10 FECDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000246881327 549233622 /nfs/dbraw/zinc/23/36/22/549233622.db2.gz BBWRLTIYLFTLSH-QFBILLFUSA-N 1 0 355.486 2.148 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000264658862 549999837 /nfs/dbraw/zinc/99/98/37/549999837.db2.gz SPLZEPJMTMPLNX-VMPITWQZSA-N 1 0 355.482 2.091 20 10 FECDRO COc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1O ZINC000265826176 550014496 /nfs/dbraw/zinc/01/44/96/550014496.db2.gz YXWYUVOGCIYJDT-MOPGFXCFSA-N 1 0 356.466 2.373 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCSC3)cc2F)CC1 ZINC000266472225 550020832 /nfs/dbraw/zinc/02/08/32/550020832.db2.gz AVPIXFKMHPPIII-OAHLLOKOSA-N 1 0 366.506 2.272 20 10 FECDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000266969236 550025840 /nfs/dbraw/zinc/02/58/40/550025840.db2.gz DGTCJEYKJPLCEH-UHFFFAOYSA-N 1 0 370.497 2.069 20 10 FECDRO C[NH2+]CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000269156553 550161845 /nfs/dbraw/zinc/16/18/45/550161845.db2.gz XHLWGIYLXLCKQT-BENRWUELSA-N 1 0 369.537 2.065 20 10 FECDRO [NH3+][C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000269185883 550165451 /nfs/dbraw/zinc/16/54/51/550165451.db2.gz SQQVRHNGKTZZGV-OJLWIZQOSA-N 1 0 351.450 2.353 20 10 FECDRO CC[C@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)c1nccn1C ZINC000271651297 550392410 /nfs/dbraw/zinc/39/24/10/550392410.db2.gz BGJGMJYVFMWSGD-IBGZPJMESA-N 1 0 357.502 2.292 20 10 FECDRO O=C(NCc1ccc(N2CCCC2)cc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000277062093 550627492 /nfs/dbraw/zinc/62/74/92/550627492.db2.gz PEMKQHKNKNNEQB-GOSISDBHSA-N 1 0 353.470 2.338 20 10 FECDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cccc(OC)c3O)CC2)n1 ZINC000278616662 550804790 /nfs/dbraw/zinc/80/47/90/550804790.db2.gz GYSXDTRXKQARHG-UHFFFAOYSA-N 1 0 360.414 2.075 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NCC(F)F)c1O ZINC000280830528 551036975 /nfs/dbraw/zinc/03/69/75/551036975.db2.gz KZMPHPHEYMJJHF-QMMMGPOBSA-N 1 0 351.191 2.495 20 10 FECDRO COCCCn1nccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000282624203 551253229 /nfs/dbraw/zinc/25/32/29/551253229.db2.gz JTFGMCPUBTVXMV-UHFFFAOYSA-N 1 0 362.449 2.185 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000288070051 552085099 /nfs/dbraw/zinc/08/50/99/552085099.db2.gz VHBNPZSUZQGICM-OAHLLOKOSA-N 1 0 361.486 2.120 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000289360124 552307035 /nfs/dbraw/zinc/30/70/35/552307035.db2.gz IPIKTBXTGBIGTB-IFMALSPDSA-N 1 0 366.509 2.404 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCn2cc(CO)nn2)c1O ZINC000289922784 552400323 /nfs/dbraw/zinc/40/03/23/552400323.db2.gz VANQPDHMUNIHCB-NSHDSACASA-N 1 0 369.263 2.288 20 10 FECDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000289926918 552400938 /nfs/dbraw/zinc/40/09/38/552400938.db2.gz KRJQFIGQVIOOTC-UXHICEINSA-N 1 0 359.514 2.146 20 10 FECDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccccc3O)C2=O)c(OC)c1 ZINC000289939499 552402711 /nfs/dbraw/zinc/40/27/11/552402711.db2.gz BAJXUVDTURMWRK-KRWDZBQOSA-N 1 0 356.422 2.300 20 10 FECDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000293665916 552845322 /nfs/dbraw/zinc/84/53/22/552845322.db2.gz OIGDTNPNWRNNSQ-GOEBONIOSA-N 1 0 355.276 2.450 20 10 FECDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)[C@H]2C1 ZINC000293879436 552864768 /nfs/dbraw/zinc/86/47/68/552864768.db2.gz KYOQXRHNGXMFGN-RBUKOAKNSA-N 1 0 368.481 2.424 20 10 FECDRO COc1c(O)c(C[NH2+]C2(C(=O)N(C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000295129032 552961700 /nfs/dbraw/zinc/96/17/00/552961700.db2.gz YEWFWEREKXCMQC-UHFFFAOYSA-N 1 0 351.403 2.190 20 10 FECDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](NC(=O)NC4CC4)C3)cc2)CC1 ZINC000295685138 553044518 /nfs/dbraw/zinc/04/45/18/553044518.db2.gz HQAWINUHFUFZPO-GOSISDBHSA-N 1 0 372.513 2.338 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297081902 553251200 /nfs/dbraw/zinc/25/12/00/553251200.db2.gz PAXKJVOOYRNNSQ-CTXDPNEZSA-N 1 0 372.513 2.290 20 10 FECDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000297334074 553279574 /nfs/dbraw/zinc/27/95/74/553279574.db2.gz JQFZVCDLGVJUNS-QGZVFWFLSA-N 1 0 360.502 2.149 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000297622882 553316644 /nfs/dbraw/zinc/31/66/44/553316644.db2.gz IZRIJKARIISYPD-APWZRJJASA-N 1 0 355.486 2.309 20 10 FECDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000299469534 553567467 /nfs/dbraw/zinc/56/74/67/553567467.db2.gz UXERASZGKDIGFR-CYBMUJFWSA-N 1 0 371.503 2.004 20 10 FECDRO C[NH+]1CCN(Cc2ccc(CNC(=O)NCc3ccccc3O)cc2)CC1 ZINC000299554088 553580283 /nfs/dbraw/zinc/58/02/83/553580283.db2.gz YIIKDQYUJJDRPI-UHFFFAOYSA-N 1 0 368.481 2.139 20 10 FECDRO COc1ccc(N2CCN(c3nc(C(C)C)nc(N(C)C)n3)CC2)cc1 ZINC000301937499 553692990 /nfs/dbraw/zinc/69/29/90/553692990.db2.gz RYTDYTQOUAJFOM-UHFFFAOYSA-N 1 0 356.474 2.396 20 10 FECDRO Cn1nncc1C[NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000360021404 554859713 /nfs/dbraw/zinc/85/97/13/554859713.db2.gz NQLPUNQYLXQOCN-LBPRGKRZSA-N 1 0 355.364 2.330 20 10 FECDRO COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c1O ZINC000364900806 555431343 /nfs/dbraw/zinc/43/13/43/555431343.db2.gz LBVUGTKOTHCMPR-ZDUSSCGKSA-N 1 0 358.442 2.205 20 10 FECDRO CCn1ccnc(N2CCC([NH2+]Cc3ccc4c(c3)CCN4C)CC2)c1=O ZINC000365100153 555485518 /nfs/dbraw/zinc/48/55/18/555485518.db2.gz OADZRAWZFANNAU-UHFFFAOYSA-N 1 0 367.497 2.014 20 10 FECDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338941 555547799 /nfs/dbraw/zinc/54/77/99/555547799.db2.gz SHTRDQSZIAQXJI-NXHRZFHOSA-N 1 0 361.486 2.423 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1OC ZINC000368226063 556252908 /nfs/dbraw/zinc/25/29/08/556252908.db2.gz JUBIZRHYLXESJJ-YJBOKZPZSA-N 1 0 351.443 2.209 20 10 FECDRO CN(C)c1ccc(C[N@H+](C2CC2)[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000369484716 556609188 /nfs/dbraw/zinc/60/91/88/556609188.db2.gz NPOUBKCYNABSFL-HXUWFJFHSA-N 1 0 357.498 2.497 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000369882114 556720322 /nfs/dbraw/zinc/72/03/22/556720322.db2.gz FRRPXPAKPABGGZ-AWEZNQCLSA-N 1 0 362.470 2.469 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCCN(c3nccc(OC)n3)CC2)c1O ZINC000371420895 557181661 /nfs/dbraw/zinc/18/16/61/557181661.db2.gz IFZQJHRPIUHIGL-UHFFFAOYSA-N 1 0 358.442 2.302 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC[N@@H+](C3CCOCC3)CC2)c1O ZINC000371861477 557314030 /nfs/dbraw/zinc/31/40/30/557314030.db2.gz ROPZNLFHBAQQKP-UHFFFAOYSA-N 1 0 350.434 2.421 20 10 FECDRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1cccnc1 ZINC000372409334 557463295 /nfs/dbraw/zinc/46/32/95/557463295.db2.gz RPMMLMUAKAEBPH-ALTJJMMQSA-N 1 0 353.422 2.315 20 10 FECDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000376062644 558121454 /nfs/dbraw/zinc/12/14/54/558121454.db2.gz UKCQLCOGOCVERA-FQEVSTJZSA-N 1 0 352.482 2.214 20 10 FECDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccc(N(C)C)c(F)c4)C[C@H]3C2)no1 ZINC000378347094 558534725 /nfs/dbraw/zinc/53/47/25/558534725.db2.gz BZBXAZMOZKXVTE-HOTGVXAUSA-N 1 0 373.476 2.401 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000378402998 558548666 /nfs/dbraw/zinc/54/86/66/558548666.db2.gz MTTTVRJGDMGGMG-ZZXKWVIFSA-N 1 0 355.482 2.139 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)c1ccccc1O ZINC000378626187 558596475 /nfs/dbraw/zinc/59/64/75/558596475.db2.gz RRZFVQOVEQVOHZ-GJZGRUSLSA-N 1 0 352.442 2.397 20 10 FECDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c2c1c(F)ccc2O ZINC000527955339 562309400 /nfs/dbraw/zinc/30/94/00/562309400.db2.gz NPAPXKCTMJYPBR-IAMHBRQHSA-N 1 0 364.461 2.285 20 10 FECDRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)Cc1ccccc1O ZINC000737033713 598986378 /nfs/dbraw/zinc/98/63/78/598986378.db2.gz YHKUWVZWGMPIRO-UHFFFAOYSA-N 1 0 355.398 2.092 20 10 FECDRO CN(CCC[N@H+](C)Cc1cccc(Br)c1[O-])CC[NH+](C)C ZINC000809787996 674509999 /nfs/dbraw/zinc/50/99/99/674509999.db2.gz LFILZXWWXNGDQX-UHFFFAOYSA-N 1 0 358.324 2.470 20 10 FECDRO CC[NH+](CC)CCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000810043586 674526859 /nfs/dbraw/zinc/52/68/59/674526859.db2.gz YLTNFXZGQUEWQE-UHFFFAOYSA-N 1 0 353.532 2.389 20 10 FECDRO CN(C)c1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000825880191 608514666 /nfs/dbraw/zinc/51/46/66/608514666.db2.gz XRQSZSZVRJBYRF-UHFFFAOYSA-N 1 0 363.469 2.255 20 10 FECDRO Cc1cc(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)ccc1N(C)C ZINC000815094954 674916771 /nfs/dbraw/zinc/91/67/71/674916771.db2.gz QCGIERNTIHLQMQ-UHFFFAOYSA-N 1 0 351.491 2.380 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1N(C)C ZINC000815117212 674920764 /nfs/dbraw/zinc/92/07/64/674920764.db2.gz AJUFYXFMAALKDE-KRWDZBQOSA-N 1 0 365.543 2.355 20 10 FECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000815117592 674920798 /nfs/dbraw/zinc/92/07/98/674920798.db2.gz HSJJHLHXFMISMV-QGZVFWFLSA-N 1 0 365.543 2.437 20 10 FECDRO Fc1cc(C[NH+]2CCC3(CC2)OCCCO3)ccc1N1CCOCC1 ZINC000816646138 675070749 /nfs/dbraw/zinc/07/07/49/675070749.db2.gz YFWBAMLHVHKZLK-UHFFFAOYSA-N 1 0 350.434 2.391 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1F ZINC000113329088 670883477 /nfs/dbraw/zinc/88/34/77/670883477.db2.gz WBLVOJNPEGVFSX-UHFFFAOYSA-N 1 0 365.474 2.101 20 10 FECDRO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130883449 672080752 /nfs/dbraw/zinc/08/07/52/672080752.db2.gz DXJVRTUHAKNUEH-UONOGXRCSA-N 1 0 353.413 2.373 20 10 FECDRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151462546 672163483 /nfs/dbraw/zinc/16/34/83/672163483.db2.gz WFJQSMPUXBHAKC-NVXWUHKLSA-N 1 0 354.466 2.346 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000158289914 672268030 /nfs/dbraw/zinc/26/80/30/672268030.db2.gz QQGIUDTZQCGJOY-UHFFFAOYSA-N 1 0 353.513 2.224 20 10 FECDRO COCCCNC(=O)C1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000159914811 672286511 /nfs/dbraw/zinc/28/65/11/672286511.db2.gz RHQIHRSGTOLZNT-UHFFFAOYSA-N 1 0 350.459 2.074 20 10 FECDRO COc1cc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164012504 672311627 /nfs/dbraw/zinc/31/16/27/672311627.db2.gz UFHVYOLMFVGPQK-CQSZACIVSA-N 1 0 370.515 2.212 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3nncs3)cc2F)CC1 ZINC000171687171 672334844 /nfs/dbraw/zinc/33/48/44/672334844.db2.gz AJDJPFFGQMIINV-UHFFFAOYSA-N 1 0 364.450 2.141 20 10 FECDRO O=S(=O)(N[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1cccc(F)c1 ZINC000179569892 672403415 /nfs/dbraw/zinc/40/34/15/672403415.db2.gz CPJBXTXUMQECQH-MRXNPFEDSA-N 1 0 364.442 2.474 20 10 FECDRO COc1ccc(O)c(C[N@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000180477330 672414302 /nfs/dbraw/zinc/41/43/02/672414302.db2.gz AWTYAJMIBSFCLY-UHFFFAOYSA-N 1 0 364.467 2.120 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@@H](C)C3CCS(=O)(=O)CC3)CC2)cc1 ZINC000187140634 672562662 /nfs/dbraw/zinc/56/26/62/672562662.db2.gz UBSNAXHJHQWTOZ-HNNXBMFYSA-N 1 0 366.527 2.467 20 10 FECDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(N2CCOCC2)cc1 ZINC000727080722 673154237 /nfs/dbraw/zinc/15/42/37/673154237.db2.gz YCPULVGTLWIVSM-UHFFFAOYSA-N 1 0 364.559 2.075 20 10 FECDRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C1=CC(=O)CS1 ZINC000731869630 673345986 /nfs/dbraw/zinc/34/59/86/673345986.db2.gz UQJIXPKZGDLBPG-UHFFFAOYSA-N 1 0 359.495 2.391 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734269578 673458435 /nfs/dbraw/zinc/45/84/35/673458435.db2.gz GPVNSFULUYUBJH-INIZCTEOSA-N 1 0 360.527 2.276 20 10 FECDRO C[C@@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)S(C)(=O)=O ZINC000819120169 675262419 /nfs/dbraw/zinc/26/24/19/675262419.db2.gz MZXUDOJKTJSWBE-QWHCGFSZSA-N 1 0 362.442 2.280 20 10 FECDRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824423099 675601114 /nfs/dbraw/zinc/60/11/14/675601114.db2.gz LKHRIKKNQPKWGY-UHFFFAOYSA-N 1 0 367.540 2.366 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000824737942 675619205 /nfs/dbraw/zinc/61/92/05/675619205.db2.gz HFVFZJIGYPFZMR-UHFFFAOYSA-N 1 0 364.467 2.331 20 10 FECDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000825412742 675651546 /nfs/dbraw/zinc/65/15/46/675651546.db2.gz NVMKUDXPQQXPGO-ZDUSSCGKSA-N 1 0 358.232 2.166 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Cl ZINC000825886460 675672637 /nfs/dbraw/zinc/67/26/37/675672637.db2.gz PFBRHHLVZMJVCD-SJKOYZFVSA-N 1 0 351.834 2.307 20 10 FECDRO COCC[N@H+](C)CCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000827019067 675723868 /nfs/dbraw/zinc/72/38/68/675723868.db2.gz DDXQLRTTWUSPCW-UHFFFAOYSA-N 1 0 362.499 2.014 20 10 FECDRO Cc1ccn(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000827096145 675728786 /nfs/dbraw/zinc/72/87/86/675728786.db2.gz RLTRMAMNDLHMGD-INIZCTEOSA-N 1 0 362.861 2.331 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827141605 675733306 /nfs/dbraw/zinc/73/33/06/675733306.db2.gz VCRANLKBZGMELJ-MFKMUULPSA-N 1 0 369.259 2.264 20 10 FECDRO [NH3+]C1CCC(OCC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000827320112 675747938 /nfs/dbraw/zinc/74/79/38/675747938.db2.gz FFCJSZQCGRVXTB-UHFFFAOYSA-N 1 0 363.527 2.143 20 10 FECDRO C[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[N@@H+]1C1CC1 ZINC000762097449 680740438 /nfs/dbraw/zinc/74/04/38/680740438.db2.gz TXYVAMWOZWKVLJ-XHDPSFHLSA-N 1 0 363.845 2.435 20 10 FECDRO COCCNC(=O)C1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000839193075 680743937 /nfs/dbraw/zinc/74/39/37/680743937.db2.gz OJBSWWBHTQYAQA-UHFFFAOYSA-N 1 0 359.392 2.156 20 10 FECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000765794522 680855320 /nfs/dbraw/zinc/85/53/20/680855320.db2.gz CYSNMKKQWLNHPI-RYUDHWBXSA-N 1 0 357.248 2.168 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ncccc2Br)cc1 ZINC000832280718 680119474 /nfs/dbraw/zinc/11/94/74/680119474.db2.gz QMENOHNQBJPLSS-AWEZNQCLSA-N 1 0 363.259 2.340 20 10 FECDRO COC(=O)c1cnc(SC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000834382166 680219835 /nfs/dbraw/zinc/21/98/35/680219835.db2.gz FOZNWSMEPFIQHC-AWEZNQCLSA-N 1 0 364.492 2.441 20 10 FECDRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834803279 680270240 /nfs/dbraw/zinc/27/02/40/680270240.db2.gz OWQPUEBVCSTLTN-DOTOQJQBSA-N 1 0 358.463 2.432 20 10 FECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834880829 680279599 /nfs/dbraw/zinc/27/95/99/680279599.db2.gz IGCWKBAYXFVLGJ-IDHHARJASA-N 1 0 352.450 2.364 20 10 FECDRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000834906867 680281518 /nfs/dbraw/zinc/28/15/18/680281518.db2.gz IKBKZFXXKOIBDH-MELADBBJSA-N 1 0 351.878 2.481 20 10 FECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000835054157 680291350 /nfs/dbraw/zinc/29/13/50/680291350.db2.gz NRKZFOATXVEOJH-WSGSOLELSA-N 1 0 363.527 2.266 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000835054018 680291605 /nfs/dbraw/zinc/29/16/05/680291605.db2.gz QWYWJHJAYFBPHH-BUPXIBQPSA-N 1 0 365.543 2.463 20 10 FECDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000756446568 680479529 /nfs/dbraw/zinc/47/95/29/680479529.db2.gz SCCGRAUWMTYNNX-LBPRGKRZSA-N 1 0 352.431 2.431 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000756488151 680481094 /nfs/dbraw/zinc/48/10/94/680481094.db2.gz LDRHWEYFDJGGMV-CJNGLKHVSA-N 1 0 352.500 2.346 20 10 FECDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000766186609 680869571 /nfs/dbraw/zinc/86/95/71/680869571.db2.gz YKRCHQLBATXLOI-UGSOOPFHSA-N 1 0 364.877 2.294 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1F ZINC000767184136 680901945 /nfs/dbraw/zinc/90/19/45/680901945.db2.gz OEAFUTKZTBYBNU-HNNXBMFYSA-N 1 0 351.466 2.256 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841705941 680908139 /nfs/dbraw/zinc/90/81/39/680908139.db2.gz AXNSWPGAWBKONT-SFHVURJKSA-N 1 0 360.527 2.276 20 10 FECDRO O=S1(=O)CCC(O)(C[N@@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000767400212 680910444 /nfs/dbraw/zinc/91/04/44/680910444.db2.gz VBOBQWPTLZYIOD-UHFFFAOYSA-N 1 0 353.484 2.077 20 10 FECDRO C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](C)[NH3+] ZINC000841843400 680914379 /nfs/dbraw/zinc/91/43/79/680914379.db2.gz HEGFBLULDJGBJV-YNEHKIRRSA-N 1 0 356.417 2.292 20 10 FECDRO CN(CCC[NH3+])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841844173 680914505 /nfs/dbraw/zinc/91/45/05/680914505.db2.gz SVCIVMHIVMWFGB-CYBMUJFWSA-N 1 0 356.417 2.247 20 10 FECDRO COc1cc(N)c(Cl)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846009 680914647 /nfs/dbraw/zinc/91/46/47/680914647.db2.gz IUDATDIGSAEXOS-INIZCTEOSA-N 1 0 362.861 2.427 20 10 FECDRO Nc1ccc(Cc2nc(C(=O)N[C@H]3C[NH2+]CCC3(F)F)cs2)cc1 ZINC000841852197 680914695 /nfs/dbraw/zinc/91/46/95/680914695.db2.gz IEXPKMMRGWNOET-ZDUSSCGKSA-N 1 0 352.410 2.043 20 10 FECDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000841856943 680914885 /nfs/dbraw/zinc/91/48/85/680914885.db2.gz MAWHESVKLQOODQ-KGLIPLIRSA-N 1 0 370.544 2.163 20 10 FECDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000768264523 680942287 /nfs/dbraw/zinc/94/22/87/680942287.db2.gz QXMOQWGLHIFTMT-UHFFFAOYSA-N 1 0 356.488 2.085 20 10 FECDRO Cc1ccc(CS(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000842785001 680966362 /nfs/dbraw/zinc/96/63/62/680966362.db2.gz JXHHMDMNQNLENF-IBGZPJMESA-N 1 0 361.511 2.489 20 10 FECDRO C[NH+]1CCC2(CC1)CN(Cc1cc(Br)ccc1O)CCO2 ZINC000843431307 681003731 /nfs/dbraw/zinc/00/37/31/681003731.db2.gz AMZCONWWPNPMMR-UHFFFAOYSA-N 1 0 355.276 2.451 20 10 FECDRO Cc1cc(C(=O)NC[C@@H](C)[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843474894 681005771 /nfs/dbraw/zinc/00/57/71/681005771.db2.gz YHLMDIPIJMEHGY-SECBINFHSA-N 1 0 351.248 2.329 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2F)C[C@H](C)O1 ZINC000844173436 681043076 /nfs/dbraw/zinc/04/30/76/681043076.db2.gz BFGGYASFFRZGRA-IIYDPXPESA-N 1 0 351.466 2.429 20 10 FECDRO CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258123 681290945 /nfs/dbraw/zinc/29/09/45/681290945.db2.gz QTQHSFIZXCPOMP-INIZCTEOSA-N 1 0 354.516 2.387 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1O ZINC000848536717 681574157 /nfs/dbraw/zinc/57/41/57/681574157.db2.gz UMDFBHXFKACTCS-NOZJJQNGSA-N 1 0 370.247 2.281 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000848552488 681576760 /nfs/dbraw/zinc/57/67/60/681576760.db2.gz LDJSFVQWVGKXSP-ZJUUUORDSA-N 1 0 357.248 2.340 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000848553764 681576832 /nfs/dbraw/zinc/57/68/32/681576832.db2.gz QQBPLDMJFDZNLQ-SECBINFHSA-N 1 0 357.248 2.470 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCCC2=O)c1O ZINC000848556130 681577737 /nfs/dbraw/zinc/57/77/37/681577737.db2.gz NOFRVCFGMHEEBD-SNVBAGLBSA-N 1 0 357.248 2.436 20 10 FECDRO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000779031064 681673760 /nfs/dbraw/zinc/67/37/60/681673760.db2.gz RQHLUERKUXHGQG-UHFFFAOYSA-N 1 0 361.467 2.086 20 10 FECDRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605803 681763442 /nfs/dbraw/zinc/76/34/42/681763442.db2.gz JXJAJWWGDZHYTB-JKSUJKDBSA-N 1 0 362.861 2.131 20 10 FECDRO Cn1cc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c(Cl)n1 ZINC000856719212 682797815 /nfs/dbraw/zinc/79/78/15/682797815.db2.gz SEAGOXOGLUCCPL-YRNVUSSQSA-N 1 0 356.904 2.369 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCCN(C)S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000792912277 682848801 /nfs/dbraw/zinc/84/88/01/682848801.db2.gz NNJNGIZIIJDHQH-UHFFFAOYSA-N 1 0 367.437 2.143 20 10 FECDRO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000926953209 683188616 /nfs/dbraw/zinc/18/86/16/683188616.db2.gz JSUAKUGIBKRJKP-AWEZNQCLSA-N 1 0 372.506 2.384 20 10 FECDRO CCN(CC[NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000861572105 683436830 /nfs/dbraw/zinc/43/68/30/683436830.db2.gz LJZOXRHPPGNEBD-UHFFFAOYSA-N 1 0 356.417 2.247 20 10 FECDRO C[C@@H]([NH3+])CN(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000861572762 683436855 /nfs/dbraw/zinc/43/68/55/683436855.db2.gz WAOFGLWLDVVAII-GFCCVEGCSA-N 1 0 356.417 2.245 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(O)c1 ZINC000799717216 683487976 /nfs/dbraw/zinc/48/79/76/683487976.db2.gz LFZZRVBNIHWITD-OAHLLOKOSA-N 1 0 360.479 2.478 20 10 FECDRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921735198 683560856 /nfs/dbraw/zinc/56/08/56/683560856.db2.gz PYBLZNZBDHSZTN-UHFFFAOYSA-N 1 0 374.453 2.366 20 10 FECDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862349851 683575289 /nfs/dbraw/zinc/57/52/89/683575289.db2.gz UGZVQDXCUGGGMY-STQMWFEESA-N 1 0 374.275 2.001 20 10 FECDRO CC1(C)CNC(=O)[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924905158 684505515 /nfs/dbraw/zinc/50/55/15/684505515.db2.gz GAVHWNLOKXWZHV-OAHLLOKOSA-N 1 0 353.413 2.371 20 10 FECDRO O=C1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCN1 ZINC000873049332 685059454 /nfs/dbraw/zinc/05/94/54/685059454.db2.gz GBQQRFVQNFLEGX-HZPDHXFCSA-N 1 0 351.878 2.268 20 10 FECDRO COc1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1Cn1cccn1 ZINC000873065822 685063024 /nfs/dbraw/zinc/06/30/24/685063024.db2.gz VBEWLFMEFXCBBD-UHFFFAOYSA-N 1 0 365.499 2.243 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876878923 686286115 /nfs/dbraw/zinc/28/61/15/686286115.db2.gz DTVDVDCQAYOREX-YEORSEQZSA-N 1 0 354.834 2.065 20 10 FECDRO COc1cc(N2CC[NH+](CCC[C@H]3CCO3)CC2)cc(OC)c1OC ZINC000877345366 686358683 /nfs/dbraw/zinc/35/86/83/686358683.db2.gz BQFVCUFDISTWQG-INIZCTEOSA-N 1 0 350.459 2.404 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1 ZINC000877532054 686403259 /nfs/dbraw/zinc/40/32/59/686403259.db2.gz CIULTEWSAJLVKY-LBPRGKRZSA-N 1 0 356.488 2.302 20 10 FECDRO C[NH2+]Cc1cn(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)nn1 ZINC000881350905 687126597 /nfs/dbraw/zinc/12/65/97/687126597.db2.gz IOXFXHDPKGIKLO-UHFFFAOYSA-N 1 0 358.833 2.336 20 10 FECDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000884194682 687815045 /nfs/dbraw/zinc/81/50/45/687815045.db2.gz PPBASBACRBILJZ-QGZVFWFLSA-N 1 0 351.466 2.288 20 10 FECDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890761404 688963237 /nfs/dbraw/zinc/96/32/37/688963237.db2.gz QMFWOYONBXTQHE-GJZGRUSLSA-N 1 0 362.861 2.131 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)c2ccnn2C(F)F)[NH+](C)C)cc1 ZINC000891245795 689039620 /nfs/dbraw/zinc/03/96/20/689039620.db2.gz JRFZGBNANMZIKT-HNNXBMFYSA-N 1 0 351.401 2.377 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(F)F)n[nH]2)[NH+](C)C)cc1 ZINC000891247922 689039691 /nfs/dbraw/zinc/03/96/91/689039691.db2.gz LNHLTSBLZFHIFV-OAHLLOKOSA-N 1 0 351.401 2.446 20 10 FECDRO CC(=O)c1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891248466 689040039 /nfs/dbraw/zinc/04/00/39/689040039.db2.gz MZEBVIVFHQBKMQ-HNNXBMFYSA-N 1 0 360.483 2.444 20 10 FECDRO [NH3+]CC12CCC(CC1)N2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000891368318 689054896 /nfs/dbraw/zinc/05/48/96/689054896.db2.gz BOSZQJQPSRLYBM-UHFFFAOYSA-N 1 0 360.527 2.405 20 10 FECDRO [NH3+]C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H]1C(F)(F)F ZINC000891675016 689090747 /nfs/dbraw/zinc/09/07/47/689090747.db2.gz VYOKBMQNAQGJSV-ZJUUUORDSA-N 1 0 368.450 2.404 20 10 FECDRO [NH3+]C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H]1C(F)(F)F ZINC000891675014 689090880 /nfs/dbraw/zinc/09/08/80/689090880.db2.gz VYOKBMQNAQGJSV-UWVGGRQHSA-N 1 0 368.450 2.404 20 10 FECDRO C[C@H]1CC[N@H+](CCNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000892030570 689142703 /nfs/dbraw/zinc/14/27/03/689142703.db2.gz AZKWCJLXLFMURJ-INIZCTEOSA-N 1 0 362.543 2.381 20 10 FECDRO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1OC ZINC000892113087 689152133 /nfs/dbraw/zinc/15/21/33/689152133.db2.gz VSMYQKITFHZZBG-ZFWWWQNUSA-N 1 0 357.472 2.197 20 10 FECDRO COC(=O)c1c(C[NH2+]C[C@](C)(O)CSC)c2cc(F)ccc2n1C ZINC000894287141 689501374 /nfs/dbraw/zinc/50/13/74/689501374.db2.gz AZSLHGYZTBGAFZ-KRWDZBQOSA-N 1 0 354.447 2.308 20 10 FECDRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cc(Br)ccc2O)C1(F)F ZINC000894755042 689589448 /nfs/dbraw/zinc/58/94/48/689589448.db2.gz MGYGUBBLMYOHJG-KOLCDFICSA-N 1 0 350.159 2.299 20 10 FECDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894983036 689634498 /nfs/dbraw/zinc/63/44/98/689634498.db2.gz MFXNYAVXWOQNDC-UHFFFAOYSA-N 1 0 364.467 2.297 20 10 FECDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)CCC1(F)F ZINC000895765935 689768426 /nfs/dbraw/zinc/76/84/26/689768426.db2.gz RUDHAOKYZJWGDI-GFCCVEGCSA-N 1 0 359.369 2.430 20 10 FECDRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000897978120 690108918 /nfs/dbraw/zinc/10/89/18/690108918.db2.gz MHSSUHOMFIZZHO-AWEZNQCLSA-N 1 0 374.238 2.432 20 10 FECDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898585263 690213970 /nfs/dbraw/zinc/21/39/70/690213970.db2.gz QENLKCKRQDKCSF-LBPRGKRZSA-N 1 0 365.499 2.314 20 10 FECDRO COC(C)(C)CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101939 690304359 /nfs/dbraw/zinc/30/43/59/690304359.db2.gz NJTXPDAWBCOJJO-QGZVFWFLSA-N 1 0 350.507 2.422 20 10 FECDRO CC[C@H](O)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101873 690304493 /nfs/dbraw/zinc/30/44/93/690304493.db2.gz MUYBNLVULUABLI-ZWKOTPCHSA-N 1 0 350.507 2.206 20 10 FECDRO CCCN(CCC)c1ccc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1 ZINC000903967117 690990007 /nfs/dbraw/zinc/99/00/07/690990007.db2.gz HJCKEGGHNHNVNO-IBGZPJMESA-N 1 0 367.559 2.179 20 10 FECDRO O[C@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(O)CCC1 ZINC000905133030 691072282 /nfs/dbraw/zinc/07/22/82/691072282.db2.gz DVOJPKNLFMGKNA-CZUORRHYSA-N 1 0 356.413 2.122 20 10 FECDRO CSCCCNC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905530351 691133917 /nfs/dbraw/zinc/13/39/17/691133917.db2.gz QTDLPPXCIMVVGT-UHFFFAOYSA-N 1 0 352.573 2.156 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1F ZINC000800308910 674040536 /nfs/dbraw/zinc/04/05/36/674040536.db2.gz DSOUAGPYCKRIBH-WBVHZDCISA-N 1 0 371.522 2.479 20 10 FECDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000800309886 674040581 /nfs/dbraw/zinc/04/05/81/674040581.db2.gz OUCFEQOWLXQDCN-PKOBYXMFSA-N 1 0 365.543 2.484 20 10 FECDRO COc1cccc(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1O ZINC000073619810 541974962 /nfs/dbraw/zinc/97/49/62/541974962.db2.gz RLSBDIKMHDTFKW-UHFFFAOYSA-N 1 0 370.453 2.260 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CC[NH+](CC3CCOCC3)CC2)c1O ZINC000079437872 542518987 /nfs/dbraw/zinc/51/89/87/542518987.db2.gz ILXABZRZPVDVHR-UHFFFAOYSA-N 1 0 350.434 2.278 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(N2CCC(O)CC2)cc1 ZINC000089677703 542768466 /nfs/dbraw/zinc/76/84/66/542768466.db2.gz WWZBSYOLFAPUKQ-HRAATJIYSA-N 1 0 359.514 2.162 20 10 FECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090412160 542784311 /nfs/dbraw/zinc/78/43/11/542784311.db2.gz CMRPHCQMAJYGTA-GOEBONIOSA-N 1 0 364.465 2.117 20 10 FECDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000097216677 543007574 /nfs/dbraw/zinc/00/75/74/543007574.db2.gz AQMCWOMASQHDEF-QGZVFWFLSA-N 1 0 360.502 2.197 20 10 FECDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000105179551 543163806 /nfs/dbraw/zinc/16/38/06/543163806.db2.gz XUTCHJBOFJPONF-IBGZPJMESA-N 1 0 374.529 2.443 20 10 FECDRO C[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccccc1O ZINC000109773756 543338832 /nfs/dbraw/zinc/33/88/32/543338832.db2.gz BTGMYGFGGMTMPQ-QGZVFWFLSA-N 1 0 353.466 2.467 20 10 FECDRO COCCC[NH+]1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000127254954 543981208 /nfs/dbraw/zinc/98/12/08/543981208.db2.gz QRTKFPYRBAXGKJ-UHFFFAOYSA-N 1 0 372.513 2.363 20 10 FECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000128620992 544063018 /nfs/dbraw/zinc/06/30/18/544063018.db2.gz QXQWPLHAPRSICH-YLJYHZDGSA-N 1 0 374.529 2.395 20 10 FECDRO CC1CC[NH+](CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000137547517 544391578 /nfs/dbraw/zinc/39/15/78/544391578.db2.gz DTBFUOHDMNIFAZ-UHFFFAOYSA-N 1 0 359.514 2.243 20 10 FECDRO COc1cccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)c1O ZINC000158422690 545859103 /nfs/dbraw/zinc/85/91/03/545859103.db2.gz CWYYIVALLHDBIK-UHFFFAOYSA-N 1 0 370.496 2.147 20 10 FECDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178522946 546807492 /nfs/dbraw/zinc/80/74/92/546807492.db2.gz JWVHRFITCHAAKQ-INIZCTEOSA-N 1 0 365.493 2.160 20 10 FECDRO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c(O)c1O ZINC000179529324 546972506 /nfs/dbraw/zinc/97/25/06/546972506.db2.gz XDZYNOSGRTVVLY-UHFFFAOYSA-N 1 0 370.449 2.293 20 10 FECDRO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1O ZINC000179591110 546982798 /nfs/dbraw/zinc/98/27/98/546982798.db2.gz CJDBJMQSBDTTDQ-UHFFFAOYSA-N 1 0 352.862 2.425 20 10 FECDRO O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1CCOc2ccccc21 ZINC000237829009 548856638 /nfs/dbraw/zinc/85/66/38/548856638.db2.gz CWXLWEULZYHBJL-QGZVFWFLSA-N 1 0 369.440 2.418 20 10 FECDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc2nsnc21 ZINC000262125329 549791071 /nfs/dbraw/zinc/79/10/71/549791071.db2.gz WEXLGIKMMQEOPU-UHFFFAOYSA-N 1 0 360.464 2.292 20 10 FECDRO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)C ZINC000263748228 549930914 /nfs/dbraw/zinc/93/09/14/549930914.db2.gz GDHYIXUCWQYCQU-UHFFFAOYSA-N 1 0 351.466 2.256 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)CSC)CC2)cc1 ZINC000264505958 549997448 /nfs/dbraw/zinc/99/74/48/549997448.db2.gz QIIKXVFXMWPZSX-INIZCTEOSA-N 1 0 365.543 2.323 20 10 FECDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccc(F)cc1 ZINC000264820733 550002031 /nfs/dbraw/zinc/00/20/31/550002031.db2.gz ZPLKRBJSPOSEPL-SFHVURJKSA-N 1 0 358.461 2.209 20 10 FECDRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000265811986 550014557 /nfs/dbraw/zinc/01/45/57/550014557.db2.gz VWNXAKGTERWYIT-AEFFLSMTSA-N 1 0 370.449 2.094 20 10 FECDRO COc1cccc(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)c1O ZINC000266628259 550022010 /nfs/dbraw/zinc/02/20/10/550022010.db2.gz AAXQBUFBGARIPO-UHFFFAOYSA-N 1 0 373.453 2.341 20 10 FECDRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCSC1 ZINC000267250484 550029082 /nfs/dbraw/zinc/02/90/82/550029082.db2.gz ZOJPNPWNCAUPOX-LJQANCHMSA-N 1 0 360.527 2.299 20 10 FECDRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000269455154 550197766 /nfs/dbraw/zinc/19/77/66/550197766.db2.gz IEKKHJIYPKGSBA-SFHVURJKSA-N 1 0 365.543 2.438 20 10 FECDRO COc1cc(O)c(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000271123433 550343067 /nfs/dbraw/zinc/34/30/67/550343067.db2.gz YVIVBOQRWLXEDW-UHFFFAOYSA-N 1 0 370.405 2.137 20 10 FECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1O ZINC000271136151 550343892 /nfs/dbraw/zinc/34/38/92/550343892.db2.gz MRKPFHVBQNZHHX-HOCLYGCPSA-N 1 0 350.459 2.154 20 10 FECDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c(O)c1C ZINC000273390334 550496799 /nfs/dbraw/zinc/49/67/99/550496799.db2.gz KNSVCPPLLWQCFB-CQSZACIVSA-N 1 0 355.438 2.075 20 10 FECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000273417894 550497835 /nfs/dbraw/zinc/49/78/35/550497835.db2.gz REIFOMDQNDTQEV-YJBOKZPZSA-N 1 0 363.502 2.101 20 10 FECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000273498349 550500747 /nfs/dbraw/zinc/50/07/47/550500747.db2.gz PNWXKPKDPRZWOP-AWEZNQCLSA-N 1 0 373.453 2.365 20 10 FECDRO C[C@@]([NH3+])(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000278253732 550765797 /nfs/dbraw/zinc/76/57/97/550765797.db2.gz MWRJHGJRMLEORV-NRFANRHFSA-N 1 0 371.456 2.277 20 10 FECDRO COc1c(O)c(C[NH2+]CC(=O)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278952184 550839590 /nfs/dbraw/zinc/83/95/90/550839590.db2.gz ZQMNWARUKCFDIW-UHFFFAOYSA-N 1 0 359.382 2.057 20 10 FECDRO CC[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N(C)C)cc1 ZINC000280946024 551048210 /nfs/dbraw/zinc/04/82/10/551048210.db2.gz JEVWZLDZGXKZGT-KDOFPFPSSA-N 1 0 355.486 2.351 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284350596 551530759 /nfs/dbraw/zinc/53/07/59/551530759.db2.gz QBWDIEHJGRLYBN-QZTJIDSGSA-N 1 0 373.497 2.264 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1F ZINC000284589561 551584350 /nfs/dbraw/zinc/58/43/50/551584350.db2.gz QBEDFNSCUKYHLH-DNVCBOLYSA-N 1 0 359.449 2.077 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(=O)[nH]n1 ZINC000285856079 551819394 /nfs/dbraw/zinc/81/93/94/551819394.db2.gz YEIPLLFLLFIYSU-MJBXVCDLSA-N 1 0 360.433 2.373 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286868381 551934975 /nfs/dbraw/zinc/93/49/75/551934975.db2.gz BNVOHVMAYRXURA-LSDHHAIUSA-N 1 0 370.490 2.138 20 10 FECDRO C[N@H+](CCn1cc(Br)cn1)Cc1cc2c(cc1O)OCO2 ZINC000288621246 552186402 /nfs/dbraw/zinc/18/64/02/552186402.db2.gz OKULFIRVDBBUIO-UHFFFAOYSA-N 1 0 354.204 2.212 20 10 FECDRO CC[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Br)ccc1O ZINC000289729075 552369094 /nfs/dbraw/zinc/36/90/94/552369094.db2.gz JZCHZOLDLADODQ-AWEZNQCLSA-N 1 0 369.263 2.370 20 10 FECDRO CCN(C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1)S(C)(=O)=O ZINC000292785880 552758414 /nfs/dbraw/zinc/75/84/14/552758414.db2.gz LACXEPCXKZUMIU-UHFFFAOYSA-N 1 0 353.532 2.307 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1N(C)C ZINC000294298813 552894972 /nfs/dbraw/zinc/89/49/72/552894972.db2.gz WVVPFMLPRCQBMW-QGZVFWFLSA-N 1 0 351.516 2.061 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CSC(F)F)CC2)cc1 ZINC000294480237 552909547 /nfs/dbraw/zinc/90/95/47/552909547.db2.gz QQRYXYLEVUNUHQ-UHFFFAOYSA-N 1 0 373.469 2.279 20 10 FECDRO C[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000295448563 553008474 /nfs/dbraw/zinc/00/84/74/553008474.db2.gz ATQLXQJKQBXDQA-CHHNCHTKSA-N 1 0 369.509 2.479 20 10 FECDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000295920044 553075667 /nfs/dbraw/zinc/07/56/67/553075667.db2.gz BOEQWVHGZPXYEA-LJQANCHMSA-N 1 0 357.429 2.287 20 10 FECDRO COc1cccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000296604683 553186354 /nfs/dbraw/zinc/18/63/54/553186354.db2.gz RQCGZEJHEVEARB-AWEZNQCLSA-N 1 0 352.431 2.126 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000298046317 553376555 /nfs/dbraw/zinc/37/65/55/553376555.db2.gz HHYSRSBBROKKSF-HXUWFJFHSA-N 1 0 358.530 2.319 20 10 FECDRO COCC[N@H+](C)CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298897641 553486593 /nfs/dbraw/zinc/48/65/93/553486593.db2.gz XVNCHPXABXAZCF-UHFFFAOYSA-N 1 0 362.518 2.395 20 10 FECDRO C[N@H+](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)Cc1ccccc1O ZINC000363398599 555095084 /nfs/dbraw/zinc/09/50/84/555095084.db2.gz LXEBRRBNHIDSEI-UHFFFAOYSA-N 1 0 373.497 2.075 20 10 FECDRO O=C(C[N@@H+]1CC[C@H](C2CC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363488876 555118374 /nfs/dbraw/zinc/11/83/74/555118374.db2.gz JLAQQUCLWSLRIW-KRWDZBQOSA-N 1 0 361.461 2.010 20 10 FECDRO COc1cc(Cl)cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000363909066 555211347 /nfs/dbraw/zinc/21/13/47/555211347.db2.gz MUAKMGDJNWQKID-JKSUJKDBSA-N 1 0 354.878 2.475 20 10 FECDRO Cc1ccn(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n1 ZINC000364999968 555461376 /nfs/dbraw/zinc/46/13/76/555461376.db2.gz PQGAWVHEYJJQIV-UHFFFAOYSA-N 1 0 355.486 2.211 20 10 FECDRO O=S1(=O)CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000365802578 555670786 /nfs/dbraw/zinc/67/07/86/555670786.db2.gz USDPOLWHRGBEQG-MRXNPFEDSA-N 1 0 372.918 2.177 20 10 FECDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)COCC(F)(F)F)CC2)cc1 ZINC000366414310 555836902 /nfs/dbraw/zinc/83/69/02/555836902.db2.gz JJHFFOPLXWXBLU-OAHLLOKOSA-N 1 0 362.392 2.147 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000368874199 556435329 /nfs/dbraw/zinc/43/53/29/556435329.db2.gz DIMGVXUWHZMUEN-LJQANCHMSA-N 1 0 355.486 2.245 20 10 FECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCN(Cc3noc(C4CC4)n3)C1)OCO2 ZINC000369267050 556555820 /nfs/dbraw/zinc/55/58/20/556555820.db2.gz CGKXZTYGSOWACJ-CQSZACIVSA-N 1 0 372.425 2.136 20 10 FECDRO CN(C)c1ccc(C[N@H+](C2CC2)[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000369484715 556609164 /nfs/dbraw/zinc/60/91/64/556609164.db2.gz NPOUBKCYNABSFL-FQEVSTJZSA-N 1 0 357.498 2.497 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c1 ZINC000369517455 556617899 /nfs/dbraw/zinc/61/78/99/556617899.db2.gz GUUZLBUCOFTISG-ZDUSSCGKSA-N 1 0 358.442 2.205 20 10 FECDRO Cc1nccc(CN2CCC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2=O)n1 ZINC000369892878 556723190 /nfs/dbraw/zinc/72/31/90/556723190.db2.gz MYLOEXBQXRTGSS-SJKOYZFVSA-N 1 0 358.417 2.472 20 10 FECDRO O=C1CCN(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000369917935 556729901 /nfs/dbraw/zinc/72/99/01/556729901.db2.gz FXUBTBFLRIZOPW-MRXNPFEDSA-N 1 0 351.878 2.222 20 10 FECDRO COc1ccc2c(c1)[C@@](O)(C[NH2+]Cc1cc3c(cc1O)OCO3)CCC2 ZINC000371357654 557159555 /nfs/dbraw/zinc/15/95/55/557159555.db2.gz OWAWMWZAWNVAEX-FQEVSTJZSA-N 1 0 357.406 2.443 20 10 FECDRO COc1cccc(N2C[C@H]([NH2+]Cc3cc(OC)c(OC)cc3O)CC2=O)c1 ZINC000371509758 557205053 /nfs/dbraw/zinc/20/50/53/557205053.db2.gz QQALPGQWONCLGO-CQSZACIVSA-N 1 0 372.421 2.313 20 10 FECDRO CN1CC[NH+](C2(C(=O)NCc3ccc4c(c3)CCCN4C)CCCC2)CC1 ZINC000371820800 557303358 /nfs/dbraw/zinc/30/33/58/557303358.db2.gz PQWPUOSKKRYREV-UHFFFAOYSA-N 1 0 370.541 2.245 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCCN(CC(=O)NC(C)C)CC2)c(O)c1 ZINC000372392038 557459126 /nfs/dbraw/zinc/45/91/26/557459126.db2.gz SGJKXAWBLOOFSN-UHFFFAOYSA-N 1 0 363.502 2.213 20 10 FECDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)NCc3ccc4c(c3)CCN4C)CC2)CCO1 ZINC000372463143 557477456 /nfs/dbraw/zinc/47/74/56/557477456.db2.gz GFBQUGKYJIWVCL-MRXNPFEDSA-N 1 0 372.513 2.074 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1 ZINC000372892184 557583190 /nfs/dbraw/zinc/58/31/90/557583190.db2.gz QPHCHLQAPSKMHA-WTOJCKNJSA-N 1 0 358.442 2.005 20 10 FECDRO C[NH+]1CCC(n2ccc(NCc3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000373263532 557661296 /nfs/dbraw/zinc/66/12/96/557661296.db2.gz IUCUVIIILFHESK-UHFFFAOYSA-N 1 0 355.486 2.599 20 10 FECDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805375 557934068 /nfs/dbraw/zinc/93/40/68/557934068.db2.gz IOQBDQACLRZZDY-UZFADEEESA-N 1 0 360.454 2.117 20 10 FECDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)nn1 ZINC000375174374 557987273 /nfs/dbraw/zinc/98/72/73/557987273.db2.gz GJAHPNWAUPEIKJ-CQSZACIVSA-N 1 0 361.421 2.107 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377708715 558402445 /nfs/dbraw/zinc/40/24/45/558402445.db2.gz XQMYSFWIUKITSW-HZPDHXFCSA-N 1 0 364.442 2.270 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000378440241 558558161 /nfs/dbraw/zinc/55/81/61/558558161.db2.gz AQOMWJUTFFFGQW-CVEARBPZSA-N 1 0 361.442 2.231 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1O ZINC000529645982 562379989 /nfs/dbraw/zinc/37/99/89/562379989.db2.gz VAOYARIRDNQDTB-GOSISDBHSA-N 1 0 354.878 2.059 20 10 FECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000814300977 674831213 /nfs/dbraw/zinc/83/12/13/674831213.db2.gz OTQIJVWMIMCTTN-HNNXBMFYSA-N 1 0 351.466 2.304 20 10 FECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1 ZINC000159911270 672286516 /nfs/dbraw/zinc/28/65/16/672286516.db2.gz YJNZVVOBZVOGTC-MRXNPFEDSA-N 1 0 367.559 2.302 20 10 FECDRO CCCC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160769799 672293622 /nfs/dbraw/zinc/29/36/22/672293622.db2.gz ZWHLZHRXIYEYHK-LJQANCHMSA-N 1 0 366.527 2.312 20 10 FECDRO CCCNC(=O)NC(=O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174423781 672360990 /nfs/dbraw/zinc/36/09/90/672360990.db2.gz VRXRXOMICHNLOQ-UHFFFAOYSA-N 1 0 372.263 2.212 20 10 FECDRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000327079001 673057359 /nfs/dbraw/zinc/05/73/59/673057359.db2.gz VFBUIWHCMIIVOY-INIZCTEOSA-N 1 0 351.466 2.290 20 10 FECDRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]Cc1ccccc1O ZINC000725851463 673094709 /nfs/dbraw/zinc/09/47/09/673094709.db2.gz QMYMDEVQUOGPMR-CYBMUJFWSA-N 1 0 369.874 2.200 20 10 FECDRO Cc1ccc(O)c(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000733326693 673410000 /nfs/dbraw/zinc/41/00/00/673410000.db2.gz UFFHCAYJDGGPTF-UHFFFAOYSA-N 1 0 366.405 2.352 20 10 FECDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000819824454 675316374 /nfs/dbraw/zinc/31/63/74/675316374.db2.gz KSYJYXXHPLTZCG-JKSUJKDBSA-N 1 0 359.495 2.437 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1OC ZINC000824514782 675608133 /nfs/dbraw/zinc/60/81/33/675608133.db2.gz CIFXWGBGGBBKPV-ZDUSSCGKSA-N 1 0 363.435 2.070 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCCN2CCO)c1O ZINC000824583663 675612193 /nfs/dbraw/zinc/61/21/93/675612193.db2.gz OEIMLZHVOIUYQF-AWEZNQCLSA-N 1 0 373.291 2.100 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 ZINC000824832701 675624475 /nfs/dbraw/zinc/62/44/75/675624475.db2.gz ZJOMYYNJZVTUND-AAEUAGOBSA-N 1 0 358.360 2.243 20 10 FECDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000825556139 675658666 /nfs/dbraw/zinc/65/86/66/675658666.db2.gz OBAFXVLUWFSUCF-ZFWWWQNUSA-N 1 0 360.248 2.065 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H](S(C)(=O)=O)C3)C2)cc1 ZINC000826846319 675710146 /nfs/dbraw/zinc/71/01/46/675710146.db2.gz SQMMPRLOQIRQLZ-RVKKMQEKSA-N 1 0 352.500 2.219 20 10 FECDRO C[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000827956375 675788591 /nfs/dbraw/zinc/78/85/91/675788591.db2.gz LHYFHLAOLAPHDQ-OCCSQVGLSA-N 1 0 351.447 2.024 20 10 FECDRO CC1=NO[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544628 677046347 /nfs/dbraw/zinc/04/63/47/677046347.db2.gz SBIQNIJSXCYLJS-HOCLYGCPSA-N 1 0 351.834 2.291 20 10 FECDRO COCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761190450 680714370 /nfs/dbraw/zinc/71/43/70/680714370.db2.gz AACHSKSYXSFQLS-UHFFFAOYSA-N 1 0 356.850 2.029 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C2(CCO)CCOCC2)c1O ZINC000761994999 680736942 /nfs/dbraw/zinc/73/69/42/680736942.db2.gz UKWFIXHLVAPBJJ-UHFFFAOYSA-N 1 0 360.248 2.185 20 10 FECDRO COc1cc(Cl)cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1O ZINC000839165063 680742311 /nfs/dbraw/zinc/74/23/11/680742311.db2.gz JXKLFQWOOOIFBH-UHFFFAOYSA-N 1 0 370.877 2.025 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H](CCO)C2CCOCC2)c1O ZINC000763465605 680783532 /nfs/dbraw/zinc/78/35/32/680783532.db2.gz BDBPOBMCCQDYCC-AWEZNQCLSA-N 1 0 374.275 2.431 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(Cl)c1 ZINC000840902715 680851491 /nfs/dbraw/zinc/85/14/91/680851491.db2.gz SJVOHUGFLDDGEQ-PIGZYNQJSA-N 1 0 351.834 2.164 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000840941332 680855345 /nfs/dbraw/zinc/85/53/45/680855345.db2.gz XHTWDPNJEYDUIH-ZDUSSCGKSA-N 1 0 358.891 2.354 20 10 FECDRO Cc1cc(O)c(C[NH2+]CC2(N3CCOCC3)CCOCC2)c(Cl)c1 ZINC000840952493 680856483 /nfs/dbraw/zinc/85/64/83/680856483.db2.gz BKHCVDLPWOWURY-UHFFFAOYSA-N 1 0 354.878 2.325 20 10 FECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071068 680861854 /nfs/dbraw/zinc/86/18/54/680861854.db2.gz VEUMAIUVVHJQCG-LBPRGKRZSA-N 1 0 355.763 2.110 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2csc([C@@H]3CCCO3)n2)cc1 ZINC000832267716 680118887 /nfs/dbraw/zinc/11/88/87/680118887.db2.gz ZNHRIJWQXZCQGZ-HOCLYGCPSA-N 1 0 360.483 2.490 20 10 FECDRO COC(=O)CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@H]1CCCO1 ZINC000750819370 680134665 /nfs/dbraw/zinc/13/46/65/680134665.db2.gz ADYQPKVOLOAHPE-OAHLLOKOSA-N 1 0 353.390 2.278 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000835044771 680290621 /nfs/dbraw/zinc/29/06/21/680290621.db2.gz OYMLCTHYVZTDSL-OZZQIWQLSA-N 1 0 351.516 2.073 20 10 FECDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754723370 680373204 /nfs/dbraw/zinc/37/32/04/680373204.db2.gz QZHVVRXSBFZMLQ-LSDHHAIUSA-N 1 0 350.459 2.072 20 10 FECDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754738376 680374387 /nfs/dbraw/zinc/37/43/87/680374387.db2.gz AEBNHTYBEIRZJE-CQSZACIVSA-N 1 0 370.515 2.212 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(Br)cc1O ZINC000756640934 680490386 /nfs/dbraw/zinc/49/03/86/680490386.db2.gz RFIJVAUZMLHMJL-VIFPVBQESA-N 1 0 350.216 2.499 20 10 FECDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000766186607 680869596 /nfs/dbraw/zinc/86/95/96/680869596.db2.gz YKRCHQLBATXLOI-FZKQIMNGSA-N 1 0 364.877 2.294 20 10 FECDRO [NH3+]CC[C@H](NC(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000841332339 680873402 /nfs/dbraw/zinc/87/34/02/680873402.db2.gz DUOIQTRTMOMJDD-JTQLQIEISA-N 1 0 370.169 2.234 20 10 FECDRO CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000841895148 680916970 /nfs/dbraw/zinc/91/69/70/680916970.db2.gz UOVWPULSLGKUNX-UHFFFAOYSA-N 1 0 354.422 2.383 20 10 FECDRO Oc1cc2c(cc1CN1CC[NH+](CCc3cccs3)CC1)[C@H](O)CO2 ZINC000768443755 680947055 /nfs/dbraw/zinc/94/70/55/680947055.db2.gz UAGRKNLJDCOTSD-GOSISDBHSA-N 1 0 360.479 2.240 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1O ZINC000842759515 680964612 /nfs/dbraw/zinc/96/46/12/680964612.db2.gz XIGZQIQYBZKPEA-MRXNPFEDSA-N 1 0 374.275 2.431 20 10 FECDRO Fc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)ccc1N1CCOCC1 ZINC000770278690 681011518 /nfs/dbraw/zinc/01/15/18/681011518.db2.gz CMDVUZSLVVGQTF-QZTJIDSGSA-N 1 0 352.475 2.369 20 10 FECDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000844401742 681056697 /nfs/dbraw/zinc/05/66/97/681056697.db2.gz PLNFEAXLMCAHQM-HNNXBMFYSA-N 1 0 359.392 2.226 20 10 FECDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773072983 681124398 /nfs/dbraw/zinc/12/43/98/681124398.db2.gz QNUGKGWGWTXGPM-YZVOILCLSA-N 1 0 351.466 2.032 20 10 FECDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846138839 681188955 /nfs/dbraw/zinc/18/89/55/681188955.db2.gz IGSIYHMEXVZCAI-CYBMUJFWSA-N 1 0 356.488 2.256 20 10 FECDRO Cn1ncc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1Cl ZINC000932391281 681239525 /nfs/dbraw/zinc/23/95/25/681239525.db2.gz WOBRWHXOQOOLMH-UHFFFAOYSA-N 1 0 362.865 2.147 20 10 FECDRO COc1cc(Br)cc(C[NH+]2CCC(CO)(OC)CC2)c1O ZINC000775203264 681284714 /nfs/dbraw/zinc/28/47/14/681284714.db2.gz CBHUGYRCHWZVEQ-UHFFFAOYSA-N 1 0 360.248 2.137 20 10 FECDRO CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000775696754 681325089 /nfs/dbraw/zinc/32/50/89/681325089.db2.gz NUBGZNSFVROPLH-QGZVFWFLSA-N 1 0 367.559 2.084 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000848528206 681572208 /nfs/dbraw/zinc/57/22/08/681572208.db2.gz KJWGFHLBPQAQEZ-WCQYABFASA-N 1 0 372.307 2.060 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848578857 681581844 /nfs/dbraw/zinc/58/18/44/681581844.db2.gz TYUCCGBMMQOASU-GFCCVEGCSA-N 1 0 371.231 2.236 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000781906376 681986990 /nfs/dbraw/zinc/98/69/90/681986990.db2.gz BWYZTQWEOZZSBP-CVEARBPZSA-N 1 0 369.303 2.494 20 10 FECDRO COc1ccc(N2CCN(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1F ZINC000851808093 682142238 /nfs/dbraw/zinc/14/22/38/682142238.db2.gz KYZAFXIHVGFEEE-HZPDHXFCSA-N 1 0 351.466 2.066 20 10 FECDRO CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(C)c(C)cc1O)C2 ZINC000789489302 682609667 /nfs/dbraw/zinc/60/96/67/682609667.db2.gz CVUQFYJEQVYJKF-UHFFFAOYSA-N 1 0 360.479 2.475 20 10 FECDRO COc1cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793589324 682897522 /nfs/dbraw/zinc/89/75/22/682897522.db2.gz NUDHVEGDPRUMTB-AWEZNQCLSA-N 1 0 370.515 2.164 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1F ZINC000796482104 683164888 /nfs/dbraw/zinc/16/48/88/683164888.db2.gz JGNVGTVOOHKVSJ-GDBMZVCRSA-N 1 0 357.495 2.089 20 10 FECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000796515224 683167571 /nfs/dbraw/zinc/16/75/71/683167571.db2.gz QCDUFXSYSUOPFO-UHFFFAOYSA-N 1 0 370.490 2.109 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1(S(C)(=O)=O)CC1 ZINC000797070807 683220448 /nfs/dbraw/zinc/22/04/48/683220448.db2.gz SRRPKDXSRIMKGH-UONOGXRCSA-N 1 0 370.490 2.279 20 10 FECDRO CCOC(=O)[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC12COC2 ZINC000862381762 683580652 /nfs/dbraw/zinc/58/06/52/683580652.db2.gz IUHRJMOBNVHCBH-CYBMUJFWSA-N 1 0 354.397 2.042 20 10 FECDRO COc1cccc(O)c1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000922471905 683729855 /nfs/dbraw/zinc/72/98/55/683729855.db2.gz CLUGHDVCFFUVJR-UHFFFAOYSA-N 1 0 356.488 2.131 20 10 FECDRO CCOCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1OC ZINC000922851039 683792504 /nfs/dbraw/zinc/79/25/04/683792504.db2.gz IKKGWDBCKQOCKE-ALOPSCKCSA-N 1 0 353.484 2.430 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924646347 684476747 /nfs/dbraw/zinc/47/67/47/684476747.db2.gz BDLAJHBXBILCCD-INIZCTEOSA-N 1 0 365.543 2.437 20 10 FECDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925055135 684520768 /nfs/dbraw/zinc/52/07/68/684520768.db2.gz LCPWFZXBLYWUCD-OALUTQOASA-N 1 0 366.527 2.072 20 10 FECDRO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925055137 684520840 /nfs/dbraw/zinc/52/08/40/684520840.db2.gz LCPWFZXBLYWUCD-RTBURBONSA-N 1 0 366.527 2.072 20 10 FECDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925055964 684520989 /nfs/dbraw/zinc/52/09/89/684520989.db2.gz QVGACJXNDAWOKK-HKUYNNGSSA-N 1 0 368.543 2.341 20 10 FECDRO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000873024252 685052579 /nfs/dbraw/zinc/05/25/79/685052579.db2.gz LYVXZWDQZXYLJX-RDJZCZTQSA-N 1 0 352.500 2.141 20 10 FECDRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCCSc1nccs1 ZINC000876661411 686238660 /nfs/dbraw/zinc/23/86/60/686238660.db2.gz DJQGVBNKSWEXHC-CYBMUJFWSA-N 1 0 365.528 2.485 20 10 FECDRO O=C(CCC1C[NH2+]C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000876775873 686266684 /nfs/dbraw/zinc/26/66/84/686266684.db2.gz BXIVJQHZWNWIPF-AWEZNQCLSA-N 1 0 353.413 2.373 20 10 FECDRO CO[C@]1(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCOC1 ZINC000876947028 686299804 /nfs/dbraw/zinc/29/98/04/686299804.db2.gz YXGIPSHQBHCUTB-KHYOSLBOSA-N 1 0 352.450 2.334 20 10 FECDRO CO[C@@]1(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCOC1 ZINC000877034064 686314955 /nfs/dbraw/zinc/31/49/55/686314955.db2.gz XGIXADLEZJWRRD-FUHWJXTLSA-N 1 0 354.878 2.405 20 10 FECDRO O[C@H]([C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571647 686411925 /nfs/dbraw/zinc/41/19/25/686411925.db2.gz GVQRKFIJBIKUAV-WMLDXEAASA-N 1 0 358.404 2.393 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000877591564 686417967 /nfs/dbraw/zinc/41/79/67/686417967.db2.gz FYTMHZPSSFPHHA-ZDUSSCGKSA-N 1 0 367.540 2.491 20 10 FECDRO CONC(=O)C1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000877786386 686457467 /nfs/dbraw/zinc/45/74/67/686457467.db2.gz FNICJGVJOUUCTH-UHFFFAOYSA-N 1 0 357.248 2.353 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CCCC3)CC2)cc1F ZINC000878181630 686536251 /nfs/dbraw/zinc/53/62/51/686536251.db2.gz WGTPLFLDISPMFU-INIZCTEOSA-N 1 0 352.450 2.012 20 10 FECDRO CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883160265 687579019 /nfs/dbraw/zinc/57/90/19/687579019.db2.gz KVQUWYACRFHRIA-ZDUSSCGKSA-N 1 0 363.271 2.476 20 10 FECDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000884194360 687813905 /nfs/dbraw/zinc/81/39/05/687813905.db2.gz HODUVMDZEBQETP-KRWDZBQOSA-N 1 0 351.466 2.037 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1O ZINC000886229166 688216656 /nfs/dbraw/zinc/21/66/56/688216656.db2.gz LXOKSUIOVNVTBM-QWHCGFSZSA-N 1 0 360.248 2.183 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1O ZINC000886229167 688216879 /nfs/dbraw/zinc/21/68/79/688216879.db2.gz LXOKSUIOVNVTBM-STQMWFEESA-N 1 0 360.248 2.183 20 10 FECDRO CCCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891477832 689066550 /nfs/dbraw/zinc/06/65/50/689066550.db2.gz PAEZKFATTUCDBC-CQSZACIVSA-N 1 0 357.472 2.199 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCS(=O)CC3)cc2F)C[C@H](C)O1 ZINC000892621594 689219722 /nfs/dbraw/zinc/21/97/22/689219722.db2.gz LTIPGBONTMAHNI-SRKVRUEKSA-N 1 0 354.491 2.440 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000892812931 689247193 /nfs/dbraw/zinc/24/71/93/689247193.db2.gz NXGVCTHQAXPUGO-CABCVRRESA-N 1 0 352.500 2.077 20 10 FECDRO C[C@@H](CO)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893875716 689421892 /nfs/dbraw/zinc/42/18/92/689421892.db2.gz PJETWKKQZGSRCC-CRAIPNDOSA-N 1 0 350.507 2.063 20 10 FECDRO COc1cc(C)cc(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1O ZINC000894229030 689490692 /nfs/dbraw/zinc/49/06/92/689490692.db2.gz LNMGIMLMWVDPHT-UHFFFAOYSA-N 1 0 365.451 2.281 20 10 FECDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)c1O ZINC000894228700 689490883 /nfs/dbraw/zinc/49/08/83/689490883.db2.gz HXHCDLDLNCVMSW-UHFFFAOYSA-N 1 0 364.467 2.395 20 10 FECDRO COC(=O)c1c(C[NH2+][C@H](C)CC[S@@](C)=O)c2cc(F)ccc2n1C ZINC000894332898 689511957 /nfs/dbraw/zinc/51/19/57/689511957.db2.gz JJDYETSRVWKSQA-YDGUKXNOSA-N 1 0 354.447 2.351 20 10 FECDRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cc(Br)ccc2O)C1(F)F ZINC000894755044 689589476 /nfs/dbraw/zinc/58/94/76/689589476.db2.gz MGYGUBBLMYOHJG-ONGXEEELSA-N 1 0 350.159 2.299 20 10 FECDRO COC(=O)c1c(C[NH2+]CCCCS(C)(=O)=O)c2cc(F)ccc2n1C ZINC000895051406 689648540 /nfs/dbraw/zinc/64/85/40/689648540.db2.gz GGGJKGCRAWHCKC-UHFFFAOYSA-N 1 0 370.446 2.018 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1Cl ZINC000895686936 689755057 /nfs/dbraw/zinc/75/50/57/689755057.db2.gz WOPGPPXVWACIES-KRWDZBQOSA-N 1 0 367.921 2.240 20 10 FECDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895837956 689778343 /nfs/dbraw/zinc/77/83/43/689778343.db2.gz RZTAGJDTCRZLQP-QGZVFWFLSA-N 1 0 358.404 2.394 20 10 FECDRO COc1cc(O)c(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1OC ZINC000896255783 689843671 /nfs/dbraw/zinc/84/36/71/689843671.db2.gz NWVDMBAAPANPLM-UHFFFAOYSA-N 1 0 357.472 2.102 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)NCCc2ccns2)[NH+](C)C)cc1 ZINC000896418874 689871930 /nfs/dbraw/zinc/87/19/30/689871930.db2.gz RNOQRIJTWYHFFG-KRWDZBQOSA-N 1 0 361.515 2.354 20 10 FECDRO COc1ccc(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000896999338 689960665 /nfs/dbraw/zinc/96/06/65/689960665.db2.gz VLFJZLZHEZFGNG-GFCCVEGCSA-N 1 0 354.403 2.050 20 10 FECDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000900686684 690548562 /nfs/dbraw/zinc/54/85/62/690548562.db2.gz ODFINKHTCZIKEA-GFCCVEGCSA-N 1 0 363.483 2.068 20 10 FECDRO CC[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000905054654 691062284 /nfs/dbraw/zinc/06/22/84/691062284.db2.gz KNGKNZIYLOTGOU-HNNXBMFYSA-N 1 0 350.356 2.455 20 10 FECDRO CC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Br)ccc1O ZINC000068800805 541629959 /nfs/dbraw/zinc/62/99/59/541629959.db2.gz WQXXNFPCLGENHH-DZGCQCFKSA-N 1 0 356.308 2.441 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000072878903 541887295 /nfs/dbraw/zinc/88/72/95/541887295.db2.gz PONJIYJGBIFOPX-UHFFFAOYSA-N 1 0 370.478 2.225 20 10 FECDRO COc1ccc(-n2c(C)cc(C(=O)NCCN3CC[NH+](C)CC3)c2C)cc1 ZINC000073120062 541920446 /nfs/dbraw/zinc/92/04/46/541920446.db2.gz FAJGSBRIDLJLIM-UHFFFAOYSA-N 1 0 370.497 2.080 20 10 FECDRO CS(=O)(=O)N1CC[C@@H](C[N@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000801517037 674133159 /nfs/dbraw/zinc/13/31/59/674133159.db2.gz JNNSWQVRGKYBJR-HNNXBMFYSA-N 1 0 352.500 2.418 20 10 FECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611474 542192242 /nfs/dbraw/zinc/19/22/42/542192242.db2.gz IVKOMOBBIUSJRD-LJQANCHMSA-N 1 0 373.457 2.275 20 10 FECDRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000079982339 542555597 /nfs/dbraw/zinc/55/55/97/542555597.db2.gz PNLJVYHTXAJNQG-OAHLLOKOSA-N 1 0 366.481 2.192 20 10 FECDRO Cc1cc(O)c(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1C ZINC000092759416 542885831 /nfs/dbraw/zinc/88/58/31/542885831.db2.gz YIJMGMCSUFSXSP-UHFFFAOYSA-N 1 0 356.470 2.385 20 10 FECDRO COCCOc1cccc(CNC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000109769081 543338843 /nfs/dbraw/zinc/33/88/43/543338843.db2.gz NAIUOHWJYPUROY-UHFFFAOYSA-N 1 0 358.438 2.166 20 10 FECDRO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC000112583492 543453100 /nfs/dbraw/zinc/45/31/00/543453100.db2.gz DIEKSMIDLYXMIO-AWEZNQCLSA-N 1 0 356.422 2.316 20 10 FECDRO Cn1cc(C(=O)NCC2CC[NH+](Cc3c(O)cccc3Cl)CC2)cn1 ZINC000127116995 543973210 /nfs/dbraw/zinc/97/32/10/543973210.db2.gz RAKMPZRGYRXQMP-UHFFFAOYSA-N 1 0 362.861 2.421 20 10 FECDRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl)c1cccs1 ZINC000129442053 544112414 /nfs/dbraw/zinc/11/24/14/544112414.db2.gz BRVKRZTUAKDCAP-JTQLQIEISA-N 1 0 361.872 2.032 20 10 FECDRO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1 ZINC000133607634 544276867 /nfs/dbraw/zinc/27/68/67/544276867.db2.gz DYVALTBVEZWJEA-GOSISDBHSA-N 1 0 368.529 2.406 20 10 FECDRO CCOCCOCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261785 544300743 /nfs/dbraw/zinc/30/07/43/544300743.db2.gz LEBBTPGZZBHOLC-MRXNPFEDSA-N 1 0 370.877 2.179 20 10 FECDRO C[N@H+](CC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCSC1 ZINC000804737427 674299458 /nfs/dbraw/zinc/29/94/58/674299458.db2.gz QUVYJZZQSQYRSV-GFCCVEGCSA-N 1 0 359.289 2.208 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)cc1OC ZINC000160310169 546027988 /nfs/dbraw/zinc/02/79/88/546027988.db2.gz RUIMEHXFWRYZNK-UHFFFAOYSA-N 1 0 364.471 2.282 20 10 FECDRO COCCCN(C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166844200 546157749 /nfs/dbraw/zinc/15/77/49/546157749.db2.gz IOCMRPWLUZRBJZ-MRXNPFEDSA-N 1 0 353.482 2.281 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)C3CCC3)CC2)cc1 ZINC000173536037 546282968 /nfs/dbraw/zinc/28/29/68/546282968.db2.gz BUOXEEFEQFYODC-UHFFFAOYSA-N 1 0 360.502 2.401 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc[nH]c3C)CC2)cc1 ZINC000175088230 546306355 /nfs/dbraw/zinc/30/63/55/546306355.db2.gz YESUSFVVXHDNCV-UHFFFAOYSA-N 1 0 356.470 2.274 20 10 FECDRO Cc1cc(C(=O)NCCN2CCC([NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000177120121 546548854 /nfs/dbraw/zinc/54/88/54/546548854.db2.gz FTRQBOODPUJXLX-UHFFFAOYSA-N 1 0 369.513 2.245 20 10 FECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000183467432 547666200 /nfs/dbraw/zinc/66/62/00/547666200.db2.gz NGTJZDHPOYLFGI-CQSZACIVSA-N 1 0 358.438 2.399 20 10 FECDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1O ZINC000184674947 547863378 /nfs/dbraw/zinc/86/33/78/547863378.db2.gz XURDKDLMXJWSFO-UHFFFAOYSA-N 1 0 368.861 2.125 20 10 FECDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Br)ccc1O ZINC000185179034 547946857 /nfs/dbraw/zinc/94/68/57/547946857.db2.gz KKJBRSXAMAWAMV-ZETCQYMHSA-N 1 0 355.154 2.484 20 10 FECDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(F)ccc1O ZINC000186026135 548074474 /nfs/dbraw/zinc/07/44/74/548074474.db2.gz SXOOOQKDULKDRH-JTQLQIEISA-N 1 0 366.405 2.446 20 10 FECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(O)c1 ZINC000186159025 548092416 /nfs/dbraw/zinc/09/24/16/548092416.db2.gz RXMIMLQDRVOZQU-QWHCGFSZSA-N 1 0 355.481 2.248 20 10 FECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000186396570 548130298 /nfs/dbraw/zinc/13/02/98/548130298.db2.gz YSZZILXIIUKFSE-HNNXBMFYSA-N 1 0 362.470 2.180 20 10 FECDRO COC(=O)C1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000237125201 548801563 /nfs/dbraw/zinc/80/15/63/548801563.db2.gz LUIVOPALFXDETE-UHFFFAOYSA-N 1 0 350.434 2.484 20 10 FECDRO Cc1cc(Br)cc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1O ZINC000529667996 562380524 /nfs/dbraw/zinc/38/05/24/562380524.db2.gz CSMCXACLPJWVTL-IYBDPMFKSA-N 1 0 358.276 2.276 20 10 FECDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000267427162 550031733 /nfs/dbraw/zinc/03/17/33/550031733.db2.gz BOUOPBXQBMAKJH-JSGCOSHPSA-N 1 0 366.433 2.097 20 10 FECDRO [NH3+]C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000269235315 550170320 /nfs/dbraw/zinc/17/03/20/550170320.db2.gz GDPFCQVNQCLGCX-SFHVURJKSA-N 1 0 371.456 2.146 20 10 FECDRO COc1cc(C[NH2+]Cc2cccc(C)c2O)ccc1OCC(=O)N(C)C ZINC000272012750 550416170 /nfs/dbraw/zinc/41/61/70/550416170.db2.gz KCSOLOCAFWLAEM-UHFFFAOYSA-N 1 0 358.438 2.466 20 10 FECDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282502 550433835 /nfs/dbraw/zinc/43/38/35/550433835.db2.gz BVIPNULNLYHMSI-AZUAARDMSA-N 1 0 372.513 2.149 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000273517095 550501521 /nfs/dbraw/zinc/50/15/21/550501521.db2.gz RZPSHVDYHHQLQO-UHFFFAOYSA-N 1 0 363.439 2.224 20 10 FECDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273583395 550504036 /nfs/dbraw/zinc/50/40/36/550504036.db2.gz NCVLGYBEVFLMIY-HUUCEWRRSA-N 1 0 350.463 2.225 20 10 FECDRO COc1cc(N2CC[NH+](Cc3nc(C)ccc3O)CC2)cc(OC)c1OC ZINC000273715564 550508875 /nfs/dbraw/zinc/50/88/75/550508875.db2.gz GZVXHKKNUXIPKD-UHFFFAOYSA-N 1 0 373.453 2.444 20 10 FECDRO O=C(NCc1ccc(N2CCCC2)cc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000277062102 550627515 /nfs/dbraw/zinc/62/75/15/550627515.db2.gz PEMKQHKNKNNEQB-SFHVURJKSA-N 1 0 353.470 2.338 20 10 FECDRO C[C@@H]1C[N@H+](CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCO1 ZINC000277826450 550718487 /nfs/dbraw/zinc/71/84/87/550718487.db2.gz XIOCQPVMZSUOEK-QGZVFWFLSA-N 1 0 362.518 2.395 20 10 FECDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143715 550753999 /nfs/dbraw/zinc/75/39/99/550753999.db2.gz BJEYLRAKHNKVCF-GXFFZTMASA-N 1 0 350.293 2.197 20 10 FECDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000278400864 550781582 /nfs/dbraw/zinc/78/15/82/550781582.db2.gz UDEZSVUNAIZVGZ-INIZCTEOSA-N 1 0 360.502 2.147 20 10 FECDRO COc1c(O)c(C[NH2+][C@H](C)C(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278935148 550837956 /nfs/dbraw/zinc/83/79/56/550837956.db2.gz WVUKQXLGPUBGJP-GFCCVEGCSA-N 1 0 359.382 2.104 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(O)c1 ZINC000279474140 550894262 /nfs/dbraw/zinc/89/42/62/550894262.db2.gz SNJVTNUOHRCECB-MRXNPFEDSA-N 1 0 368.499 2.181 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc2c(cc1O)CCCC2 ZINC000280888266 551042811 /nfs/dbraw/zinc/04/28/11/551042811.db2.gz DWQCJJVGXAKXFW-ZIAGYGMSSA-N 1 0 368.481 2.480 20 10 FECDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286759293 551923053 /nfs/dbraw/zinc/92/30/53/551923053.db2.gz FVSNCGRAVDBCOP-PXNSSMCTSA-N 1 0 358.530 2.270 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000288960818 552244148 /nfs/dbraw/zinc/24/41/48/552244148.db2.gz HEXNYJWKZFYQIG-YJBOKZPZSA-N 1 0 373.497 2.120 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2F)C[C@@H](C)O1 ZINC000294130739 552884370 /nfs/dbraw/zinc/88/43/70/552884370.db2.gz PTUPUXRWDNKGKP-MUIFIZLQSA-N 1 0 363.477 2.431 20 10 FECDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296383383 553150995 /nfs/dbraw/zinc/15/09/95/553150995.db2.gz KOMLZZAFNPIWTF-ZNMIVQPWSA-N 1 0 351.466 2.444 20 10 FECDRO Cc1cc(C(=O)NCC[NH+]2CCC(O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000297043127 553246161 /nfs/dbraw/zinc/24/61/61/553246161.db2.gz SWSUHUSIDGSGDE-UHFFFAOYSA-N 1 0 359.445 2.420 20 10 FECDRO COC1CCN(c2ccc(C[NH+]3CCN(c4cccnn4)CC3)cc2)CC1 ZINC000297180322 553260058 /nfs/dbraw/zinc/26/00/58/553260058.db2.gz PYMVKCHYKZSXLA-UHFFFAOYSA-N 1 0 367.497 2.414 20 10 FECDRO CN(CC[NH+](C)C)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000297973332 553364777 /nfs/dbraw/zinc/36/47/77/553364777.db2.gz WMTVKASAHPXDIR-UHFFFAOYSA-N 1 0 361.486 2.074 20 10 FECDRO COCCCCC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000299385277 553556108 /nfs/dbraw/zinc/55/61/08/553556108.db2.gz OUJUMEBKEWLDDC-UHFFFAOYSA-N 1 0 363.502 2.140 20 10 FECDRO O=C(NCc1ccccc1O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000299532641 553576961 /nfs/dbraw/zinc/57/69/61/553576961.db2.gz SOFMSKBFGKOOQR-UHFFFAOYSA-N 1 0 367.449 2.285 20 10 FECDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000360021359 554859762 /nfs/dbraw/zinc/85/97/62/554859762.db2.gz NMAVXQAGHSMTFZ-DYESRHJHSA-N 1 0 370.497 2.487 20 10 FECDRO NC(=O)c1noc([C@@H]2CCCN2Cc2ccc(N3CCCCC3)cc2)n1 ZINC000364232784 555275403 /nfs/dbraw/zinc/27/54/03/555275403.db2.gz AIIZOXGJMRGMSN-INIZCTEOSA-N 1 0 355.442 2.496 20 10 FECDRO Cc1cc(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c(C)n1-c1ccccn1 ZINC000364592198 555347096 /nfs/dbraw/zinc/34/70/96/555347096.db2.gz QWSLMRKUOOAZGS-UHFFFAOYSA-N 1 0 370.497 2.408 20 10 FECDRO C[C@H](CNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)CN1CCOCC1 ZINC000365046760 555472599 /nfs/dbraw/zinc/47/25/99/555472599.db2.gz SKISZBCDLLEADW-QGZVFWFLSA-N 1 0 372.513 2.130 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)CC(=O)Nc3nncs3)CC2)cc1 ZINC000365715742 555648997 /nfs/dbraw/zinc/64/89/97/555648997.db2.gz KTLZUMJMPKWIQQ-UHFFFAOYSA-N 1 0 361.471 2.086 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCCC13CCOCC3)cc2=O ZINC000367108974 556001685 /nfs/dbraw/zinc/00/16/85/556001685.db2.gz SKPLFQMWHPTPGE-OAHLLOKOSA-N 1 0 374.441 2.051 20 10 FECDRO CCn1ccnc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1=O ZINC000368464366 556317245 /nfs/dbraw/zinc/31/72/45/556317245.db2.gz ACBUEZYZINVFSK-OAHLLOKOSA-N 1 0 362.861 2.699 20 10 FECDRO CCc1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000369433369 556599424 /nfs/dbraw/zinc/59/94/24/556599424.db2.gz BJXFQAHIHLTNOO-NVXWUHKLSA-N 1 0 369.513 2.467 20 10 FECDRO CCOc1cccc(C[NH+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@@H]3C2)c1O ZINC000372428740 557468357 /nfs/dbraw/zinc/46/83/57/557468357.db2.gz QOCOLGWTPHNJHZ-HOTGVXAUSA-N 1 0 372.469 2.300 20 10 FECDRO COCc1nccc([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000372435551 557470006 /nfs/dbraw/zinc/47/00/06/557470006.db2.gz LIUWMXWEXUQGMN-ZDUSSCGKSA-N 1 0 357.410 2.437 20 10 FECDRO O=S(=O)(NC1CC[NH+](Cc2cc(F)ccc2O)CC1)c1ccccc1 ZINC000374908201 557949684 /nfs/dbraw/zinc/94/96/84/557949684.db2.gz GYZKCEADWBNAIM-UHFFFAOYSA-N 1 0 364.442 2.474 20 10 FECDRO COCCn1ncc2c1[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)CCC2 ZINC000375210102 557992431 /nfs/dbraw/zinc/99/24/31/557992431.db2.gz XZWGPXSDVUEVPK-HNNXBMFYSA-N 1 0 361.442 2.420 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375845470 558088305 /nfs/dbraw/zinc/08/83/05/558088305.db2.gz BOGVYUKRRLNPOM-NVXWUHKLSA-N 1 0 373.476 2.325 20 10 FECDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377667548 558391126 /nfs/dbraw/zinc/39/11/26/558391126.db2.gz DNTDMHXSFLBRAU-KRWDZBQOSA-N 1 0 372.387 2.451 20 10 FECDRO Cc1cccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000826298189 608581393 /nfs/dbraw/zinc/58/13/93/608581393.db2.gz HUHUASZXDXDDGA-UHFFFAOYSA-N 1 0 364.453 2.199 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826210491 608590540 /nfs/dbraw/zinc/59/05/40/608590540.db2.gz UDRFARIROZEXKO-GOSISDBHSA-N 1 0 367.409 2.154 20 10 FECDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)ccc1N(C)C ZINC000815020872 674899125 /nfs/dbraw/zinc/89/91/25/674899125.db2.gz JNVCUERBOMWLOJ-QGZVFWFLSA-N 1 0 353.532 2.355 20 10 FECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000076323642 670547554 /nfs/dbraw/zinc/54/75/54/670547554.db2.gz IVMQRBYMBFLENK-SCLBCKFNSA-N 1 0 350.459 2.371 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CC(F)F)cc2F)CC1 ZINC000106584787 670812956 /nfs/dbraw/zinc/81/29/56/670812956.db2.gz JYRVJRGONIQKCG-UHFFFAOYSA-N 1 0 358.408 2.374 20 10 FECDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113329500 670883685 /nfs/dbraw/zinc/88/36/85/670883685.db2.gz DPCMIVPZQDXTHP-UHFFFAOYSA-N 1 0 354.859 2.422 20 10 FECDRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817586573 675149174 /nfs/dbraw/zinc/14/91/74/675149174.db2.gz PXQGHHWIAWTTOT-ZDUSSCGKSA-N 1 0 351.878 2.483 20 10 FECDRO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817945122 675187433 /nfs/dbraw/zinc/18/74/33/675187433.db2.gz UNRKNWMFWRDYFB-SNVBAGLBSA-N 1 0 362.699 2.364 20 10 FECDRO COc1ccc(N2CCC(NC(=O)C[N@H+](C)[C@H]3CCSC3)CC2)cc1 ZINC000155399979 672232672 /nfs/dbraw/zinc/23/26/72/672232672.db2.gz DCGYEGWLZOSDMG-KRWDZBQOSA-N 1 0 363.527 2.218 20 10 FECDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1 ZINC000159911404 672286508 /nfs/dbraw/zinc/28/65/08/672286508.db2.gz YJNZVVOBZVOGTC-INIZCTEOSA-N 1 0 367.559 2.302 20 10 FECDRO CNC(=O)C1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000179821822 672405940 /nfs/dbraw/zinc/40/59/40/672405940.db2.gz MKFLEGKEUBATEW-UHFFFAOYSA-N 1 0 357.248 2.121 20 10 FECDRO O=S(=O)(c1ccccc1)N1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000179979908 672407485 /nfs/dbraw/zinc/40/74/85/672407485.db2.gz OXYGFRHJDPSAEL-UHFFFAOYSA-N 1 0 364.442 2.428 20 10 FECDRO COc1cc(CNC(=O)C2=CC(=O)CS2)ccc1OCC[NH+](C)C ZINC000732280058 673361733 /nfs/dbraw/zinc/36/17/33/673361733.db2.gz SYYVEVHPPCNTJQ-UHFFFAOYSA-N 1 0 350.440 2.333 20 10 FECDRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCCSc2nccs2)cc1 ZINC000819064400 675257763 /nfs/dbraw/zinc/25/77/63/675257763.db2.gz WSJGFRNFTKZCSL-CQSZACIVSA-N 1 0 372.537 2.352 20 10 FECDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1cc(Br)ccc1O ZINC000822898984 675515013 /nfs/dbraw/zinc/51/50/13/675515013.db2.gz OWVNBKMPVGUYAA-UHFFFAOYSA-N 1 0 371.275 2.129 20 10 FECDRO COc1cc(CN2CCN(CC[S@@](C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824856419 675625463 /nfs/dbraw/zinc/62/54/63/675625463.db2.gz WVGDXOPRSYDGHC-RUZDIDTESA-N 1 0 368.543 2.194 20 10 FECDRO Cc1cc(O)c(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1Cl ZINC000824905775 675628261 /nfs/dbraw/zinc/62/82/61/675628261.db2.gz COTCQAUSXNFJJN-INIZCTEOSA-N 1 0 351.878 2.092 20 10 FECDRO Cc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1O ZINC000826871963 675711786 /nfs/dbraw/zinc/71/17/86/675711786.db2.gz DVZVHJDLPOKPTC-UHFFFAOYSA-N 1 0 364.243 2.378 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000840936932 680854935 /nfs/dbraw/zinc/85/49/35/680854935.db2.gz NQVGSNSYQRPLDN-MRXNPFEDSA-N 1 0 368.524 2.047 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000840948103 680855897 /nfs/dbraw/zinc/85/58/97/680855897.db2.gz MXNDRVXXKGGLKK-AEFFLSMTSA-N 1 0 353.532 2.259 20 10 FECDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000748648058 679984198 /nfs/dbraw/zinc/98/41/98/679984198.db2.gz UWXCAZWZWLUHEF-SJCJKPOMSA-N 1 0 353.488 2.198 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CSC[C@@H]2CCCCO2)cc1 ZINC000832278459 680119433 /nfs/dbraw/zinc/11/94/33/680119433.db2.gz CKRCCAFCUXXLDW-IRXDYDNUSA-N 1 0 351.516 2.171 20 10 FECDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000834910795 680281634 /nfs/dbraw/zinc/28/16/34/680281634.db2.gz ZOUIMSCQSMELOA-UGSOOPFHSA-N 1 0 351.878 2.496 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000835052005 680291482 /nfs/dbraw/zinc/29/14/82/680291482.db2.gz JRPVSYLWRDCAOB-PLNGDYQASA-N 1 0 351.516 2.027 20 10 FECDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@@H]21 ZINC000836242482 680440288 /nfs/dbraw/zinc/44/02/88/680440288.db2.gz NIZZVLOKBHMSMR-AEFFLSMTSA-N 1 0 360.527 2.085 20 10 FECDRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756399397 680476379 /nfs/dbraw/zinc/47/63/79/680476379.db2.gz NZKHXAGUMIACSM-BXUZGUMPSA-N 1 0 356.463 2.483 20 10 FECDRO CC[C@@H]([NH3+])CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782567 680912202 /nfs/dbraw/zinc/91/22/02/680912202.db2.gz NYTYVSCDQRJSBW-GFCCVEGCSA-N 1 0 356.417 2.293 20 10 FECDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768441337 680947115 /nfs/dbraw/zinc/94/71/15/680947115.db2.gz YOEYSUBLAIFAKV-CABCVRRESA-N 1 0 350.459 2.072 20 10 FECDRO Cc1ccc(CS(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000842785002 680966292 /nfs/dbraw/zinc/96/62/92/680966292.db2.gz JXHHMDMNQNLENF-LJQANCHMSA-N 1 0 361.511 2.489 20 10 FECDRO CCOc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842787049 680966622 /nfs/dbraw/zinc/96/66/22/680966622.db2.gz ZGHIXNHSAPJKTO-GOSISDBHSA-N 1 0 363.483 2.130 20 10 FECDRO Oc1ccc(Br)cc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000769327002 680978241 /nfs/dbraw/zinc/97/82/41/680978241.db2.gz JMXYCFXCKNXKGG-GOEBONIOSA-N 1 0 355.276 2.186 20 10 FECDRO COC(=O)C[C@]1([NH2+]Cc2cc(Br)ccc2O)CCCOC1 ZINC000770678345 681023570 /nfs/dbraw/zinc/02/35/70/681023570.db2.gz ZTMCRPMYASOXPK-OAHLLOKOSA-N 1 0 358.232 2.357 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846075051 681179123 /nfs/dbraw/zinc/17/91/23/681179123.db2.gz KWABPSFICHCVID-SNVBAGLBSA-N 1 0 369.259 2.264 20 10 FECDRO COCC(=O)NC1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000775655849 681322002 /nfs/dbraw/zinc/32/20/02/681322002.db2.gz LQHAIWULAPWGKO-UHFFFAOYSA-N 1 0 371.275 2.190 20 10 FECDRO CC1(C)CN(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591207 681400558 /nfs/dbraw/zinc/40/05/58/681400558.db2.gz RSRSLFFPHQDIFU-INIZCTEOSA-N 1 0 365.905 2.468 20 10 FECDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000776813274 681438188 /nfs/dbraw/zinc/43/81/88/681438188.db2.gz XHRQPKYPGZJVEY-HIFRSBDPSA-N 1 0 360.248 2.065 20 10 FECDRO CCc1cccc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)c1O ZINC000848900937 681640162 /nfs/dbraw/zinc/64/01/62/681640162.db2.gz RQBFJEPYOWRUSD-UHFFFAOYSA-N 1 0 364.467 2.495 20 10 FECDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1O ZINC000848926071 681643298 /nfs/dbraw/zinc/64/32/98/681643298.db2.gz KTHRJRQEINIFHD-GFCCVEGCSA-N 1 0 351.248 2.239 20 10 FECDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000850355740 681890190 /nfs/dbraw/zinc/89/01/90/681890190.db2.gz JOTQCGRKZVUZRI-HKUYNNGSSA-N 1 0 366.527 2.215 20 10 FECDRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000851714720 682109578 /nfs/dbraw/zinc/10/95/78/682109578.db2.gz USDQFPUCOPOUTP-KRWDZBQOSA-N 1 0 372.402 2.402 20 10 FECDRO COCCC[N@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000783727794 682170800 /nfs/dbraw/zinc/17/08/00/682170800.db2.gz DRTKRTZWSDTFCJ-UHFFFAOYSA-N 1 0 351.447 2.416 20 10 FECDRO O=S1(=O)CC(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000787416527 682456395 /nfs/dbraw/zinc/45/63/95/682456395.db2.gz FOVXUKNFEBBACL-UHFFFAOYSA-N 1 0 361.463 2.496 20 10 FECDRO CC(C)C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)NCC[NH+](C)C ZINC000790980780 682717782 /nfs/dbraw/zinc/71/77/82/682717782.db2.gz PYJFLVDVJPGAIL-AWEZNQCLSA-N 1 0 359.873 2.367 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c1O ZINC000857084365 682852854 /nfs/dbraw/zinc/85/28/54/682852854.db2.gz OLJYIDDXSBGAFR-BXKDBHETSA-N 1 0 357.248 2.435 20 10 FECDRO CCOCc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1OC ZINC000858252298 682949266 /nfs/dbraw/zinc/94/92/66/682949266.db2.gz BAEJNOXHXDILAB-IAGOWNOFSA-N 1 0 370.515 2.182 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000858251023 682949410 /nfs/dbraw/zinc/94/94/10/682949410.db2.gz IVXBOEWWFCNVCY-QZTJIDSGSA-N 1 0 353.532 2.483 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O ZINC000858488960 682972550 /nfs/dbraw/zinc/97/25/50/682972550.db2.gz OTYBOTBVWQEAAS-WCQYABFASA-N 1 0 358.833 2.413 20 10 FECDRO C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000926984798 683193748 /nfs/dbraw/zinc/19/37/48/683193748.db2.gz HXKUBCPAOJOSGE-ZIAGYGMSSA-N 1 0 351.878 2.353 20 10 FECDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862349848 683575317 /nfs/dbraw/zinc/57/53/17/683575317.db2.gz UGZVQDXCUGGGMY-CHWSQXEVSA-N 1 0 374.275 2.001 20 10 FECDRO C[NH+]1CCN(c2ccc(CNCc3nc(Br)c[nH]3)cc2)CC1 ZINC000922333154 683699922 /nfs/dbraw/zinc/69/99/22/683699922.db2.gz MAGSYVCNEVTYTK-UHFFFAOYSA-N 1 0 364.291 2.214 20 10 FECDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925055136 684520867 /nfs/dbraw/zinc/52/08/67/684520867.db2.gz LCPWFZXBLYWUCD-RBUKOAKNSA-N 1 0 366.527 2.072 20 10 FECDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876732189 686255787 /nfs/dbraw/zinc/25/57/87/686255787.db2.gz YKJASFDVRAYOOV-KRWDZBQOSA-N 1 0 351.466 2.167 20 10 FECDRO C[NH+]1CCN(c2ccc(CNc3ncc(C(N)=O)cc3Cl)cc2)CC1 ZINC000882880293 687521125 /nfs/dbraw/zinc/52/11/25/687521125.db2.gz LMZOFVXSEHGQBM-UHFFFAOYSA-N 1 0 359.861 2.198 20 10 FECDRO Cc1csc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883089483 687561574 /nfs/dbraw/zinc/56/15/74/687561574.db2.gz LEVIOTXWFPKDCY-UHFFFAOYSA-N 1 0 359.499 2.203 20 10 FECDRO Cc1cc(C[NH+]2CCC(O)(COCCO)CC2)c(O)c(C(C)(C)C)c1 ZINC000884477851 687878395 /nfs/dbraw/zinc/87/83/95/687878395.db2.gz JEHXQEQAWGHSQZ-UHFFFAOYSA-N 1 0 351.487 2.334 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)c2ccn(C(F)F)n2)[NH+](C)C)cc1 ZINC000891249644 689040106 /nfs/dbraw/zinc/04/01/06/689040106.db2.gz VHZHJKNUVQWKRN-HNNXBMFYSA-N 1 0 351.401 2.377 20 10 FECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891566174 689078904 /nfs/dbraw/zinc/07/89/04/689078904.db2.gz SHGDBWJEOSHCKH-ZFWWWQNUSA-N 1 0 358.408 2.340 20 10 FECDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)[C@@H]2C1 ZINC000892030596 689142824 /nfs/dbraw/zinc/14/28/24/689142824.db2.gz BJSVTASTRZKEKY-FUHWJXTLSA-N 1 0 360.527 2.085 20 10 FECDRO COc1ccc(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c(O)c1OC ZINC000892042794 689143903 /nfs/dbraw/zinc/14/39/03/689143903.db2.gz RVDFNZSJUTUGLF-NSHDSACASA-N 1 0 362.348 2.004 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000894502867 689543866 /nfs/dbraw/zinc/54/38/66/689543866.db2.gz WRVFNXLPEHNQMD-OLZOCXBDSA-N 1 0 356.488 2.112 20 10 FECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)[C@H]1OC ZINC000894843295 689607025 /nfs/dbraw/zinc/60/70/25/689607025.db2.gz KFJGXVFCNDBBFK-LZLYRXPVSA-N 1 0 356.413 2.083 20 10 FECDRO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c(O)c1OC ZINC000895231140 689681039 /nfs/dbraw/zinc/68/10/39/689681039.db2.gz WHOCHXPSGGQROW-MRXNPFEDSA-N 1 0 350.459 2.096 20 10 FECDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc(OC)c(OC)c1O)C(F)(F)F ZINC000895720556 689761984 /nfs/dbraw/zinc/76/19/84/689761984.db2.gz XYMRDMRUBFSSAV-MVGZEHJDSA-N 1 0 365.348 2.343 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2SCCS2)[NH+](C)C)cc1 ZINC000895873417 689785828 /nfs/dbraw/zinc/78/58/28/689785828.db2.gz SUTZRPIFIHPQEG-OAHLLOKOSA-N 1 0 368.572 2.461 20 10 FECDRO COc1ccc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c(O)c1OC ZINC000896471994 689879526 /nfs/dbraw/zinc/87/95/26/689879526.db2.gz XBHWPOYDQKCDHO-GOSISDBHSA-N 1 0 350.415 2.120 20 10 FECDRO CCOc1cccc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1O ZINC000898364094 690166235 /nfs/dbraw/zinc/16/62/35/690166235.db2.gz HZOMCACYDDXOGI-LBPRGKRZSA-N 1 0 364.833 2.308 20 10 FECDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000898991260 690286666 /nfs/dbraw/zinc/28/66/66/690286666.db2.gz UJBGVYWGMSEJCS-CYBMUJFWSA-N 1 0 364.467 2.495 20 10 FECDRO CCC[C@@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899095965 690302924 /nfs/dbraw/zinc/30/29/24/690302924.db2.gz NYZDMFLAHDTLQO-MSOLQXFVSA-N 1 0 350.507 2.206 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@H]3[C@@H](C2)C3(F)F)[NH+](C)C)cc1 ZINC000899097841 690303299 /nfs/dbraw/zinc/30/32/99/690303299.db2.gz HUZOYLKERLBDNP-OWCLPIDISA-N 1 0 352.429 2.262 20 10 FECDRO COCCCCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098616 690303373 /nfs/dbraw/zinc/30/33/73/690303373.db2.gz QBLIFRMLVNYBTR-SFHVURJKSA-N 1 0 350.507 2.423 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)OCC(F)(F)F)[NH+](C)C)cc1 ZINC000899099256 690303779 /nfs/dbraw/zinc/30/37/79/690303779.db2.gz XPTGGKFERZJIOA-CQSZACIVSA-N 1 0 362.396 2.491 20 10 FECDRO CCN(C[C@@H](C)OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105510 690305132 /nfs/dbraw/zinc/30/51/32/690305132.db2.gz XTFHJHPLYVNGRQ-CRAIPNDOSA-N 1 0 350.507 2.422 20 10 FECDRO CC[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cc(Cl)ccc1O ZINC000903226861 690869972 /nfs/dbraw/zinc/86/99/72/690869972.db2.gz PWEHGNZKVUQNHG-GFCCVEGCSA-N 1 0 368.908 2.144 20 10 FECDRO COc1cc(N(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc(OC)c1OC ZINC000903733925 690968377 /nfs/dbraw/zinc/96/83/77/690968377.db2.gz MXSNXQYFMLIAKM-HNNXBMFYSA-N 1 0 350.459 2.307 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000054787359 540609894 /nfs/dbraw/zinc/60/98/94/540609894.db2.gz ZJVQZRTZRIMWCX-UHFFFAOYSA-N 1 0 372.513 2.293 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)CC(=O)Nc3cc(C)nn3C)CC2)cc1 ZINC000072801207 541868520 /nfs/dbraw/zinc/86/85/20/541868520.db2.gz HXSWIIQAJIHPER-UHFFFAOYSA-N 1 0 371.485 2.276 20 10 FECDRO CCCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000801597899 674139790 /nfs/dbraw/zinc/13/97/90/674139790.db2.gz QTDOFDJPTHETAN-UHFFFAOYSA-N 1 0 361.364 2.382 20 10 FECDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090183684 542783800 /nfs/dbraw/zinc/78/38/00/542783800.db2.gz VFHZSVFMHUISQC-CQSZACIVSA-N 1 0 370.490 2.138 20 10 FECDRO CCn1ccnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1=O ZINC000091017482 542790968 /nfs/dbraw/zinc/79/09/68/542790968.db2.gz WQKWAHHACKZNIW-UHFFFAOYSA-N 1 0 367.497 2.407 20 10 FECDRO C[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[N@H+](C)C1CC1 ZINC000105266642 543167748 /nfs/dbraw/zinc/16/77/48/543167748.db2.gz PATPECNSZBUWOK-MRXNPFEDSA-N 1 0 360.502 2.147 20 10 FECDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](C4CCCCC4)CC3)cc2N1 ZINC000152427627 544652571 /nfs/dbraw/zinc/65/25/71/544652571.db2.gz GNYOJDCLMWGIMQ-UHFFFAOYSA-N 1 0 360.414 2.380 20 10 FECDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c2C)cc1 ZINC000153148692 544738702 /nfs/dbraw/zinc/73/87/02/544738702.db2.gz GJGXDQVVDHHQKW-HXUWFJFHSA-N 1 0 359.470 2.145 20 10 FECDRO C[C@@H]1CCC[N@@H+]1C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000154900341 544963391 /nfs/dbraw/zinc/96/33/91/544963391.db2.gz FLMNDJBNBSVTSU-GFCCVEGCSA-N 1 0 360.414 2.379 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156230731 545610266 /nfs/dbraw/zinc/61/02/66/545610266.db2.gz VJANCBHTYGRPKW-MJGOQNOKSA-N 1 0 361.486 2.302 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)COC)cc2F)CC1 ZINC000171751312 546223377 /nfs/dbraw/zinc/22/33/77/546223377.db2.gz IXCAMQOJVNDICT-HNNXBMFYSA-N 1 0 366.481 2.144 20 10 FECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(F)cc(C(C)=O)c1O)CC2 ZINC000175715627 546338409 /nfs/dbraw/zinc/33/84/09/546338409.db2.gz WGMBYJZBLCKTCV-IAGOWNOFSA-N 1 0 351.418 2.486 20 10 FECDRO COc1cc(N2CC[NH+](C[C@H]3CCCCO3)CC2)cc(OC)c1OC ZINC000183702265 547704884 /nfs/dbraw/zinc/70/48/84/547704884.db2.gz AGJDNOIAYKMOGA-MRXNPFEDSA-N 1 0 350.459 2.404 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCNS(C)(=O)=O)c1O ZINC000186962068 548228625 /nfs/dbraw/zinc/22/86/25/548228625.db2.gz CZGUCLSCCQPCRZ-JTQLQIEISA-N 1 0 365.293 2.053 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1O ZINC000186996001 548236935 /nfs/dbraw/zinc/23/69/35/548236935.db2.gz KGUJJABNSBCSSR-LLVKDONJSA-N 1 0 371.275 2.396 20 10 FECDRO CC1CCN(c2ccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)cc2)CC1 ZINC000188761195 548287208 /nfs/dbraw/zinc/28/72/08/548287208.db2.gz IADDZMAKJWMRIV-UHFFFAOYSA-N 1 0 353.470 2.222 20 10 FECDRO O=S1(=O)CCN(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CC1 ZINC000190989766 548337996 /nfs/dbraw/zinc/33/79/96/548337996.db2.gz PLZZAYMSGPRAIU-UHFFFAOYSA-N 1 0 374.506 2.240 20 10 FECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCN(c3ccnn3CC)C2=O)c1 ZINC000191641025 548348109 /nfs/dbraw/zinc/34/81/09/548348109.db2.gz NNOQQEXYLRFVEA-INIZCTEOSA-N 1 0 358.442 2.293 20 10 FECDRO CCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccnn3CC)C2=O)c1O ZINC000191642469 548348170 /nfs/dbraw/zinc/34/81/70/548348170.db2.gz MJHZOQSEZFVSJP-OAHLLOKOSA-N 1 0 358.442 2.293 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1OC ZINC000194924065 548552345 /nfs/dbraw/zinc/55/23/45/548552345.db2.gz RBARZDZCTKWKNW-LBPRGKRZSA-N 1 0 362.430 2.238 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000245608180 548957043 /nfs/dbraw/zinc/95/70/43/548957043.db2.gz ACYXHKRKNQRQQJ-HLLBOEOZSA-N 1 0 364.486 2.483 20 10 FECDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(O)c1O ZINC000248414083 549432897 /nfs/dbraw/zinc/43/28/97/549432897.db2.gz MEWCJXNUXLFJOP-RHSMWYFYSA-N 1 0 355.438 2.442 20 10 FECDRO O=S(=O)(CC[NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000263709890 549923477 /nfs/dbraw/zinc/92/34/77/549923477.db2.gz TYRZZKQEZSWETL-UHFFFAOYSA-N 1 0 369.826 2.338 20 10 FECDRO CCc1ocnc1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000265744211 550013590 /nfs/dbraw/zinc/01/35/90/550013590.db2.gz FHMKTMQMXXLYIY-UHFFFAOYSA-N 1 0 360.433 2.448 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@H+](C)CCCOC ZINC000266803295 550024022 /nfs/dbraw/zinc/02/40/22/550024022.db2.gz OHWUOGHJVKHHEB-UHFFFAOYSA-N 1 0 350.507 2.252 20 10 FECDRO COc1cccc(CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1O ZINC000266799330 550024053 /nfs/dbraw/zinc/02/40/53/550024053.db2.gz MRDFMUURWOTFQN-UHFFFAOYSA-N 1 0 369.465 2.299 20 10 FECDRO O=C(NCc1ccccc1O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267336504 550030151 /nfs/dbraw/zinc/03/01/51/550030151.db2.gz MXLHXOFEDQSMAO-UHFFFAOYSA-N 1 0 369.465 2.348 20 10 FECDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000267427161 550031748 /nfs/dbraw/zinc/03/17/48/550031748.db2.gz BOUOPBXQBMAKJH-GXTWGEPZSA-N 1 0 366.433 2.097 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000269231876 550169917 /nfs/dbraw/zinc/16/99/17/550169917.db2.gz DJZZLPCVTAYVJK-NXHRZFHOSA-N 1 0 361.461 2.199 20 10 FECDRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cccc(C)c3O)CC2)n1 ZINC000271809876 550403404 /nfs/dbraw/zinc/40/34/04/550403404.db2.gz LZQUDJMOYRQUCN-OAHLLOKOSA-N 1 0 360.458 2.499 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)c1 ZINC000273572530 550503761 /nfs/dbraw/zinc/50/37/61/550503761.db2.gz KYPULMVLPLXFFI-LBPRGKRZSA-N 1 0 360.410 2.124 20 10 FECDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)C[C@H](C)O1 ZINC000276575010 550579053 /nfs/dbraw/zinc/57/90/53/550579053.db2.gz KXRUDTXMSYRIKT-STQMWFEESA-N 1 0 366.433 2.198 20 10 FECDRO O=C(NCc1ccccc1O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277087415 550630783 /nfs/dbraw/zinc/63/07/83/550630783.db2.gz UYMGAESISAXGIJ-LJQANCHMSA-N 1 0 369.465 2.483 20 10 FECDRO CCCOc1ccc(C[N@H+]2C[C@H](OCCOC)C[C@H](CO)C2)c(O)c1 ZINC000278748029 550817533 /nfs/dbraw/zinc/81/75/33/550817533.db2.gz RTKHSRJYAMFCKF-MAUKXSAKSA-N 1 0 353.459 2.027 20 10 FECDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C)cc1O ZINC000280106496 550961239 /nfs/dbraw/zinc/96/12/39/550961239.db2.gz NLUMAQPHXSJHER-DOTOQJQBSA-N 1 0 370.515 2.230 20 10 FECDRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(Br)cc1O ZINC000282887194 551281899 /nfs/dbraw/zinc/28/18/99/551281899.db2.gz VZQNFDOZAPTIPS-GFCCVEGCSA-N 1 0 374.275 2.363 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c[nH+]cn2c1 ZINC000284466303 551554812 /nfs/dbraw/zinc/55/48/12/551554812.db2.gz WXCMCEWAARKLCA-UHFFFAOYSA-N 1 0 364.449 2.473 20 10 FECDRO CC[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Br)ccc1O ZINC000289729077 552369005 /nfs/dbraw/zinc/36/90/05/552369005.db2.gz JZCHZOLDLADODQ-CQSZACIVSA-N 1 0 369.263 2.370 20 10 FECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1O ZINC000289739137 552371094 /nfs/dbraw/zinc/37/10/94/552371094.db2.gz ILEACIMTPNAGHW-CYBMUJFWSA-N 1 0 374.890 2.100 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000290663150 552515112 /nfs/dbraw/zinc/51/51/12/552515112.db2.gz FWGZXTJFIXVLRJ-SFHVURJKSA-N 1 0 373.497 2.264 20 10 FECDRO Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c(O)c1 ZINC000294652588 552924036 /nfs/dbraw/zinc/92/40/36/552924036.db2.gz GUPCUVNYBPVWRL-HOTGVXAUSA-N 1 0 370.515 2.148 20 10 FECDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000295448566 553008492 /nfs/dbraw/zinc/00/84/92/553008492.db2.gz ATQLXQJKQBXDQA-URPWPPKMSA-N 1 0 369.509 2.479 20 10 FECDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297018931 553242901 /nfs/dbraw/zinc/24/29/01/553242901.db2.gz UHKWICFXALNFKZ-INIZCTEOSA-N 1 0 352.500 2.419 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000297622897 553316656 /nfs/dbraw/zinc/31/66/56/553316656.db2.gz IZRIJKARIISYPD-LPHOPBHVSA-N 1 0 355.486 2.309 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O ZINC000361392590 554920974 /nfs/dbraw/zinc/92/09/74/554920974.db2.gz WWSRHSDOVGAFCZ-OASPWFOLSA-N 1 0 369.259 2.262 20 10 FECDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000364325561 555291686 /nfs/dbraw/zinc/29/16/86/555291686.db2.gz COBPATIXUBXUDJ-SFHVURJKSA-N 1 0 371.441 2.465 20 10 FECDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)n(C)n1 ZINC000364679196 555372492 /nfs/dbraw/zinc/37/24/92/555372492.db2.gz RHUBSZLDEPOBCG-LJQANCHMSA-N 1 0 369.513 2.324 20 10 FECDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338938 555547789 /nfs/dbraw/zinc/54/77/89/555547789.db2.gz SHTRDQSZIAQXJI-KBAYOESNSA-N 1 0 361.486 2.423 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000513482966 561940265 /nfs/dbraw/zinc/94/02/65/561940265.db2.gz IOHMOLMYSBIFKM-OAHLLOKOSA-N 1 0 372.513 2.195 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)c1O ZINC000367175183 556003097 /nfs/dbraw/zinc/00/30/97/556003097.db2.gz ZIHBMDGKEUIILX-CHWSQXEVSA-N 1 0 369.259 2.406 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368318982 556277074 /nfs/dbraw/zinc/27/70/74/556277074.db2.gz OXFYLZYOCIIBIS-CXAGYDPISA-N 1 0 354.454 2.461 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1 ZINC000370010638 556756628 /nfs/dbraw/zinc/75/66/28/556756628.db2.gz PMJDILIRMFNOGK-SFHVURJKSA-N 1 0 369.513 2.009 20 10 FECDRO CCCn1nc2c(cc1=O)CN(Cc1cc(F)cc(C(C)=O)c1O)CC2 ZINC000370217031 556813858 /nfs/dbraw/zinc/81/38/58/556813858.db2.gz WWZIXQMTWBCUIW-UHFFFAOYSA-N 1 0 359.401 2.259 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 ZINC000372039830 557363999 /nfs/dbraw/zinc/36/39/99/557363999.db2.gz VZQABUKCWNBGGP-CQSZACIVSA-N 1 0 360.414 2.006 20 10 FECDRO O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000372419585 557465693 /nfs/dbraw/zinc/46/56/93/557465693.db2.gz CYPJSXOXZDMVDF-QGZVFWFLSA-N 1 0 359.514 2.291 20 10 FECDRO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C)n1-c1ccccn1 ZINC000372581336 557512069 /nfs/dbraw/zinc/51/20/69/557512069.db2.gz FTGYJRFKVQGVCP-OALUTQOASA-N 1 0 368.481 2.160 20 10 FECDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000374516381 557893663 /nfs/dbraw/zinc/89/36/63/557893663.db2.gz XHGSIMVHARUJAA-YSSFQJQWSA-N 1 0 357.498 2.452 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)CC2)cc1 ZINC000375267160 558001634 /nfs/dbraw/zinc/00/16/34/558001634.db2.gz OTAXGMBFQOHAMQ-QFBILLFUSA-N 1 0 350.503 2.412 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375845469 558088373 /nfs/dbraw/zinc/08/83/73/558088373.db2.gz BOGVYUKRRLNPOM-DOTOQJQBSA-N 1 0 373.476 2.325 20 10 FECDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1O ZINC000377701570 558400649 /nfs/dbraw/zinc/40/06/49/558400649.db2.gz UBUSTSPCLCYTAJ-HZPDHXFCSA-N 1 0 364.442 2.270 20 10 FECDRO Cn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(-c2cccnc2)n1 ZINC000377708815 558402426 /nfs/dbraw/zinc/40/24/26/558402426.db2.gz YBLXYKPIBBPMIW-UHFFFAOYSA-N 1 0 352.398 2.356 20 10 FECDRO CC(C)N(CC(N)=O)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000443886831 560095402 /nfs/dbraw/zinc/09/54/02/560095402.db2.gz VBUHAHWYCJZQCM-UHFFFAOYSA-N 1 0 370.497 2.130 20 10 FECDRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000527775346 562303660 /nfs/dbraw/zinc/30/36/60/562303660.db2.gz SQAVWWSIWJGBFG-MRXNPFEDSA-N 1 0 356.422 2.494 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000472227996 561021419 /nfs/dbraw/zinc/02/14/19/561021419.db2.gz BWDDOTVJZFYVSS-UHFFFAOYSA-N 1 0 372.513 2.475 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000472245751 561021811 /nfs/dbraw/zinc/02/18/11/561021811.db2.gz ZTYPWXYSPKGNNL-QGZVFWFLSA-N 1 0 370.497 2.350 20 10 FECDRO O=C(CCc1ncc[nH]1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108520 674405317 /nfs/dbraw/zinc/40/53/17/674405317.db2.gz XNOYDRMIBGURCY-HNNXBMFYSA-N 1 0 362.861 2.482 20 10 FECDRO CN1CCCc2cc(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)ccc21 ZINC000736856703 599488934 /nfs/dbraw/zinc/48/89/34/599488934.db2.gz NDHHMNATDVQFTA-UHFFFAOYSA-N 1 0 374.452 2.187 20 10 FECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000809705768 674506282 /nfs/dbraw/zinc/50/62/82/674506282.db2.gz ZFBSCYAYNSYLEM-PXAZEXFGSA-N 1 0 367.833 2.007 20 10 FECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000809705771 674506316 /nfs/dbraw/zinc/50/63/16/674506316.db2.gz ZFBSCYAYNSYLEM-YVEFUNNKSA-N 1 0 367.833 2.007 20 10 FECDRO Cc1cccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1O ZINC000826298367 608581733 /nfs/dbraw/zinc/58/17/33/608581733.db2.gz PKEOXINATQULCK-UHFFFAOYSA-N 1 0 350.426 2.203 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=S)NC3CCC3)cc2F)CC1 ZINC000814197102 674825413 /nfs/dbraw/zinc/82/54/13/674825413.db2.gz RLMLYEUXRPIRIT-UHFFFAOYSA-N 1 0 350.507 2.484 20 10 FECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000815116259 674920854 /nfs/dbraw/zinc/92/08/54/674920854.db2.gz GQVFHDDJMBWLIS-QGZVFWFLSA-N 1 0 353.532 2.246 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC000817958911 675187953 /nfs/dbraw/zinc/18/79/53/675187953.db2.gz MRKCJZCJLQUSSC-MRXNPFEDSA-N 1 0 371.275 2.129 20 10 FECDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130038983 672069810 /nfs/dbraw/zinc/06/98/10/672069810.db2.gz BJGDAXCCKGJWLU-WMLDXEAASA-N 1 0 352.450 2.100 20 10 FECDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151462475 672163493 /nfs/dbraw/zinc/16/34/93/672163493.db2.gz WFJQSMPUXBHAKC-RDJZCZTQSA-N 1 0 354.466 2.346 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)COC(C)(C)C)cc2F)CC1 ZINC000182786188 672453807 /nfs/dbraw/zinc/45/38/07/672453807.db2.gz KJAJITFAXFPZPI-UHFFFAOYSA-N 1 0 351.466 2.399 20 10 FECDRO CCN(CC)c1ccc(CN2CCCN(CCOC)C(=O)C2)cc1F ZINC000191704048 672673875 /nfs/dbraw/zinc/67/38/75/672673875.db2.gz YUJAPXKHLJCFLS-UHFFFAOYSA-N 1 0 351.466 2.353 20 10 FECDRO CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000725846264 673094213 /nfs/dbraw/zinc/09/42/13/673094213.db2.gz AHGJXBZQAFNTOS-UHFFFAOYSA-N 1 0 364.467 2.331 20 10 FECDRO C[NH+]1CCN(CCOc2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000743777835 673772191 /nfs/dbraw/zinc/77/21/91/673772191.db2.gz DGRYVQXUGGKLCA-UHFFFAOYSA-N 1 0 361.467 2.332 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1O ZINC000818360761 675216271 /nfs/dbraw/zinc/21/62/71/675216271.db2.gz CFAPIJFMVPEPPQ-JOYOIKCWSA-N 1 0 355.232 2.261 20 10 FECDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)nn1 ZINC000825514665 675657028 /nfs/dbraw/zinc/65/70/28/675657028.db2.gz ROWOARVCLZACKQ-LBPRGKRZSA-N 1 0 350.806 2.179 20 10 FECDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000827662617 675771525 /nfs/dbraw/zinc/77/15/25/675771525.db2.gz SNEJBJWZBKRYGM-LPHOPBHVSA-N 1 0 366.527 2.093 20 10 FECDRO O=S1(=O)CC[C@H](CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000760855657 680703464 /nfs/dbraw/zinc/70/34/64/680703464.db2.gz HAQHIHIGNNPZRR-DOTOQJQBSA-N 1 0 353.484 2.198 20 10 FECDRO C[N@H+](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000764197676 680802569 /nfs/dbraw/zinc/80/25/69/680802569.db2.gz QJOYPVRGSIROAS-DLBZAZTESA-N 1 0 364.511 2.337 20 10 FECDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1 ZINC000841059761 680861536 /nfs/dbraw/zinc/86/15/36/680861536.db2.gz BKLGCWMGOZUEKB-NSHDSACASA-N 1 0 364.496 2.400 20 10 FECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCOCC1 ZINC000765977311 680861967 /nfs/dbraw/zinc/86/19/67/680861967.db2.gz DSUROJLDNKUSLC-LJQANCHMSA-N 1 0 366.527 2.216 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 ZINC000832265842 680118854 /nfs/dbraw/zinc/11/88/54/680118854.db2.gz ADGZNWYXFIAFLB-CABCVRRESA-N 1 0 360.483 2.490 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(Br)cn2)cc1 ZINC000832278863 680119645 /nfs/dbraw/zinc/11/96/45/680119645.db2.gz FBYRRPXNFIDTGN-CQSZACIVSA-N 1 0 363.259 2.340 20 10 FECDRO Cc1nn(C)c2sc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc12 ZINC000832292749 680120656 /nfs/dbraw/zinc/12/06/56/680120656.db2.gz LPLPUOOTNMOQEL-HNNXBMFYSA-N 1 0 357.483 2.439 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc(Cl)nc3)cc2)CC1 ZINC000751501870 680183485 /nfs/dbraw/zinc/18/34/85/680183485.db2.gz RCGATRZXTSDZIK-UHFFFAOYSA-N 1 0 365.886 2.260 20 10 FECDRO COC(=O)c1cnc(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000834382167 680219818 /nfs/dbraw/zinc/21/98/18/680219818.db2.gz FOZNWSMEPFIQHC-CQSZACIVSA-N 1 0 364.492 2.441 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000835054020 680291335 /nfs/dbraw/zinc/29/13/35/680291335.db2.gz QWYWJHJAYFBPHH-LOYZYROESA-N 1 0 365.543 2.463 20 10 FECDRO CC(C)[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000837706897 680637974 /nfs/dbraw/zinc/63/79/74/680637974.db2.gz HZOKYUIGOFJXLE-INIZCTEOSA-N 1 0 355.429 2.004 20 10 FECDRO COC(=O)/C=C\c1ccc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000759278262 680639348 /nfs/dbraw/zinc/63/93/48/680639348.db2.gz MXYQKFRNNQZHRV-ICFKLAHKSA-N 1 0 365.455 2.263 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000841706571 680908381 /nfs/dbraw/zinc/90/83/81/680908381.db2.gz HTHPAALPOULBAD-LJQANCHMSA-N 1 0 360.527 2.135 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000841937646 680917989 /nfs/dbraw/zinc/91/79/89/680917989.db2.gz AXDQULAUQYUDED-CYBMUJFWSA-N 1 0 356.264 2.438 20 10 FECDRO CCOC1CC(O)(C[NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC000767737908 680924509 /nfs/dbraw/zinc/92/45/09/680924509.db2.gz KDMQGQJAAGAMHE-UHFFFAOYSA-N 1 0 360.248 2.183 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842722571 680962265 /nfs/dbraw/zinc/96/22/65/680962265.db2.gz RLPJJLPZNQDCMF-HNNXBMFYSA-N 1 0 363.435 2.115 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2sccc2Cl)cc1 ZINC000842786281 680966544 /nfs/dbraw/zinc/96/65/44/680966544.db2.gz VIBZKKXPCXSVGC-CYBMUJFWSA-N 1 0 359.904 2.446 20 10 FECDRO CCOc1ccc(C[NH+]2CCC(C(=O)NCCCOC)CC2)c(O)c1 ZINC000768985029 680967060 /nfs/dbraw/zinc/96/70/60/680967060.db2.gz NVVWYVOZDNZHBP-UHFFFAOYSA-N 1 0 350.459 2.156 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1F ZINC000769384813 680980325 /nfs/dbraw/zinc/98/03/25/680980325.db2.gz PGFMCJQLUAGTRT-OAHLLOKOSA-N 1 0 357.495 2.172 20 10 FECDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000769449136 680983531 /nfs/dbraw/zinc/98/35/31/680983531.db2.gz ZVHUVYCUQBPPHG-UHFFFAOYSA-N 1 0 351.447 2.008 20 10 FECDRO Fc1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)ccc1N1CCOCC1 ZINC000770751769 681026436 /nfs/dbraw/zinc/02/64/36/681026436.db2.gz BKOUBGPMABQAGO-QFBILLFUSA-N 1 0 350.434 2.090 20 10 FECDRO COc1ccc(N2CCC(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000844181117 681043276 /nfs/dbraw/zinc/04/32/76/681043276.db2.gz OYNCDDJBFQCLMG-INIZCTEOSA-N 1 0 353.413 2.025 20 10 FECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000844400356 681056610 /nfs/dbraw/zinc/05/66/10/681056610.db2.gz ANKKMWFXSCFMIE-UHFFFAOYSA-N 1 0 358.467 2.333 20 10 FECDRO COCCC[NH+]1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844948814 681094563 /nfs/dbraw/zinc/09/45/63/681094563.db2.gz QKUREWSGXWCURX-UHFFFAOYSA-N 1 0 355.866 2.346 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000845065963 681101480 /nfs/dbraw/zinc/10/14/80/681101480.db2.gz YCOCXXZGJRCHQP-DOTOQJQBSA-N 1 0 367.877 2.223 20 10 FECDRO O=CN1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000774193113 681172318 /nfs/dbraw/zinc/17/23/18/681172318.db2.gz SUAJOFWRAOTCMC-KRWDZBQOSA-N 1 0 351.878 2.220 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1O ZINC000846145282 681188856 /nfs/dbraw/zinc/18/88/56/681188856.db2.gz PFDSWPIZCIFIHE-RDTXWAMCSA-N 1 0 352.500 2.259 20 10 FECDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1O ZINC000846169445 681193487 /nfs/dbraw/zinc/19/34/87/681193487.db2.gz QUFCSCVTYXYVDS-BBRMVZONSA-N 1 0 351.443 2.467 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000846182202 681197018 /nfs/dbraw/zinc/19/70/18/681197018.db2.gz AIMYHOCSTGJFFM-DOTOQJQBSA-N 1 0 351.516 2.361 20 10 FECDRO C[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccc(N2CCOCC2)cc1 ZINC000775259455 681290893 /nfs/dbraw/zinc/29/08/93/681290893.db2.gz UHHLMRXMMRYXAK-AWEZNQCLSA-N 1 0 360.483 2.293 20 10 FECDRO CC[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000775506529 681311852 /nfs/dbraw/zinc/31/18/52/681311852.db2.gz AKIIADXXDPLIIY-AEFFLSMTSA-N 1 0 367.921 2.493 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnc(N(C)C)c(Cl)c2)cc1 ZINC000848393253 681534801 /nfs/dbraw/zinc/53/48/01/681534801.db2.gz WKMCRIAAQBDEBR-INIZCTEOSA-N 1 0 361.877 2.297 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[NH+](CCCCO)CC2)c1 ZINC000781913674 681988702 /nfs/dbraw/zinc/98/87/02/681988702.db2.gz VGQTUCVLCURNRF-UHFFFAOYSA-N 1 0 357.292 2.353 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676660 682104284 /nfs/dbraw/zinc/10/42/84/682104284.db2.gz FVYOMRCHBOIMSO-UHFFFAOYSA-N 1 0 368.275 2.438 20 10 FECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC000783241716 682127803 /nfs/dbraw/zinc/12/78/03/682127803.db2.gz WILQKNFHSXDNGG-LJQANCHMSA-N 1 0 366.527 2.216 20 10 FECDRO CC[C@H](C)[N@H+](CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852293905 682255624 /nfs/dbraw/zinc/25/56/24/682255624.db2.gz SIPDFCPOCRMTRZ-HNNXBMFYSA-N 1 0 351.466 2.399 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)c3nccs3)cc2)CC1 ZINC000918829684 685542545 /nfs/dbraw/zinc/54/25/45/685542545.db2.gz FGYOSWZWJRXJGT-UHFFFAOYSA-N 1 0 358.511 2.489 20 10 FECDRO COC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H]1CCCO1 ZINC000788537420 682537522 /nfs/dbraw/zinc/53/75/22/682537522.db2.gz WJACEEIDKFUZJD-OLZOCXBDSA-N 1 0 360.248 2.447 20 10 FECDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000788622738 682543461 /nfs/dbraw/zinc/54/34/61/682543461.db2.gz HMGXGOXSXGKGFP-PMUMKWKESA-N 1 0 354.878 2.367 20 10 FECDRO O=C1[C@H]([NH2+]Cc2c(O)cccc2Br)CCN1C1CCOCC1 ZINC000858147799 682938320 /nfs/dbraw/zinc/93/83/20/682938320.db2.gz AIFXJZUAPMGDHW-CQSZACIVSA-N 1 0 369.259 2.024 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000858252867 682949679 /nfs/dbraw/zinc/94/96/79/682949679.db2.gz VSFZXWOKZKSVMF-XXCOWLKOSA-N 1 0 351.516 2.216 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c1O ZINC000858472342 682971498 /nfs/dbraw/zinc/97/14/98/682971498.db2.gz YFCKWRKQAOKTOH-XDTLVQLUSA-N 1 0 360.248 2.354 20 10 FECDRO O=C(NCCC[NH+]1CCCC1)NCc1cc(Br)ccc1O ZINC000794803282 682997065 /nfs/dbraw/zinc/99/70/65/682997065.db2.gz FYGQQFATRSPPLB-UHFFFAOYSA-N 1 0 356.264 2.440 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCCOCCC[NH3+] ZINC000861692337 683457486 /nfs/dbraw/zinc/45/74/86/683457486.db2.gz BPNGEGTVBNVZIJ-UHFFFAOYSA-N 1 0 374.279 2.052 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(O)c1 ZINC000799717215 683488098 /nfs/dbraw/zinc/48/80/98/683488098.db2.gz LFZZRVBNIHWITD-HNNXBMFYSA-N 1 0 360.479 2.478 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1O ZINC000922724101 683773116 /nfs/dbraw/zinc/77/31/16/683773116.db2.gz DLNHLZMGTVMBHY-QKCSRTOESA-N 1 0 358.232 2.057 20 10 FECDRO C[NH+]1CCN(c2ccc(CNCc3nc4c(s3)COCC4)cc2)CC1 ZINC000922958542 683811694 /nfs/dbraw/zinc/81/16/94/683811694.db2.gz JPBKNTXQCDOAGO-UHFFFAOYSA-N 1 0 358.511 2.257 20 10 FECDRO C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000865783017 684028237 /nfs/dbraw/zinc/02/82/37/684028237.db2.gz KKXMPMNRSHJGOS-GFCCVEGCSA-N 1 0 363.435 2.418 20 10 FECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)CS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000865814510 684032004 /nfs/dbraw/zinc/03/20/04/684032004.db2.gz WPIZEWHBTOFZQR-UHFFFAOYSA-N 1 0 367.437 2.176 20 10 FECDRO CC1(C)CNC(=O)[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160286 684532021 /nfs/dbraw/zinc/53/20/21/684532021.db2.gz KXXIVPCQIXWUGB-SWLSCSKDSA-N 1 0 353.413 2.371 20 10 FECDRO CCC[N@@H+]1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925352324 684552607 /nfs/dbraw/zinc/55/26/07/684552607.db2.gz JUUCZXKGKVFATB-AWEZNQCLSA-N 1 0 351.834 2.294 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(Cl)nn3)CC2)cc1 ZINC000876981847 686305080 /nfs/dbraw/zinc/30/50/80/686305080.db2.gz YAPYDCNLBCJKGP-UHFFFAOYSA-N 1 0 361.877 2.050 20 10 FECDRO COc1cc(N2CC[NH+](CCC[C@@H]3CCO3)CC2)cc(OC)c1OC ZINC000877345367 686358452 /nfs/dbraw/zinc/35/84/52/686358452.db2.gz BQFVCUFDISTWQG-MRXNPFEDSA-N 1 0 350.459 2.404 20 10 FECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877519767 686400284 /nfs/dbraw/zinc/40/02/84/686400284.db2.gz VCNTXSUEMKCBNK-UHFFFAOYSA-N 1 0 366.527 2.095 20 10 FECDRO Cn1cc(CCC[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cn1 ZINC000877582510 686415399 /nfs/dbraw/zinc/41/53/99/686415399.db2.gz ZRLUPIVZRFRIOK-UHFFFAOYSA-N 1 0 350.413 2.257 20 10 FECDRO Cn1nnnc1C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000877780276 686455491 /nfs/dbraw/zinc/45/54/91/686455491.db2.gz ZFJOWKUTYVZCDF-UHFFFAOYSA-N 1 0 352.236 2.058 20 10 FECDRO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000877799001 686465475 /nfs/dbraw/zinc/46/54/75/686465475.db2.gz HDTBQDHWTUVPAG-KBRIMQKVSA-N 1 0 350.434 2.163 20 10 FECDRO CO[C@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000881855399 687235476 /nfs/dbraw/zinc/23/54/76/687235476.db2.gz VBEUBDHRHRQNLM-OAHLLOKOSA-N 1 0 359.392 2.022 20 10 FECDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cscn1 ZINC000883772174 687722718 /nfs/dbraw/zinc/72/27/18/687722718.db2.gz JHHLUHAMOLQYAS-AWEZNQCLSA-N 1 0 359.499 2.455 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1F ZINC000891456519 689064087 /nfs/dbraw/zinc/06/40/87/689064087.db2.gz OZAVHDJWQUBROW-VXGBXAGGSA-N 1 0 362.371 2.170 20 10 FECDRO COc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c(O)c1OC ZINC000892724013 689235143 /nfs/dbraw/zinc/23/51/43/689235143.db2.gz RBBLWIMOPWSCKJ-UHFFFAOYSA-N 1 0 351.424 2.103 20 10 FECDRO C[C@H](CO)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893875719 689421863 /nfs/dbraw/zinc/42/18/63/689421863.db2.gz PJETWKKQZGSRCC-YJBOKZPZSA-N 1 0 350.507 2.063 20 10 FECDRO Cc1nnsc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895022414 689642421 /nfs/dbraw/zinc/64/24/21/689642421.db2.gz LUDLGNINCQWFSC-HNNXBMFYSA-N 1 0 362.503 2.015 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1OC ZINC000895819554 689775714 /nfs/dbraw/zinc/77/57/14/689775714.db2.gz ASWACQNOHBQCSR-QUHUKJRKSA-N 1 0 351.443 2.472 20 10 FECDRO CNC(=O)C1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOCC1 ZINC000895883908 689788292 /nfs/dbraw/zinc/78/82/92/689788292.db2.gz GRRXNEXGOSQRCT-UHFFFAOYSA-N 1 0 359.392 2.156 20 10 FECDRO C[NH+](C)[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCSC1 ZINC000896835909 689937360 /nfs/dbraw/zinc/93/73/60/689937360.db2.gz SMFXXNROUKZVCN-INIZCTEOSA-N 1 0 352.481 2.480 20 10 FECDRO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)s1 ZINC000896969552 689955987 /nfs/dbraw/zinc/95/59/87/689955987.db2.gz ODGBAYURMMFCDY-JTQLQIEISA-N 1 0 362.407 2.354 20 10 FECDRO O=C1N[C@@H](C2CC[NH+](Cc3cc(Br)ccc3O)CC2)CO1 ZINC000897022991 689965262 /nfs/dbraw/zinc/96/52/62/689965262.db2.gz AYFPRJYZTVIIDJ-CYBMUJFWSA-N 1 0 355.232 2.475 20 10 FECDRO COc1ccc(O)c(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000898286025 690154372 /nfs/dbraw/zinc/15/43/72/690154372.db2.gz BZGAYOFPNFMXFV-UHFFFAOYSA-N 1 0 350.440 2.086 20 10 FECDRO COc1cccc(O)c1C[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898287004 690154937 /nfs/dbraw/zinc/15/49/37/690154937.db2.gz OUFOCHJEEIPJRA-UHFFFAOYSA-N 1 0 350.440 2.086 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)sn1 ZINC000908459757 691683645 /nfs/dbraw/zinc/68/36/45/691683645.db2.gz JNFOFYFMIGLWMQ-OAHLLOKOSA-N 1 0 368.528 2.099 20 10 FECDRO C[C@@H]1C[NH+](CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000045633771 540219106 /nfs/dbraw/zinc/21/91/06/540219106.db2.gz WFLLTWJRENBJLK-IAGOWNOFSA-N 1 0 362.518 2.393 20 10 FECDRO COc1cccc(C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)c1O ZINC000801735643 674146611 /nfs/dbraw/zinc/14/66/11/674146611.db2.gz WEDKEEUPRRBVIZ-CQSZACIVSA-N 1 0 364.467 2.248 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000108795000 543304080 /nfs/dbraw/zinc/30/40/80/543304080.db2.gz ILTWSWXWRUWDGB-MUPIXQSSSA-N 1 0 355.482 2.233 20 10 FECDRO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000125091044 543859849 /nfs/dbraw/zinc/85/98/49/543859849.db2.gz NJJCMPLSUSTABN-UHFFFAOYSA-N 1 0 351.516 2.144 20 10 FECDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000160557747 546050879 /nfs/dbraw/zinc/05/08/79/546050879.db2.gz HRODTCOHRUMOLX-XJKSGUPXSA-N 1 0 359.449 2.228 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)C1(OC)CC[NH2+]CC1 ZINC000162525594 546140572 /nfs/dbraw/zinc/14/05/72/546140572.db2.gz LLVZUMORBNABGR-UHFFFAOYSA-N 1 0 371.275 2.272 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cnccn3)CC2)cc1 ZINC000162810012 546141315 /nfs/dbraw/zinc/14/13/15/546141315.db2.gz OFRWUBNPHOKJKR-QGZVFWFLSA-N 1 0 355.486 2.348 20 10 FECDRO C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000165185185 546152373 /nfs/dbraw/zinc/15/23/73/546152373.db2.gz HUUMOEVRHNTBLA-OXJNMPFZSA-N 1 0 353.466 2.476 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3oc(C)nc3C)CC2)cc1 ZINC000174454531 546296688 /nfs/dbraw/zinc/29/66/88/546296688.db2.gz YCRMNODFQOENEL-UHFFFAOYSA-N 1 0 372.469 2.242 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccnn3CCO)CC2)c1O ZINC000175619832 546322145 /nfs/dbraw/zinc/32/21/45/546322145.db2.gz GDOFKXPAJOFFOC-UHFFFAOYSA-N 1 0 361.417 2.302 20 10 FECDRO Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(O)c1O ZINC000177680074 546666576 /nfs/dbraw/zinc/66/65/76/546666576.db2.gz SWPILIGBYUGPLD-GJZGRUSLSA-N 1 0 362.470 2.368 20 10 FECDRO Cc1cc(Br)cc(C[N@@H+](CCO)C2CCN(C)CC2)c1O ZINC000183377763 547647658 /nfs/dbraw/zinc/64/76/58/547647658.db2.gz LPVHPAJWKIMCPP-UHFFFAOYSA-N 1 0 357.292 2.352 20 10 FECDRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000188019946 548269810 /nfs/dbraw/zinc/26/98/10/548269810.db2.gz HBPDIWMIVGDQIJ-JXMROGBWSA-N 1 0 357.498 2.479 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(F)ccc1O ZINC000189162902 548297572 /nfs/dbraw/zinc/29/75/72/548297572.db2.gz ANHKDXVGAADGKR-GFCCVEGCSA-N 1 0 353.415 2.148 20 10 FECDRO C[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[NH2+]C1 ZINC000237573957 548835157 /nfs/dbraw/zinc/83/51/57/548835157.db2.gz HIJKEAPEBQGQBN-KRWDZBQOSA-N 1 0 371.403 2.158 20 10 FECDRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)Cc3ccc(N)cc3)c2)CC1 ZINC000262665065 549837120 /nfs/dbraw/zinc/83/71/20/549837120.db2.gz PDKBPBMMFPCWLI-UHFFFAOYSA-N 1 0 366.465 2.147 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264583439 549998581 /nfs/dbraw/zinc/99/85/81/549998581.db2.gz KDZCQKNDMFHSJX-FQEVSTJZSA-N 1 0 372.513 2.293 20 10 FECDRO COC(=O)Nc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000264733978 550000046 /nfs/dbraw/zinc/00/00/46/550000046.db2.gz RRKAQNKDMKWJAI-UHFFFAOYSA-N 1 0 357.410 2.319 20 10 FECDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000267281994 550029526 /nfs/dbraw/zinc/02/95/26/550029526.db2.gz IAKQYQCWUBFPIY-GOSISDBHSA-N 1 0 360.502 2.006 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCCc4c3cnn4C)CC2)cc1 ZINC000268825786 550120126 /nfs/dbraw/zinc/12/01/26/550120126.db2.gz NGMCUOPGUYKNPM-FQEVSTJZSA-N 1 0 369.513 2.218 20 10 FECDRO CC[C@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000268820081 550120164 /nfs/dbraw/zinc/12/01/64/550120164.db2.gz LORGQBFHKMMKBJ-FQEVSTJZSA-N 1 0 357.502 2.292 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)CC3CC[NH2+]CC3)cc2F)C[C@@H](C)O1 ZINC000269235377 550170326 /nfs/dbraw/zinc/17/03/26/550170326.db2.gz GJJAKENBODZYTR-HUUCEWRRSA-N 1 0 363.477 2.445 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1C ZINC000269314082 550180044 /nfs/dbraw/zinc/18/00/44/550180044.db2.gz GVFYRYNHFOGWQQ-OAHLLOKOSA-N 1 0 352.442 2.157 20 10 FECDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(O)c1O ZINC000273065286 550483439 /nfs/dbraw/zinc/48/34/39/550483439.db2.gz ZBYLODJPEHNVRF-WMZOPIPTSA-N 1 0 370.449 2.019 20 10 FECDRO C[C@H](C[NH3+])NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000274400915 550535893 /nfs/dbraw/zinc/53/58/93/550535893.db2.gz GNIPTXSFRMCSKY-BKLZJWBFSA-N 1 0 369.537 2.193 20 10 FECDRO COC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCOCC1 ZINC000276940225 550613586 /nfs/dbraw/zinc/61/35/86/550613586.db2.gz BGCCHIJAIYCVOZ-UHFFFAOYSA-N 1 0 352.450 2.072 20 10 FECDRO O=C(NCc1c(O)ccc2c1CCCC2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000277056643 550626998 /nfs/dbraw/zinc/62/69/98/550626998.db2.gz ONVPUBDDTSFBOG-OAHLLOKOSA-N 1 0 354.454 2.322 20 10 FECDRO CCOC1CC(C[NH2+]Cc2c(O)cccc2Cl)(N2CCOCC2)C1 ZINC000277809757 550716748 /nfs/dbraw/zinc/71/67/48/550716748.db2.gz YUASOUWLHFCEKU-UHFFFAOYSA-N 1 0 354.878 2.405 20 10 FECDRO COc1c(O)c(C[NH2+][C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000278910993 550835106 /nfs/dbraw/zinc/83/51/06/550835106.db2.gz SKWJHDPCGMAQQD-AWEZNQCLSA-N 1 0 357.366 2.204 20 10 FECDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284059706 551476564 /nfs/dbraw/zinc/47/65/64/551476564.db2.gz MSDCPOWUAVIQNS-UHFFFAOYSA-N 1 0 374.529 2.093 20 10 FECDRO CCOc1ccc(O)c(CN2CCC([NH+](CCOC)CCOC)CC2)c1 ZINC000289262598 552290915 /nfs/dbraw/zinc/29/09/15/552290915.db2.gz FSPCUWDVKYSYGM-UHFFFAOYSA-N 1 0 366.502 2.350 20 10 FECDRO CCOc1ccc(O)c(CNc2cccc(CN3CCNC(=O)C3)c2)c1 ZINC000291096643 552586142 /nfs/dbraw/zinc/58/61/42/552586142.db2.gz QLCXFSNLMMBPRR-UHFFFAOYSA-N 1 0 355.438 2.335 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@](C)(OC)C3CC3)cc2F)CC1 ZINC000291695867 552651890 /nfs/dbraw/zinc/65/18/90/552651890.db2.gz NCLWVWPYNRNQPB-HXUWFJFHSA-N 1 0 363.477 2.399 20 10 FECDRO CN(C)c1ccc(CN(C)Cc2ccccc2S(N)(=O)=O)cc1F ZINC000294073868 552879929 /nfs/dbraw/zinc/87/99/29/552879929.db2.gz YPGAMYIZPBZYEL-UHFFFAOYSA-N 1 0 351.447 2.171 20 10 FECDRO Cn1cc([C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CC23CCOCC3)cn1 ZINC000295044063 552953702 /nfs/dbraw/zinc/95/37/02/552953702.db2.gz OZGPZMFFJNYING-INIZCTEOSA-N 1 0 371.437 2.251 20 10 FECDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](NC(=O)NC4CC4)C3)cc2)CC1 ZINC000295685143 553044376 /nfs/dbraw/zinc/04/43/76/553044376.db2.gz HQAWINUHFUFZPO-SFHVURJKSA-N 1 0 372.513 2.338 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000298753586 553468404 /nfs/dbraw/zinc/46/84/04/553468404.db2.gz PXUOBURIVNYRHB-SJLPKXTDSA-N 1 0 373.497 2.074 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3nccc(N(C)C)n3)cc2F)CC1 ZINC000301747670 553676600 /nfs/dbraw/zinc/67/66/00/553676600.db2.gz ZKEKFZVOZKGOGL-UHFFFAOYSA-N 1 0 358.465 2.436 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360078415 554861780 /nfs/dbraw/zinc/86/17/80/554861780.db2.gz HXILEPZRDVBMTN-RDJZCZTQSA-N 1 0 373.476 2.325 20 10 FECDRO Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCCN2C)cn1 ZINC000363177511 555046218 /nfs/dbraw/zinc/04/62/18/555046218.db2.gz VHUMSXXZVXUVAX-DJJJIMSYSA-N 1 0 358.442 2.027 20 10 FECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000363711243 555169037 /nfs/dbraw/zinc/16/90/37/555169037.db2.gz GRVHMQJSXXQLTP-OAHLLOKOSA-N 1 0 372.469 2.141 20 10 FECDRO COc1cc(Cl)cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000363909064 555211450 /nfs/dbraw/zinc/21/14/50/555211450.db2.gz MUAKMGDJNWQKID-HZPDHXFCSA-N 1 0 354.878 2.475 20 10 FECDRO CN(C)c1ccc(CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000365146739 555494802 /nfs/dbraw/zinc/49/48/02/555494802.db2.gz OIQCGUVYWVDTGY-UXHICEINSA-N 1 0 372.513 2.290 20 10 FECDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1)N1CCCC1 ZINC000366692984 555911055 /nfs/dbraw/zinc/91/10/55/555911055.db2.gz ZEZFNPQGBYCVDI-MOPGFXCFSA-N 1 0 357.498 2.404 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368318984 556277039 /nfs/dbraw/zinc/27/70/39/556277039.db2.gz OXFYLZYOCIIBIS-GUYCJALGSA-N 1 0 354.454 2.461 20 10 FECDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000369566078 556633151 /nfs/dbraw/zinc/63/31/51/556633151.db2.gz OXFKCKODXKKALR-GOSISDBHSA-N 1 0 359.514 2.208 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000369966516 556743662 /nfs/dbraw/zinc/74/36/62/556743662.db2.gz AQRYLVXTAZWHSC-UYAOXDASSA-N 1 0 357.498 2.356 20 10 FECDRO COC(=O)c1ccnc(N2CCC([NH2+]Cc3cc(F)ccc3O)CC2)c1 ZINC000373121941 557633503 /nfs/dbraw/zinc/63/35/03/557633503.db2.gz DGNGXFYZZVPLNH-UHFFFAOYSA-N 1 0 359.401 2.472 20 10 FECDRO COc1cccc(CN2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1O ZINC000374699778 557918695 /nfs/dbraw/zinc/91/86/95/557918695.db2.gz MCICDLAVCDJNPC-MRXNPFEDSA-N 1 0 367.405 2.054 20 10 FECDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4ccc(N(C)C)c(F)c4)C[C@@H]3C2)no1 ZINC000378347095 558534783 /nfs/dbraw/zinc/53/47/83/558534783.db2.gz BZBXAZMOZKXVTE-HZPDHXFCSA-N 1 0 373.476 2.401 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)cc1 ZINC000378470275 558565184 /nfs/dbraw/zinc/56/51/84/558565184.db2.gz AAFUWEBFPUNKGQ-SJLPKXTDSA-N 1 0 355.486 2.186 20 10 FECDRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1O ZINC000735560209 598617578 /nfs/dbraw/zinc/61/75/78/598617578.db2.gz BPRYUQHIKWBPHL-GFCCVEGCSA-N 1 0 352.398 2.031 20 10 FECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c1O ZINC000808700003 674469160 /nfs/dbraw/zinc/46/91/60/674469160.db2.gz ATXUZHHZIBEXMY-NSHDSACASA-N 1 0 373.862 2.112 20 10 FECDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000825965723 608507542 /nfs/dbraw/zinc/50/75/42/608507542.db2.gz DYOXJFIFFLJVGI-UHFFFAOYSA-N 1 0 370.482 2.397 20 10 FECDRO Cc1cc(C)c(O)c(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1 ZINC000814231110 674827497 /nfs/dbraw/zinc/82/74/97/674827497.db2.gz MCZFZRLVNZFSJQ-UHFFFAOYSA-N 1 0 364.467 2.167 20 10 FECDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000092303749 670737292 /nfs/dbraw/zinc/73/72/92/670737292.db2.gz DMRCUZUBYIVUMN-OAHLLOKOSA-N 1 0 370.515 2.212 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1O ZINC000159534319 672283155 /nfs/dbraw/zinc/28/31/55/672283155.db2.gz PUTMESBZBLWACS-VHSXEESVSA-N 1 0 357.248 2.249 20 10 FECDRO CC(C)([NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000236855492 672803913 /nfs/dbraw/zinc/80/39/13/672803913.db2.gz LZAWUYMDQWKRCL-UHFFFAOYSA-N 1 0 359.392 2.286 20 10 FECDRO O=S1(=O)CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000291283716 672994726 /nfs/dbraw/zinc/99/47/26/672994726.db2.gz YZFPNRYBUMBXDQ-AWEZNQCLSA-N 1 0 374.453 2.424 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc(F)cc3F)cc2)CC1 ZINC000733330662 673410116 /nfs/dbraw/zinc/41/01/16/673410116.db2.gz HKMYJWKWMNZXPL-UHFFFAOYSA-N 1 0 366.433 2.489 20 10 FECDRO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818965480 675247287 /nfs/dbraw/zinc/24/72/87/675247287.db2.gz ASXKTVUXDGXBGZ-YQQAZPJKSA-N 1 0 354.466 2.315 20 10 FECDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)COCc1cccs1 ZINC000818972649 675248302 /nfs/dbraw/zinc/24/83/02/675248302.db2.gz HLMBPQSBXROJLL-GOSISDBHSA-N 1 0 362.495 2.252 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1F ZINC000818985798 675249901 /nfs/dbraw/zinc/24/99/01/675249901.db2.gz ZYSJRDLQXCVVTO-AWEZNQCLSA-N 1 0 355.454 2.209 20 10 FECDRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCCSc2nccs2)cc1 ZINC000819064399 675257642 /nfs/dbraw/zinc/25/76/42/675257642.db2.gz WSJGFRNFTKZCSL-AWEZNQCLSA-N 1 0 372.537 2.352 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]CCCCS(C)(=O)=O)c1O ZINC000822494237 675488292 /nfs/dbraw/zinc/48/82/92/675488292.db2.gz KHWHPYSJSCHFEM-UHFFFAOYSA-N 1 0 350.278 2.378 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1O ZINC000824502319 675607017 /nfs/dbraw/zinc/60/70/17/675607017.db2.gz ZYKQIDSWTUWYNG-ZFWWWQNUSA-N 1 0 371.275 2.068 20 10 FECDRO CCOc1ccc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000824563762 675610782 /nfs/dbraw/zinc/61/07/82/675610782.db2.gz BZRRBWRXYZKLHG-CQSZACIVSA-N 1 0 354.447 2.108 20 10 FECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824828178 675623838 /nfs/dbraw/zinc/62/38/38/675623838.db2.gz LUJXAVSJZPLHQJ-RYUDHWBXSA-N 1 0 358.360 2.243 20 10 FECDRO COc1cc(CN2CCN(CC[S@](C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824856421 675625422 /nfs/dbraw/zinc/62/54/22/675625422.db2.gz WVGDXOPRSYDGHC-VWLOTQADSA-N 1 0 368.543 2.194 20 10 FECDRO COc1cc(Br)cc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1O ZINC000824926375 675629240 /nfs/dbraw/zinc/62/92/40/675629240.db2.gz MXOTYNCKPKIXTC-TXEJJXNPSA-N 1 0 373.291 2.050 20 10 FECDRO Cc1cc(Br)cc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1O ZINC000824925864 675629263 /nfs/dbraw/zinc/62/92/63/675629263.db2.gz GRFZTUIMXXJXAF-BETUJISGSA-N 1 0 357.292 2.350 20 10 FECDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825885450 675672765 /nfs/dbraw/zinc/67/27/65/675672765.db2.gz GRCNAXRJIWDXOR-IUODEOHRSA-N 1 0 355.276 2.450 20 10 FECDRO CC(C)(CC[NH2+]Cc1ccc(Br)cc1O)S(C)(=O)=O ZINC000826120854 675682689 /nfs/dbraw/zinc/68/26/89/675682689.db2.gz KGIWVERRKFAANI-UHFFFAOYSA-N 1 0 350.278 2.458 20 10 FECDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827321382 675748262 /nfs/dbraw/zinc/74/82/62/675748262.db2.gz WXUAQESVFCOYLD-LJQANCHMSA-N 1 0 355.507 2.426 20 10 FECDRO CC(C)[NH2+]CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000827364010 675751066 /nfs/dbraw/zinc/75/10/66/675751066.db2.gz CQLXVRQFEGIRMY-HUUCEWRRSA-N 1 0 351.466 2.444 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc2F)C[C@@H](C)O1 ZINC000827365412 675751296 /nfs/dbraw/zinc/75/12/96/675751296.db2.gz RQMDJQUIKJUXSQ-JTNHKYCSSA-N 1 0 359.392 2.038 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827963445 675789380 /nfs/dbraw/zinc/78/93/80/675789380.db2.gz LMCNSDYOSMZMLO-GOSISDBHSA-N 1 0 365.543 2.486 20 10 FECDRO C[C@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC[NH2+]C1 ZINC000828358801 675815330 /nfs/dbraw/zinc/81/53/30/675815330.db2.gz NFDGFCYWULMYDI-SFHVURJKSA-N 1 0 353.413 2.373 20 10 FECDRO Cc1ccc(O)c(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000865868644 684039375 /nfs/dbraw/zinc/03/93/75/684039375.db2.gz TTWOXAKJJZVFGR-UHFFFAOYSA-N 1 0 357.195 2.329 20 10 FECDRO C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC[N@@H+]1C ZINC000761283179 680717940 /nfs/dbraw/zinc/71/79/40/680717940.db2.gz RGJMDKZXCJUYNG-RISCZKNCSA-N 1 0 351.834 2.293 20 10 FECDRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCCSc2nccs2)CC1 ZINC000761772901 680731532 /nfs/dbraw/zinc/73/15/32/680731532.db2.gz WGPKBKSGGBJEGC-UHFFFAOYSA-N 1 0 372.560 2.160 20 10 FECDRO CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761979798 680736541 /nfs/dbraw/zinc/73/65/41/680736541.db2.gz IKZDWQYYUTWCIE-OAHLLOKOSA-N 1 0 367.877 2.041 20 10 FECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cc1F ZINC000839171520 680742862 /nfs/dbraw/zinc/74/28/62/680742862.db2.gz AXTFYVZISFSUEP-KRWDZBQOSA-N 1 0 352.450 2.397 20 10 FECDRO CCOc1ccc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c(O)c1 ZINC000839176606 680742967 /nfs/dbraw/zinc/74/29/67/680742967.db2.gz LRMALFXMJLBTFD-KRWDZBQOSA-N 1 0 351.443 2.296 20 10 FECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1O ZINC000840898656 680851151 /nfs/dbraw/zinc/85/11/51/680851151.db2.gz ZQKSEIIABIQPPB-NSHDSACASA-N 1 0 351.838 2.175 20 10 FECDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765732156 680853090 /nfs/dbraw/zinc/85/30/90/680853090.db2.gz GUCCTWXUWKRCNO-JKSUJKDBSA-N 1 0 351.466 2.034 20 10 FECDRO C[NH+]1CCC(C[NH2+]Cc2c([O-])ccc(Cl)c2F)(N2CCOCC2)CC1 ZINC000840954357 680856808 /nfs/dbraw/zinc/85/68/08/680856808.db2.gz CMNZGTJHGNKPLW-UHFFFAOYSA-N 1 0 371.884 2.071 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000840935700 680854909 /nfs/dbraw/zinc/85/49/09/680854909.db2.gz AUDPBNYUSBLBHU-UHFFFAOYSA-N 1 0 353.513 2.191 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1O ZINC000840961904 680857407 /nfs/dbraw/zinc/85/74/07/680857407.db2.gz FXXDYWAXRWVFDR-ZWNOBZJWSA-N 1 0 360.248 2.040 20 10 FECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000748632506 679981838 /nfs/dbraw/zinc/98/18/38/679981838.db2.gz KKRZOXWSEDLELO-SFHVURJKSA-N 1 0 350.532 2.298 20 10 FECDRO Cc1noc(Cl)c1CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280144 680119669 /nfs/dbraw/zinc/11/96/69/680119669.db2.gz NCJKCMNIHGANKL-OAHLLOKOSA-N 1 0 350.850 2.451 20 10 FECDRO Cc1noc(Cl)c1CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280143 680119704 /nfs/dbraw/zinc/11/97/04/680119704.db2.gz NCJKCMNIHGANKL-HNNXBMFYSA-N 1 0 350.850 2.451 20 10 FECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000835051708 680291591 /nfs/dbraw/zinc/29/15/91/680291591.db2.gz GWGXDDYVBLVWJZ-YEODSOHDSA-N 1 0 365.543 2.369 20 10 FECDRO COC1(C[C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1 ZINC000759997824 680674218 /nfs/dbraw/zinc/67/42/18/680674218.db2.gz DABSKACEUDONMN-MRXNPFEDSA-N 1 0 366.527 2.359 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000841706568 680908342 /nfs/dbraw/zinc/90/83/42/680908342.db2.gz HTHPAALPOULBAD-IBGZPJMESA-N 1 0 360.527 2.135 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841707760 680908450 /nfs/dbraw/zinc/90/84/50/680908450.db2.gz ZNSGFVYLDCRURG-CALCHBBNSA-N 1 0 360.527 2.276 20 10 FECDRO Nc1ccc(CCNC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000841710003 680908654 /nfs/dbraw/zinc/90/86/54/680908654.db2.gz RLYVLLVNEGFYNP-UHFFFAOYSA-N 1 0 362.543 2.472 20 10 FECDRO CN(CCC[NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841844174 680914480 /nfs/dbraw/zinc/91/44/80/680914480.db2.gz SVCIVMHIVMWFGB-ZDUSSCGKSA-N 1 0 356.417 2.247 20 10 FECDRO C[C@]1(CNC(=O)NCc2cc(Br)ccc2O)CCC[NH2+]C1 ZINC000841972461 680919607 /nfs/dbraw/zinc/91/96/07/680919607.db2.gz IETWBJJJBYOTAI-HNNXBMFYSA-N 1 0 356.264 2.344 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000842016223 680922203 /nfs/dbraw/zinc/92/22/03/680922203.db2.gz TUXGFTOXADDHMK-COPLHBTASA-N 1 0 368.275 2.342 20 10 FECDRO CN1CCCc2cc(C[NH2+]Cc3ccc(S(N)(=O)=O)cc3F)ccc21 ZINC000842672883 680958800 /nfs/dbraw/zinc/95/88/00/680958800.db2.gz FPLDEESCVGGCML-UHFFFAOYSA-N 1 0 363.458 2.145 20 10 FECDRO CCN(OC)C(=O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000842768089 680965025 /nfs/dbraw/zinc/96/50/25/680965025.db2.gz HDUKXCWWXMLQEB-UHFFFAOYSA-N 1 0 350.419 2.085 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842883742 680973377 /nfs/dbraw/zinc/97/33/77/680973377.db2.gz NOSNZGHEJTVILN-JSGCOSHPSA-N 1 0 363.435 2.286 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@H]2c2nccn2C)c1 ZINC000843122012 680988831 /nfs/dbraw/zinc/98/88/31/680988831.db2.gz NCCHSRRXZBCMAI-AWEZNQCLSA-N 1 0 365.275 2.343 20 10 FECDRO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843125068 680989026 /nfs/dbraw/zinc/98/90/26/680989026.db2.gz MSJAOQSKLLFUPP-CJNGLKHVSA-N 1 0 355.822 2.282 20 10 FECDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc(Br)ccc1O ZINC000843123045 680989102 /nfs/dbraw/zinc/98/91/02/680989102.db2.gz YJIITAZEIICHHQ-CYBMUJFWSA-N 1 0 351.248 2.035 20 10 FECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc[n+]([O-])cc1 ZINC000771060983 681039840 /nfs/dbraw/zinc/03/98/40/681039840.db2.gz ZRQHQJXDDXZSHQ-MRXNPFEDSA-N 1 0 361.829 2.073 20 10 FECDRO CC(C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[NH+]1CCN(C)CC1 ZINC000844869673 681089010 /nfs/dbraw/zinc/08/90/10/681089010.db2.gz ULYJHTNCBTXWNX-MRXNPFEDSA-N 1 0 368.909 2.117 20 10 FECDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000773102688 681125639 /nfs/dbraw/zinc/12/56/39/681125639.db2.gz HSPZFKKWYQGJAQ-QWHCGFSZSA-N 1 0 360.907 2.260 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000774482612 681194053 /nfs/dbraw/zinc/19/40/53/681194053.db2.gz GZYYBBQVBQAARZ-WDEREUQCSA-N 1 0 360.380 2.180 20 10 FECDRO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846193441 681198156 /nfs/dbraw/zinc/19/81/56/681198156.db2.gz IUKHTPMDUCZFRC-KDOFPFPSSA-N 1 0 354.878 2.369 20 10 FECDRO COc1ccc(N2CC[C@@H](NC(=S)NCC3CC[NH+](C)CC3)C2)cc1 ZINC000849270514 681674227 /nfs/dbraw/zinc/67/42/27/681674227.db2.gz HDLLUGMGWUPWBG-MRXNPFEDSA-N 1 0 362.543 2.080 20 10 FECDRO COC(=O)[C@H](C)C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000780893840 681884297 /nfs/dbraw/zinc/88/42/97/681884297.db2.gz UCKFNUJNPDKDLF-CQSZACIVSA-N 1 0 350.434 2.436 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1O ZINC000850344067 681888146 /nfs/dbraw/zinc/88/81/46/681888146.db2.gz ATDQFIYQZAUEQD-QMTHXVAHSA-N 1 0 360.248 2.304 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850365524 681892786 /nfs/dbraw/zinc/89/27/86/681892786.db2.gz JPCMTMHVDGGKOA-ARJAWSKDSA-N 1 0 350.406 2.333 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)C2)cc1 ZINC000850489466 681907081 /nfs/dbraw/zinc/90/70/81/681907081.db2.gz UTSGJDGFYISUQZ-BMGDILEWSA-N 1 0 352.500 2.219 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)C2)cc1 ZINC000850489469 681907116 /nfs/dbraw/zinc/90/71/16/681907116.db2.gz UTSGJDGFYISUQZ-WBAXXEDZSA-N 1 0 352.500 2.219 20 10 FECDRO COc1cc(Br)cc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1O ZINC000793590692 682897457 /nfs/dbraw/zinc/89/74/57/682897457.db2.gz ODFSARBCVRTRMR-NEPJUHHUSA-N 1 0 373.291 2.050 20 10 FECDRO CCON1CCC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000926557891 683145319 /nfs/dbraw/zinc/14/53/19/683145319.db2.gz AHRBJQFTUOIIBM-UHFFFAOYSA-N 1 0 355.429 2.307 20 10 FECDRO C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000927033719 683201091 /nfs/dbraw/zinc/20/10/91/683201091.db2.gz PZRGFOLXQNAPBA-CRAIPNDOSA-N 1 0 354.516 2.123 20 10 FECDRO Oc1cccc(Br)c1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000862238692 683556817 /nfs/dbraw/zinc/55/68/17/683556817.db2.gz FRUBQSDLEOFVTJ-ZBFHGGJFSA-N 1 0 355.276 2.186 20 10 FECDRO C[C@H]1CN(Cc2c(O)cccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000862336944 683573756 /nfs/dbraw/zinc/57/37/56/683573756.db2.gz OAEIGWLTLAENHH-LBPRGKRZSA-N 1 0 357.292 2.432 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1Cl ZINC000862464060 683593224 /nfs/dbraw/zinc/59/32/24/683593224.db2.gz RLMAVYIMWVIFEB-SFHVURJKSA-N 1 0 354.878 2.059 20 10 FECDRO C[C@@H]([NH2+]CC[S@](=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000930209777 683693706 /nfs/dbraw/zinc/69/37/06/683693706.db2.gz IJPYEMNEAAPJFY-SPSFWMDKSA-N 1 0 350.406 2.442 20 10 FECDRO Oc1cccc(Br)c1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922620314 683756105 /nfs/dbraw/zinc/75/61/05/683756105.db2.gz QQEXUFVNZMVEHI-UHFFFAOYSA-N 1 0 372.259 2.293 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)O[C@H](C)COC)cc2F)CC1 ZINC000866746718 684144348 /nfs/dbraw/zinc/14/43/48/684144348.db2.gz DPRDJDUZHVUZIW-CQSZACIVSA-N 1 0 353.438 2.229 20 10 FECDRO C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000925797247 684587182 /nfs/dbraw/zinc/58/71/82/684587182.db2.gz MURRHPAETAPDJY-APWZRJJASA-N 1 0 365.543 2.104 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)CC(C)(C)O)cc2F)C[C@@H](C)O1 ZINC000872201094 684926876 /nfs/dbraw/zinc/92/68/76/684926876.db2.gz OCQJRBLQMCCZQE-FMKPAKJESA-N 1 0 354.466 2.051 20 10 FECDRO [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000876776597 686266734 /nfs/dbraw/zinc/26/67/34/686266734.db2.gz IKLQORJRBQWYJH-ZIAGYGMSSA-N 1 0 351.397 2.421 20 10 FECDRO Cc1csc(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881853914 687234969 /nfs/dbraw/zinc/23/49/69/687234969.db2.gz OFNXOOCRZCQAHE-UHFFFAOYSA-N 1 0 358.511 2.452 20 10 FECDRO C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882886853 687523707 /nfs/dbraw/zinc/52/37/07/687523707.db2.gz PKWXRDVWFYHIMN-UHFFFAOYSA-N 1 0 374.298 2.409 20 10 FECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000886623756 688284373 /nfs/dbraw/zinc/28/43/73/688284373.db2.gz NFLUTCRTZIBICN-ZIAGYGMSSA-N 1 0 354.397 2.233 20 10 FECDRO COc1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c(O)c1OC ZINC000893513675 689359843 /nfs/dbraw/zinc/35/98/43/689359843.db2.gz SZYCEVNZGMTHLI-AWEZNQCLSA-N 1 0 351.443 2.427 20 10 FECDRO Cc1nnc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000894097418 689465925 /nfs/dbraw/zinc/46/59/25/689465925.db2.gz BXTAATXZGXQKEF-OAHLLOKOSA-N 1 0 362.503 2.015 20 10 FECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000895076941 689655251 /nfs/dbraw/zinc/65/52/51/689655251.db2.gz WVONEJVYKRIJMK-AWEZNQCLSA-N 1 0 363.435 2.034 20 10 FECDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895836608 689777862 /nfs/dbraw/zinc/77/78/62/689777862.db2.gz NTRXOUVIJIZADP-MRXNPFEDSA-N 1 0 362.367 2.409 20 10 FECDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c(O)c1OC ZINC000895997452 689805030 /nfs/dbraw/zinc/80/50/30/689805030.db2.gz JBADFFMVYVWLPA-OAHLLOKOSA-N 1 0 351.443 2.475 20 10 FECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c(O)c1OC ZINC000896054445 689812982 /nfs/dbraw/zinc/81/29/82/689812982.db2.gz JQJNHSWONMKBCA-VODUFIJXSA-N 1 0 351.443 2.472 20 10 FECDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897421500 690021120 /nfs/dbraw/zinc/02/11/20/690021120.db2.gz GVEFWYYUZMWGPG-GFCCVEGCSA-N 1 0 363.483 2.068 20 10 FECDRO CCOc1cccc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1O ZINC000898285935 690154275 /nfs/dbraw/zinc/15/42/75/690154275.db2.gz ANADUYMIEHJZBH-UHFFFAOYSA-N 1 0 364.467 2.477 20 10 FECDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)N(C)C)cc1 ZINC000898450903 690185575 /nfs/dbraw/zinc/18/55/75/690185575.db2.gz VKMQGWUATHDQQT-QRQLOZEOSA-N 1 0 367.559 2.301 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CCCCCO)[NH+](C)C)cc1 ZINC000899103651 690305087 /nfs/dbraw/zinc/30/50/87/690305087.db2.gz NXZQXTZLVGRDGU-SFHVURJKSA-N 1 0 350.507 2.159 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CCCCCO)[NH+](C)C)cc1 ZINC000899103650 690305154 /nfs/dbraw/zinc/30/51/54/690305154.db2.gz NXZQXTZLVGRDGU-GOSISDBHSA-N 1 0 350.507 2.159 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCOC34CCCC4)cc2)CC1 ZINC000903096354 690844036 /nfs/dbraw/zinc/84/40/36/690844036.db2.gz BSFGPXDBNGHUGX-SFHVURJKSA-N 1 0 364.511 2.113 20 10 FECDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000328641700 210122253 /nfs/dbraw/zinc/12/22/53/210122253.db2.gz QSXSYTDDHIHWTO-WMZOPIPTSA-N 1 0 360.433 2.016 20 10 FECDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)NCCF ZINC000800498201 674057512 /nfs/dbraw/zinc/05/75/12/674057512.db2.gz FBRXETJBFCUJEM-CHWSQXEVSA-N 1 0 357.857 2.301 20 10 FECDRO COCCCNC(=O)C1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079401835 542517032 /nfs/dbraw/zinc/51/70/32/542517032.db2.gz ZOJUZXXFOMDXPC-UHFFFAOYSA-N 1 0 366.433 2.099 20 10 FECDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092188234 542847819 /nfs/dbraw/zinc/84/78/19/542847819.db2.gz IFDFCKWFSOQTKT-ZDUSSCGKSA-N 1 0 354.248 2.144 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000108928293 543308552 /nfs/dbraw/zinc/30/85/52/543308552.db2.gz GYWNXQLHWNSMOF-UHFFFAOYSA-N 1 0 362.518 2.340 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000114750590 543534952 /nfs/dbraw/zinc/53/49/52/543534952.db2.gz YLLLQIHNPVWQNC-CZUORRHYSA-N 1 0 371.403 2.337 20 10 FECDRO [NH3+][C@@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000129743602 544125889 /nfs/dbraw/zinc/12/58/89/544125889.db2.gz SASPNSACJSCTCM-SFHVURJKSA-N 1 0 357.429 2.369 20 10 FECDRO C[C@@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccccc1O ZINC000154181541 544873808 /nfs/dbraw/zinc/87/38/08/544873808.db2.gz KPGAKMXLHPGTIH-CQSZACIVSA-N 1 0 354.454 2.340 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000159408964 545951163 /nfs/dbraw/zinc/95/11/63/545951163.db2.gz RBPSTGAJAQDGDT-HNNXBMFYSA-N 1 0 356.488 2.085 20 10 FECDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000175592235 546317265 /nfs/dbraw/zinc/31/72/65/546317265.db2.gz OWGLQMQMKIGVAK-UXHICEINSA-N 1 0 358.530 2.270 20 10 FECDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1O ZINC000183552597 547680138 /nfs/dbraw/zinc/68/01/38/547680138.db2.gz JZSNHOUUJBRCKH-SNVBAGLBSA-N 1 0 352.378 2.357 20 10 FECDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c(O)c1 ZINC000184981056 547911202 /nfs/dbraw/zinc/91/12/02/547911202.db2.gz UHWXVRSYPSCZMM-QGZVFWFLSA-N 1 0 355.486 2.354 20 10 FECDRO Cc1cc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)n1-c1ccccc1 ZINC000237693242 548845389 /nfs/dbraw/zinc/84/53/89/548845389.db2.gz SOJGRGYRMCVKMX-KRWDZBQOSA-N 1 0 368.481 2.021 20 10 FECDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000238175109 548880287 /nfs/dbraw/zinc/88/02/87/548880287.db2.gz JXUCUFLGBDEISL-IHWFROFDSA-N 1 0 371.525 2.432 20 10 FECDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000267281996 550029376 /nfs/dbraw/zinc/02/93/76/550029376.db2.gz IAKQYQCWUBFPIY-SFHVURJKSA-N 1 0 360.502 2.006 20 10 FECDRO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000268565435 550087756 /nfs/dbraw/zinc/08/77/56/550087756.db2.gz FPORJPYILZGTCZ-LJQANCHMSA-N 1 0 374.529 2.090 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)CC[C@H]3CC[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000270309801 550260945 /nfs/dbraw/zinc/26/09/45/550260945.db2.gz DZYJOKZLFLJSJT-XHSDSOJGSA-N 1 0 363.477 2.445 20 10 FECDRO C[N@@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000272594545 550460033 /nfs/dbraw/zinc/46/00/33/550460033.db2.gz IEZCHTQVWBJILJ-NKVQNLSVSA-N 1 0 355.482 2.089 20 10 FECDRO COc1cccc(CN(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000272987639 550479545 /nfs/dbraw/zinc/47/95/45/550479545.db2.gz YWVKANFUUKVRER-ZDUSSCGKSA-N 1 0 366.458 2.069 20 10 FECDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000273263123 550492269 /nfs/dbraw/zinc/49/22/69/550492269.db2.gz TZOPQULHVXYKNU-AWEZNQCLSA-N 1 0 351.466 2.445 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC(C)(C)OC)CC2)cc1 ZINC000278482994 550791093 /nfs/dbraw/zinc/79/10/93/550791093.db2.gz KGNQEBAGYOMLQQ-UHFFFAOYSA-N 1 0 363.502 2.139 20 10 FECDRO Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000280748265 551027929 /nfs/dbraw/zinc/02/79/29/551027929.db2.gz PQFYQXSLSIPYIY-HXUWFJFHSA-N 1 0 371.456 2.411 20 10 FECDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000287313904 551988376 /nfs/dbraw/zinc/98/83/76/551988376.db2.gz FCHOUYGSGNZYLL-HNNXBMFYSA-N 1 0 352.450 2.245 20 10 FECDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000290127900 552431345 /nfs/dbraw/zinc/43/13/45/552431345.db2.gz ZXJUZBLIBVDTAB-HXUWFJFHSA-N 1 0 363.477 2.352 20 10 FECDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290145041 552434289 /nfs/dbraw/zinc/43/42/89/552434289.db2.gz CJAIJQCBARFABI-CQSZACIVSA-N 1 0 358.479 2.136 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)cc1OC ZINC000291198922 552599031 /nfs/dbraw/zinc/59/90/31/552599031.db2.gz HJYCBELRKYFNBH-CYBMUJFWSA-N 1 0 360.385 2.444 20 10 FECDRO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000294662516 552924816 /nfs/dbraw/zinc/92/48/16/552924816.db2.gz AHFHRXLDLBUNBL-DEOSSOPVSA-N 1 0 353.484 2.285 20 10 FECDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000294919646 552944257 /nfs/dbraw/zinc/94/42/57/552944257.db2.gz IJBDEDVEPJSOCY-IBGZPJMESA-N 1 0 361.530 2.190 20 10 FECDRO COC1CCN(c2ccc(CN3CC[N@H+](C[C@H](C)O)C[C@@H]3C)cc2)CC1 ZINC000295653040 553039335 /nfs/dbraw/zinc/03/93/35/553039335.db2.gz DEYQDVHEPVTABK-ROUUACIJSA-N 1 0 361.530 2.189 20 10 FECDRO COC1CCN(c2ccc(C[N@H+](C)[C@H](C)CN3CCOCC3)cc2)CC1 ZINC000296102323 553104671 /nfs/dbraw/zinc/10/46/71/553104671.db2.gz UQDDIWZVYWLNHZ-GOSISDBHSA-N 1 0 361.530 2.454 20 10 FECDRO C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000296610315 553187379 /nfs/dbraw/zinc/18/73/79/553187379.db2.gz WGMXZELKTSSJHV-KSSFIOAISA-N 1 0 370.490 2.016 20 10 FECDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CC[C@@H]12 ZINC000366481799 555856504 /nfs/dbraw/zinc/85/65/04/555856504.db2.gz LMPZNRNGSPVOHA-QZTJIDSGSA-N 1 0 366.417 2.066 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000367069476 556000884 /nfs/dbraw/zinc/00/08/84/556000884.db2.gz WKMQLTDGGVBCLC-UQIDSAAFSA-N 1 0 357.498 2.356 20 10 FECDRO Cc1cc(O)c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1C ZINC000367141039 556002123 /nfs/dbraw/zinc/00/21/23/556002123.db2.gz OZVFMWDDVVQHKV-UHFFFAOYSA-N 1 0 352.500 2.399 20 10 FECDRO Fc1ccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000367722781 556123739 /nfs/dbraw/zinc/12/37/39/556123739.db2.gz RKTYDWVASZLVBP-UHFFFAOYSA-N 1 0 356.445 2.380 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCCN(Cc3ncc(Cl)n3C)CC2)c1 ZINC000367730084 556125110 /nfs/dbraw/zinc/12/51/10/556125110.db2.gz WEZXNQUCAXMOEF-UHFFFAOYSA-N 1 0 364.877 2.496 20 10 FECDRO CCc1nc(CN2C[C@@H]3C[NH+]([C@H](C)c4cc(OC)ccc4O)C[C@H]3C2)no1 ZINC000368017601 556196168 /nfs/dbraw/zinc/19/61/68/556196168.db2.gz HVUZCFXKTQLQDE-RBSFLKMASA-N 1 0 372.469 2.471 20 10 FECDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)nn1 ZINC000368106398 556220252 /nfs/dbraw/zinc/22/02/52/556220252.db2.gz FFAMWGWADOQSCR-CQSZACIVSA-N 1 0 352.394 2.371 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3cnccn3)CC2)c1 ZINC000368219735 556251227 /nfs/dbraw/zinc/25/12/27/556251227.db2.gz ADXFNRSYOROBHX-CYBMUJFWSA-N 1 0 356.426 2.146 20 10 FECDRO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000369025168 556479732 /nfs/dbraw/zinc/47/97/32/556479732.db2.gz KEJLXURLPQQCOI-HNNXBMFYSA-N 1 0 372.469 2.180 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000369423511 556597145 /nfs/dbraw/zinc/59/71/45/556597145.db2.gz GJIDAJFVKWTTPZ-DNVCBOLYSA-N 1 0 371.485 2.350 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000369423510 556597390 /nfs/dbraw/zinc/59/73/90/556597390.db2.gz GJIDAJFVKWTTPZ-BEFAXECRSA-N 1 0 371.485 2.350 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000369966514 556743945 /nfs/dbraw/zinc/74/39/45/556743945.db2.gz AQRYLVXTAZWHSC-ICSRJNTNSA-N 1 0 357.498 2.356 20 10 FECDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC[NH2+]CC1 ZINC000370783571 556966811 /nfs/dbraw/zinc/96/68/11/556966811.db2.gz ZMWWHSBJWPKPCH-UHFFFAOYSA-N 1 0 353.413 2.373 20 10 FECDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372081581 557375703 /nfs/dbraw/zinc/37/57/03/557375703.db2.gz OHZOURMOFSYEAE-NHCUHLMSSA-N 1 0 357.498 2.499 20 10 FECDRO C[C@@]1([C@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)NC(=O)NC1=O ZINC000372410662 557463761 /nfs/dbraw/zinc/46/37/61/557463761.db2.gz VBAQUNLUSYOMIL-XOBRGWDASA-N 1 0 353.422 2.356 20 10 FECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000373369156 557680947 /nfs/dbraw/zinc/68/09/47/557680947.db2.gz JIWJWSIFZRKHFP-SFHVURJKSA-N 1 0 370.453 2.170 20 10 FECDRO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccnc3)CC2)c(O)c1 ZINC000373664478 557734008 /nfs/dbraw/zinc/73/40/08/557734008.db2.gz DDUJBUFVKQSUEN-UHFFFAOYSA-N 1 0 355.438 2.324 20 10 FECDRO COc1cc(O)c(C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)cc1OC ZINC000374325793 557865699 /nfs/dbraw/zinc/86/56/99/557865699.db2.gz CMKDJAMDWDFDIE-HNNXBMFYSA-N 1 0 372.421 2.139 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375845472 558088400 /nfs/dbraw/zinc/08/84/00/558088400.db2.gz BOGVYUKRRLNPOM-WBVHZDCISA-N 1 0 373.476 2.325 20 10 FECDRO COC(=O)c1ccnc(N2CCC[N@H+](Cc3cc(F)ccc3O)CC2)c1 ZINC000376829780 558226701 /nfs/dbraw/zinc/22/67/01/558226701.db2.gz WKSPAVYZXNGBIW-UHFFFAOYSA-N 1 0 359.401 2.425 20 10 FECDRO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2cc(C)ccc2O)CC(=O)N1C ZINC000377300050 558309475 /nfs/dbraw/zinc/30/94/75/558309475.db2.gz SQUNAQYIJFTCDQ-OXJNMPFZSA-N 1 0 356.470 2.360 20 10 FECDRO Cn1cc([C@@H]2[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)CCC[N@@H+]2C)cn1 ZINC000378537491 558577829 /nfs/dbraw/zinc/57/78/29/558577829.db2.gz FAJKQWDKCWXNPJ-OFENVMMZSA-N 1 0 370.453 2.044 20 10 FECDRO CCNC(=O)[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435621183 559926395 /nfs/dbraw/zinc/92/63/95/559926395.db2.gz JOHLWISIWBDUEN-HNNXBMFYSA-N 1 0 370.497 2.049 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000527467020 562289079 /nfs/dbraw/zinc/28/90/79/562289079.db2.gz PYIWLYRHRRUVFL-INIZCTEOSA-N 1 0 371.529 2.169 20 10 FECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528710631 562343207 /nfs/dbraw/zinc/34/32/07/562343207.db2.gz KQHGSVLRRYSSRF-LBPRGKRZSA-N 1 0 357.410 2.333 20 10 FECDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000821611162 607386991 /nfs/dbraw/zinc/38/69/91/607386991.db2.gz SSGXBSLEQWRXPP-UHFFFAOYSA-N 1 0 362.441 2.212 20 10 FECDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CCS(=O)(=O)CC1 ZINC000809713167 674506771 /nfs/dbraw/zinc/50/67/71/674506771.db2.gz KMHORZIYQFZPKQ-SNVBAGLBSA-N 1 0 362.289 2.458 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000826210431 608500328 /nfs/dbraw/zinc/50/03/28/608500328.db2.gz RGNNHCAVFICVGP-LLVKDONJSA-N 1 0 355.398 2.440 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2OC)c1 ZINC000826210260 608500565 /nfs/dbraw/zinc/50/05/65/608500565.db2.gz KNEVQZNBKGGVOT-NSHDSACASA-N 1 0 355.398 2.440 20 10 FECDRO C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817935477 675187199 /nfs/dbraw/zinc/18/71/99/675187199.db2.gz HHOZDQVTLQALIQ-LLVKDONJSA-N 1 0 360.271 2.240 20 10 FECDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000127446885 672037284 /nfs/dbraw/zinc/03/72/84/672037284.db2.gz SXYQHJVHTYFFOY-KBPBESRZSA-N 1 0 358.479 2.136 20 10 FECDRO CCS(=O)(=O)NCCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000130425349 672075625 /nfs/dbraw/zinc/07/56/25/672075625.db2.gz IEHQAVLAKJALKC-UHFFFAOYSA-N 1 0 353.532 2.438 20 10 FECDRO C[NH+](C)CCn1ccc(NC(=O)NCCCSc2nccs2)n1 ZINC000154849128 672222717 /nfs/dbraw/zinc/22/27/17/672222717.db2.gz FBPLAFKWFMQSHE-UHFFFAOYSA-N 1 0 354.505 2.205 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H](C)SC)CC2)cc1 ZINC000156279168 672244211 /nfs/dbraw/zinc/24/42/11/672244211.db2.gz SVUVBYVSCYTCDK-MRXNPFEDSA-N 1 0 365.543 2.465 20 10 FECDRO COc1cc(Br)cc(C[NH+]2CCC(CC(N)=O)CC2)c1O ZINC000159735023 672285118 /nfs/dbraw/zinc/28/51/18/672285118.db2.gz CCNCQFRZGFVLLX-UHFFFAOYSA-N 1 0 357.248 2.251 20 10 FECDRO O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000249540995 672872207 /nfs/dbraw/zinc/87/22/07/672872207.db2.gz DXJVRTUHAKNUEH-ZIAGYGMSSA-N 1 0 353.413 2.373 20 10 FECDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000733301627 673407692 /nfs/dbraw/zinc/40/76/92/673407692.db2.gz VNFMXCZZBOVVNM-OAHLLOKOSA-N 1 0 364.467 2.068 20 10 FECDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)CC(F)(F)F ZINC000819122653 675262455 /nfs/dbraw/zinc/26/24/55/675262455.db2.gz XZWNGKGULXIGEB-ZDUSSCGKSA-N 1 0 350.356 2.190 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000819377965 675286441 /nfs/dbraw/zinc/28/64/41/675286441.db2.gz XULSGBITWJHJFQ-VQIMIIECSA-N 1 0 350.503 2.138 20 10 FECDRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823729962 675569246 /nfs/dbraw/zinc/56/92/46/675569246.db2.gz PVBZUTMSUHFIMD-UHFFFAOYSA-N 1 0 367.540 2.413 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cc1Cl ZINC000825484182 675655575 /nfs/dbraw/zinc/65/55/75/675655575.db2.gz IKQJATDEQLGIPS-HNNXBMFYSA-N 1 0 362.861 2.368 20 10 FECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000825556133 675658671 /nfs/dbraw/zinc/65/86/71/675658671.db2.gz OBAFXVLUWFSUCF-DZGCQCFKSA-N 1 0 360.248 2.065 20 10 FECDRO O=C(CC1(O)CCC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095920 675728822 /nfs/dbraw/zinc/72/88/22/675728822.db2.gz NTRARKHOYJJIOL-HNNXBMFYSA-N 1 0 352.862 2.431 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000761076994 680710038 /nfs/dbraw/zinc/71/00/38/680710038.db2.gz OOSCFPHACOLUCE-LSDHHAIUSA-N 1 0 363.845 2.437 20 10 FECDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000761206702 680714987 /nfs/dbraw/zinc/71/49/87/680714987.db2.gz NTPJFDKCRKNNJB-YGRLFVJLSA-N 1 0 364.833 2.071 20 10 FECDRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000839127893 680740118 /nfs/dbraw/zinc/74/01/18/680740118.db2.gz JAGJICJTCNVSDM-GFCCVEGCSA-N 1 0 350.440 2.160 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1 ZINC000839175475 680742977 /nfs/dbraw/zinc/74/29/77/680742977.db2.gz QBASGYNWSFSDPH-SUMWQHHRSA-N 1 0 351.443 2.467 20 10 FECDRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000839564714 680761963 /nfs/dbraw/zinc/76/19/63/680761963.db2.gz XPJRWAAUWMESNY-CQSZACIVSA-N 1 0 370.515 2.160 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000764750479 680820200 /nfs/dbraw/zinc/82/02/00/680820200.db2.gz KMASAEJJMKHWLC-ZIAGYGMSSA-N 1 0 372.918 2.262 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000840937456 680855098 /nfs/dbraw/zinc/85/50/98/680855098.db2.gz KAIPWYRTURYOEG-UHFFFAOYSA-N 1 0 351.516 2.107 20 10 FECDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)nn1 ZINC000840938813 680855111 /nfs/dbraw/zinc/85/51/11/680855111.db2.gz HJIKPTRAYSLTRO-LLVKDONJSA-N 1 0 350.806 2.179 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000840948348 680855926 /nfs/dbraw/zinc/85/59/26/680855926.db2.gz PNGVOGGQHIMXCI-INIZCTEOSA-N 1 0 353.532 2.164 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CSC[C@H]2CCCCO2)cc1 ZINC000832278458 680119624 /nfs/dbraw/zinc/11/96/24/680119624.db2.gz CKRCCAFCUXXLDW-IAGOWNOFSA-N 1 0 351.516 2.171 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000835044149 680290570 /nfs/dbraw/zinc/29/05/70/680290570.db2.gz XEGUWHTUTMQPDX-ARJAWSKDSA-N 1 0 363.527 2.312 20 10 FECDRO COc1cc(Br)cc(C[NH+]2CCC3(COC(=O)N3)CC2)c1O ZINC000753587121 680305353 /nfs/dbraw/zinc/30/53/53/680305353.db2.gz LZXOMXSQOGDQRK-UHFFFAOYSA-N 1 0 371.231 2.238 20 10 FECDRO COc1cc(C)cc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1O ZINC000754726972 680373588 /nfs/dbraw/zinc/37/35/88/680373588.db2.gz CIZGZCWJANISPU-UHFFFAOYSA-N 1 0 362.455 2.411 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000756488155 680481237 /nfs/dbraw/zinc/48/12/37/680481237.db2.gz LDRHWEYFDJGGMV-XJKSGUPXSA-N 1 0 352.500 2.346 20 10 FECDRO C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](C)[NH3+] ZINC000841843399 680914366 /nfs/dbraw/zinc/91/43/66/680914366.db2.gz HEGFBLULDJGBJV-XQQFMLRXSA-N 1 0 356.417 2.292 20 10 FECDRO C[C@@H](CC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843654 680914501 /nfs/dbraw/zinc/91/45/01/680914501.db2.gz LBSFRJPETLDZNM-STQMWFEESA-N 1 0 356.417 2.293 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000842012746 680922004 /nfs/dbraw/zinc/92/20/04/680922004.db2.gz AVCDQBSLVSRPIS-WCFLWFBJSA-N 1 0 368.275 2.342 20 10 FECDRO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)Oc2ccccc21 ZINC000842722211 680962070 /nfs/dbraw/zinc/96/20/70/680962070.db2.gz OAPSPNFERFKMOT-CYBMUJFWSA-N 1 0 353.827 2.370 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2sccc2Cl)cc1 ZINC000842786282 680966484 /nfs/dbraw/zinc/96/64/84/680966484.db2.gz VIBZKKXPCXSVGC-ZDUSSCGKSA-N 1 0 359.904 2.446 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1O ZINC000842885174 680973548 /nfs/dbraw/zinc/97/35/48/680973548.db2.gz WKHWAXLHMRQBPQ-WCQYABFASA-N 1 0 351.399 2.417 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058795 680985110 /nfs/dbraw/zinc/98/51/10/680985110.db2.gz YJUVUDDPEKTRSV-YOEHRIQHSA-N 1 0 365.905 2.434 20 10 FECDRO CN(C)c1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000843124738 680989097 /nfs/dbraw/zinc/98/90/97/680989097.db2.gz MFEWPSOVMSZHRV-INIZCTEOSA-N 1 0 356.436 2.251 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843377164 681000590 /nfs/dbraw/zinc/00/05/90/681000590.db2.gz QANVTEKGERYFLV-HNNXBMFYSA-N 1 0 367.877 2.068 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844980208 681096464 /nfs/dbraw/zinc/09/64/64/681096464.db2.gz XFYUCBPLPLFMSZ-INIZCTEOSA-N 1 0 367.877 2.488 20 10 FECDRO COc1c(O)c(C[NH2+][C@@H](C)C(=O)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775007364 681267343 /nfs/dbraw/zinc/26/73/43/681267343.db2.gz LPKQSGFZOYYYGB-RYUDHWBXSA-N 1 0 351.403 2.188 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000775370334 681301539 /nfs/dbraw/zinc/30/15/39/681301539.db2.gz UQNIIFKGFBVMOX-SGTLLEGYSA-N 1 0 365.451 2.189 20 10 FECDRO O=C1[C@H]([NH2+]Cc2cc(Br)ccc2O)CCN1C1CCOCC1 ZINC000776230446 681375031 /nfs/dbraw/zinc/37/50/31/681375031.db2.gz IPAJODLNLCEZTB-CQSZACIVSA-N 1 0 369.259 2.024 20 10 FECDRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847591598 681400284 /nfs/dbraw/zinc/40/02/84/681400284.db2.gz XINZRLZJGZDXFZ-ZDUSSCGKSA-N 1 0 364.833 2.177 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000848552359 681576341 /nfs/dbraw/zinc/57/63/41/681576341.db2.gz LDJSFVQWVGKXSP-NXEZZACHSA-N 1 0 357.248 2.340 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000848553765 681576883 /nfs/dbraw/zinc/57/68/83/681576883.db2.gz QQBPLDMJFDZNLQ-VIFPVBQESA-N 1 0 357.248 2.470 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[NH2+]C(C)(C)C ZINC000935244439 681716598 /nfs/dbraw/zinc/71/65/98/681716598.db2.gz VBFVWSPXIRCULE-UHFFFAOYSA-N 1 0 356.850 2.325 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@]2(OCCO)CCOC2)c(C(F)(F)F)c1 ZINC000850358812 681891134 /nfs/dbraw/zinc/89/11/34/681891134.db2.gz XBGGFRUYFZLBPC-MRXNPFEDSA-N 1 0 362.392 2.029 20 10 FECDRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000783506264 682148232 /nfs/dbraw/zinc/14/82/32/682148232.db2.gz TUTYVMVAJWCFID-CQSZACIVSA-N 1 0 364.467 2.168 20 10 FECDRO COc1cc(C)cc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1O ZINC000853530523 682428486 /nfs/dbraw/zinc/42/84/86/682428486.db2.gz NDZXUSGBUBJNPP-AAEUAGOBSA-N 1 0 367.389 2.117 20 10 FECDRO CCS(=O)(=O)NCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792948601 682850698 /nfs/dbraw/zinc/85/06/98/682850698.db2.gz YNEMCNRYRBFBNN-UHFFFAOYSA-N 1 0 367.437 2.190 20 10 FECDRO COC(=O)[C@]12C[N@H+](Cc3cc(Br)ccc3O)C[C@H]1COCC2 ZINC000793346443 682883530 /nfs/dbraw/zinc/88/35/30/682883530.db2.gz QAWIHSWLKXJJEA-BLLLJJGKSA-N 1 0 370.243 2.166 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccnn2C)c1O ZINC000927131748 683210914 /nfs/dbraw/zinc/21/09/14/683210914.db2.gz QRFNTQJKCJUIPV-RNCFNFMXSA-N 1 0 370.247 2.281 20 10 FECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000797095692 683222191 /nfs/dbraw/zinc/22/21/91/683222191.db2.gz FMHDUNUZQQKKQY-YRGRVCCFSA-N 1 0 356.463 2.483 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927633589 683279982 /nfs/dbraw/zinc/27/99/82/683279982.db2.gz ODAJRYLYZFLHGT-HNNXBMFYSA-N 1 0 353.850 2.098 20 10 FECDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000861558610 683435184 /nfs/dbraw/zinc/43/51/84/683435184.db2.gz HSRCIKOIUPQIDL-SFHVURJKSA-N 1 0 362.543 2.379 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)CC(C)(C)C)cc2F)CC1 ZINC000799768806 683492369 /nfs/dbraw/zinc/49/23/69/683492369.db2.gz MEEWEGXUSQWBQR-UHFFFAOYSA-N 1 0 371.522 2.433 20 10 FECDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862552308 683600902 /nfs/dbraw/zinc/60/09/02/683600902.db2.gz VVBALRLWGUWDRP-UKINESCASA-N 1 0 351.516 2.027 20 10 FECDRO C[C@H]([NH2+]CC[S@@](=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000930209772 683693702 /nfs/dbraw/zinc/69/37/02/683693702.db2.gz IJPYEMNEAAPJFY-DAOPMYJZSA-N 1 0 350.406 2.442 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC3CSC3)cc2F)CC1 ZINC000865202881 683950483 /nfs/dbraw/zinc/95/04/83/683950483.db2.gz VTXRIMLSZIXQBH-UHFFFAOYSA-N 1 0 351.491 2.337 20 10 FECDRO Fc1cc(C[NH2+][C@H]2CCOC23CCOCC3)ccc1N1CCOCC1 ZINC000924711346 684481978 /nfs/dbraw/zinc/48/19/78/684481978.db2.gz SLYJGQLQZPIISY-SFHVURJKSA-N 1 0 350.434 2.090 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876878855 686286342 /nfs/dbraw/zinc/28/63/42/686286342.db2.gz CFCISEMQIMQGAS-IRBQFCFKSA-N 1 0 366.845 2.103 20 10 FECDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)OC ZINC000877031210 686314500 /nfs/dbraw/zinc/31/45/00/686314500.db2.gz RRCLOYKSQPTRLI-CRAIPNDOSA-N 1 0 354.516 2.072 20 10 FECDRO CO[C@@]1(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCOC1 ZINC000877034065 686315375 /nfs/dbraw/zinc/31/53/75/686315375.db2.gz XGIXADLEZJWRRD-SJLPKXTDSA-N 1 0 354.878 2.405 20 10 FECDRO OC1CCN(c2ccc(C[N@@H+]3CCCN(CC(F)F)CC3)cc2)CC1 ZINC000877529006 686401935 /nfs/dbraw/zinc/40/19/35/686401935.db2.gz PSPWELFURXEHTB-UHFFFAOYSA-N 1 0 353.457 2.421 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)CCOCC(F)(F)F)cc2)CC1 ZINC000881850519 687233666 /nfs/dbraw/zinc/23/36/66/687233666.db2.gz XLJJDYCMLNVPBH-UHFFFAOYSA-N 1 0 359.392 2.024 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)c3scnc3Cl)cc2)CC1 ZINC000881849769 687233717 /nfs/dbraw/zinc/23/37/17/687233717.db2.gz ISGPAFFQHZXPAA-UHFFFAOYSA-N 1 0 350.875 2.478 20 10 FECDRO COc1cc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000886319638 688230411 /nfs/dbraw/zinc/23/04/11/688230411.db2.gz KBOMZDATWINDAA-UHFFFAOYSA-N 1 0 370.515 2.212 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892590735 689215706 /nfs/dbraw/zinc/21/57/06/689215706.db2.gz JVDLPBCMPWISOA-ZOZIMZAQSA-N 1 0 368.275 2.485 20 10 FECDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c1O ZINC000894165723 689478429 /nfs/dbraw/zinc/47/84/29/689478429.db2.gz FMUFNQXIYLDJRS-UHFFFAOYSA-N 1 0 364.467 2.249 20 10 FECDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894401822 689525050 /nfs/dbraw/zinc/52/50/50/689525050.db2.gz HKIQXIAKMUDZPR-HNNXBMFYSA-N 1 0 363.332 2.337 20 10 FECDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1csnn1 ZINC000895375695 689705288 /nfs/dbraw/zinc/70/52/88/689705288.db2.gz BEGVLAVZLYREDO-WBMJQRKESA-N 1 0 362.503 2.267 20 10 FECDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000896277892 689847758 /nfs/dbraw/zinc/84/77/58/689847758.db2.gz UWOMLSJGAUOGDX-UHFFFAOYSA-N 1 0 352.431 2.213 20 10 FECDRO C[C@@H](CCO)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099120 690303951 /nfs/dbraw/zinc/30/39/51/690303951.db2.gz VQQPQFOFUIAPNU-CRAIPNDOSA-N 1 0 350.507 2.063 20 10 FECDRO COC(C)(C)CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101936 690304465 /nfs/dbraw/zinc/30/44/65/690304465.db2.gz NJTXPDAWBCOJJO-KRWDZBQOSA-N 1 0 350.507 2.422 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000359958864 210201248 /nfs/dbraw/zinc/20/12/48/210201248.db2.gz LDRDJUIODSUBNX-GOEBONIOSA-N 1 0 353.894 2.103 20 10 FECDRO C[NH+](C)CCC1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000054785875 540609664 /nfs/dbraw/zinc/60/96/64/540609664.db2.gz XSVFBDQWTPFSFY-UHFFFAOYSA-N 1 0 374.529 2.397 20 10 FECDRO Cc1cc(C(=O)NCCCN2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000061523889 541131895 /nfs/dbraw/zinc/13/18/95/541131895.db2.gz FBOHXNCORJZKSG-UHFFFAOYSA-N 1 0 354.498 2.461 20 10 FECDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000085394458 542726469 /nfs/dbraw/zinc/72/64/69/542726469.db2.gz ANAVHUZUPLTVOQ-LPHOPBHVSA-N 1 0 360.502 2.005 20 10 FECDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000089638586 542767660 /nfs/dbraw/zinc/76/76/60/542767660.db2.gz RQOUWSZEGBOGQB-ZIAGYGMSSA-N 1 0 358.479 2.136 20 10 FECDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093147328 542913343 /nfs/dbraw/zinc/91/33/43/542913343.db2.gz YSWWXSFIFAVUAH-QFIPXVFZSA-N 1 0 372.557 2.125 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000107325679 543266432 /nfs/dbraw/zinc/26/64/32/543266432.db2.gz VWKGHVKWIJYIDK-FQEVSTJZSA-N 1 0 373.545 2.064 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCCN(CC(=O)N(CC)CC)CC2)c1O ZINC000129234266 544099416 /nfs/dbraw/zinc/09/94/16/544099416.db2.gz JBGHLJDJSRJOLY-UHFFFAOYSA-N 1 0 363.502 2.167 20 10 FECDRO O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000131352796 544186894 /nfs/dbraw/zinc/18/68/94/544186894.db2.gz MEUQZOCNFZUCLL-DLBZAZTESA-N 1 0 354.429 2.050 20 10 FECDRO Cc1cc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]n1 ZINC000134259564 544300621 /nfs/dbraw/zinc/30/06/21/544300621.db2.gz FFIZRYFZMPUHBM-HNNXBMFYSA-N 1 0 362.861 2.400 20 10 FECDRO CN(C)c1ccc(CNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000135518490 544350378 /nfs/dbraw/zinc/35/03/78/544350378.db2.gz OWCBONVGPBJPLQ-UHFFFAOYSA-N 1 0 371.485 2.087 20 10 FECDRO C[C@H]([NH2+]CCCN1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151178036 544513037 /nfs/dbraw/zinc/51/30/37/544513037.db2.gz JFNCAVJRCJGHMG-INIZCTEOSA-N 1 0 351.466 2.035 20 10 FECDRO COCCC[NH+]1CCC(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000171203537 546197086 /nfs/dbraw/zinc/19/70/86/546197086.db2.gz GQMQTXCHPIOUAX-UHFFFAOYSA-N 1 0 374.529 2.369 20 10 FECDRO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179554367 546976482 /nfs/dbraw/zinc/97/64/82/546976482.db2.gz QFILEDGLLUNRHO-UHFFFAOYSA-N 1 0 364.442 2.428 20 10 FECDRO Cc1cccc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1O ZINC000179624186 546987446 /nfs/dbraw/zinc/98/74/46/546987446.db2.gz FMWMLNPVJIJNBY-UHFFFAOYSA-N 1 0 370.478 2.088 20 10 FECDRO Cc1cc(Cl)cc(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)c1O ZINC000179659134 546994310 /nfs/dbraw/zinc/99/43/10/546994310.db2.gz CVRWMMZYPSQWTF-UHFFFAOYSA-N 1 0 372.860 2.353 20 10 FECDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185971121 548067195 /nfs/dbraw/zinc/06/71/95/548067195.db2.gz VQQVFOSDADZYGK-SNVBAGLBSA-N 1 0 365.293 2.133 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247984845 549398302 /nfs/dbraw/zinc/39/83/02/549398302.db2.gz IRSRQMLIUBLMDV-AZUAARDMSA-N 1 0 358.530 2.127 20 10 FECDRO Nc1ccc(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000263231438 549887164 /nfs/dbraw/zinc/88/71/64/549887164.db2.gz CDJUMUHGAIYUKZ-UHFFFAOYSA-N 1 0 352.482 2.140 20 10 FECDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000266128474 550017351 /nfs/dbraw/zinc/01/73/51/550017351.db2.gz CHRYTBNRRWXEHF-UHFFFAOYSA-N 1 0 356.378 2.026 20 10 FECDRO COc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000266633315 550022406 /nfs/dbraw/zinc/02/24/06/550022406.db2.gz AGWUWWVDJFFFBF-KRWDZBQOSA-N 1 0 355.438 2.475 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266845419 550024606 /nfs/dbraw/zinc/02/46/06/550024606.db2.gz JJLOFOIEHMICCF-IBGZPJMESA-N 1 0 372.513 2.151 20 10 FECDRO C[NH2+]CCC1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000271262459 550358786 /nfs/dbraw/zinc/35/87/86/550358786.db2.gz MTCXSSGKBLEUIW-QPJJXVBHSA-N 1 0 357.498 2.385 20 10 FECDRO CC(C)N1CC[NH+](C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000272710802 550466298 /nfs/dbraw/zinc/46/62/98/550466298.db2.gz XTQKXEPNGWPZHC-GQCTYLIASA-N 1 0 373.497 2.128 20 10 FECDRO C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272974705 550479153 /nfs/dbraw/zinc/47/91/53/550479153.db2.gz OSDFFBPLYOKSGQ-KRWDZBQOSA-N 1 0 372.513 2.315 20 10 FECDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c(O)c1C ZINC000273501046 550500708 /nfs/dbraw/zinc/50/07/08/550500708.db2.gz QEHLTPVEPJORQY-HZPDHXFCSA-N 1 0 370.515 2.148 20 10 FECDRO O=S(=O)(C1CC[NH+](Cc2c(O)cccc2Cl)CC1)N1CCCC1 ZINC000282762705 551267614 /nfs/dbraw/zinc/26/76/14/551267614.db2.gz OYFXRYDPPZBICB-UHFFFAOYSA-N 1 0 358.891 2.436 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000284899952 551662340 /nfs/dbraw/zinc/66/23/40/551662340.db2.gz CELCKVJMGMZETM-MRXNPFEDSA-N 1 0 373.497 2.121 20 10 FECDRO COc1ccc(N2CCN(C(=O)C3CCN(CC(F)F)CC3)CC2)cc1 ZINC000287243589 551980377 /nfs/dbraw/zinc/98/03/77/551980377.db2.gz JIXINOWNAQEZBD-UHFFFAOYSA-N 1 0 367.440 2.321 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2F)C[C@H](C)O1 ZINC000294130764 552884502 /nfs/dbraw/zinc/88/45/02/552884502.db2.gz PTUPUXRWDNKGKP-YALNPMBYSA-N 1 0 363.477 2.431 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSC3CC3)cc2F)CC1 ZINC000294771242 552933197 /nfs/dbraw/zinc/93/31/97/552933197.db2.gz ZDFVOQBMDUWNSJ-UHFFFAOYSA-N 1 0 351.491 2.479 20 10 FECDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1F ZINC000295123992 552961043 /nfs/dbraw/zinc/96/10/43/552961043.db2.gz NRUJYRIFSUKXMI-CQSZACIVSA-N 1 0 355.454 2.209 20 10 FECDRO C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295286955 552981948 /nfs/dbraw/zinc/98/19/48/552981948.db2.gz IWMWNCSTVMEMEW-UHFFFAOYSA-N 1 0 357.857 2.075 20 10 FECDRO C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000296610303 553187346 /nfs/dbraw/zinc/18/73/46/553187346.db2.gz WGMXZELKTSSJHV-KBXCAEBGSA-N 1 0 370.490 2.016 20 10 FECDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c(F)ccc(O)c1O ZINC000296623467 553189326 /nfs/dbraw/zinc/18/93/26/553189326.db2.gz HGFSVJBDTRRYON-HNNXBMFYSA-N 1 0 374.412 2.258 20 10 FECDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1 ZINC000296637540 553191637 /nfs/dbraw/zinc/19/16/37/553191637.db2.gz CFIOIGULJAEHPI-HNNXBMFYSA-N 1 0 358.467 2.104 20 10 FECDRO CNC(=O)CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364172414 555262977 /nfs/dbraw/zinc/26/29/77/555262977.db2.gz QKRJFKIRHLWZEP-HNNXBMFYSA-N 1 0 367.877 2.043 20 10 FECDRO Cc1nccc(CN2CCC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2=O)n1 ZINC000369892879 556723068 /nfs/dbraw/zinc/72/30/68/556723068.db2.gz MYLOEXBQXRTGSS-YVEFUNNKSA-N 1 0 358.417 2.472 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370787879 556968473 /nfs/dbraw/zinc/96/84/73/556968473.db2.gz PAQLPHZARBIYFM-FPYGCLRLSA-N 1 0 355.482 2.279 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)cc1OC ZINC000371396652 557173318 /nfs/dbraw/zinc/17/33/18/557173318.db2.gz SIFXCIAZFORUQM-UHFFFAOYSA-N 1 0 372.425 2.050 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373254662 557659274 /nfs/dbraw/zinc/65/92/74/557659274.db2.gz FXYMPQJWBMJFFR-ZIAGYGMSSA-N 1 0 355.438 2.429 20 10 FECDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000373587387 557724266 /nfs/dbraw/zinc/72/42/66/557724266.db2.gz WUECLYWNKRUJDK-MOPGFXCFSA-N 1 0 362.470 2.066 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c(O)c1 ZINC000375200689 557991304 /nfs/dbraw/zinc/99/13/04/557991304.db2.gz IOWHBFWRDZTRKP-CQSZACIVSA-N 1 0 360.414 2.006 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375304646 558006499 /nfs/dbraw/zinc/00/64/99/558006499.db2.gz UKCYEVQAZJRSDU-ZLXGRDSLSA-N 1 0 361.461 2.370 20 10 FECDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000375751713 558076848 /nfs/dbraw/zinc/07/68/48/558076848.db2.gz VTPTXHHMQZJRRS-LJQANCHMSA-N 1 0 372.513 2.293 20 10 FECDRO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@H]2N1 ZINC000377228055 558294048 /nfs/dbraw/zinc/29/40/48/558294048.db2.gz YYVGLCLXIFGVLP-UYAOXDASSA-N 1 0 368.433 2.061 20 10 FECDRO C[C@H]1CN(C(=O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)C[C@H](C)O1 ZINC000378498450 558570242 /nfs/dbraw/zinc/57/02/42/558570242.db2.gz SCQBOWCITYTCBF-KBPBESRZSA-N 1 0 350.434 2.379 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000422386139 559583995 /nfs/dbraw/zinc/58/39/95/559583995.db2.gz SICDTPKNVGZSFZ-MRXNPFEDSA-N 1 0 370.497 2.044 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000444249520 560106867 /nfs/dbraw/zinc/10/68/67/560106867.db2.gz XBWOFBMDDLUEAY-OAHLLOKOSA-N 1 0 370.497 2.001 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000472222254 561021344 /nfs/dbraw/zinc/02/13/44/561021344.db2.gz LGNDVBRMZVUJHZ-INIZCTEOSA-N 1 0 358.486 2.133 20 10 FECDRO COc1cc(OC)c2c(c1)N(C(=O)c1cnn3c1[C@@H](C[NH3+])CCC3)CCC2 ZINC000602540158 567992894 /nfs/dbraw/zinc/99/28/94/567992894.db2.gz WRIOQMJURZJLGL-CYBMUJFWSA-N 1 0 370.453 2.329 20 10 FECDRO CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCN3C(=O)[O-])cc2F)CC1 ZINC000739457901 602686298 /nfs/dbraw/zinc/68/62/98/602686298.db2.gz VDGMYGCAGCTJMO-INIZCTEOSA-N 1 0 364.465 2.200 20 10 FECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1F ZINC000809783934 674509895 /nfs/dbraw/zinc/50/98/95/674509895.db2.gz GFUJOGZRZLAWKV-HNNXBMFYSA-N 1 0 369.506 2.186 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1 ZINC000809971582 674522849 /nfs/dbraw/zinc/52/28/49/674522849.db2.gz HWIUNCXLCZUQHS-SGTLLEGYSA-N 1 0 354.447 2.327 20 10 FECDRO CC[N@H+](CC(=O)NC1CCOCC1)Cc1cc(Br)ccc1O ZINC000076118577 670542025 /nfs/dbraw/zinc/54/20/25/670542025.db2.gz OAZZDSZWHNBJGQ-UHFFFAOYSA-N 1 0 371.275 2.272 20 10 FECDRO CC[C@@H](C)C[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000111254179 670856249 /nfs/dbraw/zinc/85/62/49/670856249.db2.gz SKPIGTIZJBGCHS-OAHLLOKOSA-N 1 0 351.466 2.256 20 10 FECDRO O=C(NCCCSc1nccs1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817940366 675187332 /nfs/dbraw/zinc/18/73/32/675187332.db2.gz GSTWTSLMZNBMTI-CYBMUJFWSA-N 1 0 351.501 2.176 20 10 FECDRO CSCCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000125670313 672015362 /nfs/dbraw/zinc/01/53/62/672015362.db2.gz ZNYPZHGXQTVGNG-UHFFFAOYSA-N 1 0 362.543 2.381 20 10 FECDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130038790 672069843 /nfs/dbraw/zinc/06/98/43/672069843.db2.gz BJGDAXCCKGJWLU-PBHICJAKSA-N 1 0 352.450 2.100 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3CSC)CC2)cc1 ZINC000135425520 672133284 /nfs/dbraw/zinc/13/32/84/672133284.db2.gz LVCRIHXPTKVTPM-KRWDZBQOSA-N 1 0 363.527 2.171 20 10 FECDRO CCS(=O)(=O)NCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000151676977 672167619 /nfs/dbraw/zinc/16/76/19/672167619.db2.gz CCJUNFFGBHREPB-UHFFFAOYSA-N 1 0 352.456 2.317 20 10 FECDRO CCOc1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000731450477 673330656 /nfs/dbraw/zinc/33/06/56/673330656.db2.gz XUVDNEAAAHLDMJ-UHFFFAOYSA-N 1 0 364.467 2.000 20 10 FECDRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000733322615 673409526 /nfs/dbraw/zinc/40/95/26/673409526.db2.gz QEDFGCMVHYFATK-UHFFFAOYSA-N 1 0 351.834 2.390 20 10 FECDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000818984997 675249775 /nfs/dbraw/zinc/24/97/75/675249775.db2.gz KLGOAVIQBWFNDS-UHFFFAOYSA-N 1 0 352.450 2.466 20 10 FECDRO CCC[C@@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000823161565 675533265 /nfs/dbraw/zinc/53/32/65/675533265.db2.gz HFVOLWMBPRHSSY-GOSISDBHSA-N 1 0 351.466 2.399 20 10 FECDRO Cc1cc(Br)cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1O ZINC000827700641 675773610 /nfs/dbraw/zinc/77/36/10/675773610.db2.gz WCQCYTRFEWFWOY-INIZCTEOSA-N 1 0 369.303 2.494 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)ccc1N1CCCCC1 ZINC000828300758 675811702 /nfs/dbraw/zinc/81/17/02/675811702.db2.gz QQOPJVDGXOOBAK-KRWDZBQOSA-N 1 0 351.516 2.238 20 10 FECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000830544624 677046299 /nfs/dbraw/zinc/04/62/99/677046299.db2.gz SAABHVDTGMFKHZ-LJIGWXMPSA-N 1 0 350.846 2.019 20 10 FECDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830663631 677053181 /nfs/dbraw/zinc/05/31/81/677053181.db2.gz AMTAGHYXUPVFEP-ZENOOKHLSA-N 1 0 353.413 2.371 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000764783746 680821157 /nfs/dbraw/zinc/82/11/57/680821157.db2.gz LYCWJVCIDZXZAN-CYBMUJFWSA-N 1 0 368.275 2.438 20 10 FECDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C1=CC(=O)CS1 ZINC000765223122 680836027 /nfs/dbraw/zinc/83/60/27/680836027.db2.gz UPFZUSKRCKUACI-ZDUSSCGKSA-N 1 0 354.472 2.333 20 10 FECDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000840891440 680849910 /nfs/dbraw/zinc/84/99/10/680849910.db2.gz SXHSKVSKCUBEIH-CQSZACIVSA-N 1 0 358.479 2.138 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1O ZINC000840957526 680856956 /nfs/dbraw/zinc/85/69/56/680856956.db2.gz IZUSYSDWPITOSR-JTQLQIEISA-N 1 0 357.248 2.073 20 10 FECDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(Cl)c1 ZINC000840948060 680855934 /nfs/dbraw/zinc/85/59/34/680855934.db2.gz KSOPQMGNXWTTNS-ZDUSSCGKSA-N 1 0 360.907 2.457 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918946 680859431 /nfs/dbraw/zinc/85/94/31/680859431.db2.gz YOZPGLHAQRXTBU-RDJZCZTQSA-N 1 0 366.937 2.073 20 10 FECDRO [NH3+]CCN(CCO)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841059466 680861320 /nfs/dbraw/zinc/86/13/20/680861320.db2.gz ROKAZWOCJCCQSS-UHFFFAOYSA-N 1 0 356.308 2.192 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN(C)c2ccc(Cl)cn2)cc1 ZINC000832300192 680121406 /nfs/dbraw/zinc/12/14/06/680121406.db2.gz OGFQWGRFZSJCHS-INIZCTEOSA-N 1 0 361.877 2.053 20 10 FECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000835025423 680286864 /nfs/dbraw/zinc/28/68/64/680286864.db2.gz UOQUFSVORIPAHE-YXMMZVCTSA-N 1 0 351.516 2.027 20 10 FECDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000754725829 680373546 /nfs/dbraw/zinc/37/35/46/680373546.db2.gz BBFREFOQOPOCSJ-HNNXBMFYSA-N 1 0 370.515 2.212 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@H](O)CSC[C@H]3CCCO3)CC2)cc1 ZINC000754862277 680385068 /nfs/dbraw/zinc/38/50/68/680385068.db2.gz LMPQMHOWWNSNOS-PKOBYXMFSA-N 1 0 366.527 2.090 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@H](O)CSc3ccccn3)CC2)cc1 ZINC000758209145 680562472 /nfs/dbraw/zinc/56/24/72/680562472.db2.gz ZHJXOANJLGPZCJ-KRWDZBQOSA-N 1 0 359.495 2.365 20 10 FECDRO [NH3+]CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(F)F ZINC000841707331 680908248 /nfs/dbraw/zinc/90/82/48/680908248.db2.gz QRGHEIMCOZYYNW-CQSZACIVSA-N 1 0 358.458 2.022 20 10 FECDRO [NH3+]CC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(F)F ZINC000841707330 680908331 /nfs/dbraw/zinc/90/83/31/680908331.db2.gz QRGHEIMCOZYYNW-AWEZNQCLSA-N 1 0 358.458 2.022 20 10 FECDRO CC[NH2+]CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841779905 680911773 /nfs/dbraw/zinc/91/17/73/680911773.db2.gz CWRQQDGQXIGVPT-UHFFFAOYSA-N 1 0 356.417 2.166 20 10 FECDRO CC[NH2+]CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843380 680914342 /nfs/dbraw/zinc/91/43/42/680914342.db2.gz GGKDMYGRTNPHTJ-CYBMUJFWSA-N 1 0 356.417 2.166 20 10 FECDRO C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843891 680914510 /nfs/dbraw/zinc/91/45/10/680914510.db2.gz ODQQNYJNTVDUKZ-STQMWFEESA-N 1 0 356.417 2.245 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000842785101 680966323 /nfs/dbraw/zinc/96/63/23/680966323.db2.gz OTOMEPABNHMVBH-AWEZNQCLSA-N 1 0 355.410 2.009 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058794 680985037 /nfs/dbraw/zinc/98/50/37/680985037.db2.gz YJUVUDDPEKTRSV-WMLDXEAASA-N 1 0 365.905 2.434 20 10 FECDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844864473 681088662 /nfs/dbraw/zinc/08/86/62/681088662.db2.gz ZNKNQKXKTSSQTG-OAHLLOKOSA-N 1 0 355.866 2.202 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000846171131 681193607 /nfs/dbraw/zinc/19/36/07/681193607.db2.gz DGKGTOJAAJPNSJ-CHWSQXEVSA-N 1 0 363.435 2.286 20 10 FECDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000846313721 681224300 /nfs/dbraw/zinc/22/43/00/681224300.db2.gz NPXBGRCTFILZRN-AWEZNQCLSA-N 1 0 362.396 2.053 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000775370339 681301797 /nfs/dbraw/zinc/30/17/97/681301797.db2.gz UQNIIFKGFBVMOX-XIKOKIGWSA-N 1 0 365.451 2.189 20 10 FECDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1(C)C ZINC000776158755 681368646 /nfs/dbraw/zinc/36/86/46/681368646.db2.gz VMLXGHSGCZLWCM-ROUUACIJSA-N 1 0 366.527 2.215 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2nc(C)n[nH]2)c1O ZINC000848543476 681574686 /nfs/dbraw/zinc/57/46/86/681574686.db2.gz FNOJIFXYELJZDL-QMMMGPOBSA-N 1 0 355.236 2.483 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000848548917 681575693 /nfs/dbraw/zinc/57/56/93/681575693.db2.gz MCZHKJIETGHDQJ-RKDXNWHRSA-N 1 0 363.227 2.288 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[NH2+]C(C)(C)CSC)CC2)cc1 ZINC000934678364 681611512 /nfs/dbraw/zinc/61/15/12/681611512.db2.gz VPPZOWFQCQUMEJ-UHFFFAOYSA-N 1 0 351.516 2.075 20 10 FECDRO CCCCCC[C@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000849327166 681686675 /nfs/dbraw/zinc/68/66/75/681686675.db2.gz PIURQQLSWVELEO-IBGZPJMESA-N 1 0 368.543 2.342 20 10 FECDRO O=[S@](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000850348999 681888981 /nfs/dbraw/zinc/88/89/81/681888981.db2.gz XJAJDYKJUFCEMP-XMMPIXPASA-N 1 0 368.396 2.063 20 10 FECDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000850355742 681890079 /nfs/dbraw/zinc/89/00/79/681890079.db2.gz JOTQCGRKZVUZRI-IEBWSBKVSA-N 1 0 366.527 2.215 20 10 FECDRO CCc1cnc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000850355490 681890544 /nfs/dbraw/zinc/89/05/44/681890544.db2.gz FUAZVKWZYOLRLB-UHFFFAOYSA-N 1 0 365.524 2.230 20 10 FECDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000850484867 681906726 /nfs/dbraw/zinc/90/67/26/681906726.db2.gz SIYDKEINYFHQMI-ZSZQSSIHSA-N 1 0 352.450 2.364 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)C2)cc1 ZINC000850489467 681907172 /nfs/dbraw/zinc/90/71/72/681907172.db2.gz UTSGJDGFYISUQZ-JCGIZDLHSA-N 1 0 352.500 2.219 20 10 FECDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000782776317 682081844 /nfs/dbraw/zinc/08/18/44/682081844.db2.gz BDYKFOLRBGCDFW-KSSFIOAISA-N 1 0 352.450 2.100 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1O ZINC000852284074 682254392 /nfs/dbraw/zinc/25/43/92/682254392.db2.gz GTNSHOGJPAIEIC-GOSISDBHSA-N 1 0 351.418 2.391 20 10 FECDRO COc1cc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c(O)cc1C ZINC000853530306 682428501 /nfs/dbraw/zinc/42/85/01/682428501.db2.gz HBRLVHCFUIRWLZ-FZMZJTMJSA-N 1 0 367.389 2.117 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1 ZINC000794462520 682971123 /nfs/dbraw/zinc/97/11/23/682971123.db2.gz REAVNLRLYQUVLK-CHWSQXEVSA-N 1 0 354.447 2.327 20 10 FECDRO C[NH+]1CCC(NC(=S)NCc2cc(Br)ccc2O)CC1 ZINC000795156523 683024659 /nfs/dbraw/zinc/02/46/59/683024659.db2.gz VNULBXJXFHQKPI-UHFFFAOYSA-N 1 0 358.305 2.213 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)c1O ZINC000926975903 683192681 /nfs/dbraw/zinc/19/26/81/683192681.db2.gz BHFFHSOUICCZDV-UWVGGRQHSA-N 1 0 357.248 2.340 20 10 FECDRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000927026843 683199082 /nfs/dbraw/zinc/19/90/82/683199082.db2.gz RCPHOYCZRARBDL-AEFFLSMTSA-N 1 0 363.479 2.061 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861560052 683435211 /nfs/dbraw/zinc/43/52/11/683435211.db2.gz YFRKLWXRRUFRGK-QGZVFWFLSA-N 1 0 360.527 2.324 20 10 FECDRO Oc1cccc(Br)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000862250996 683559245 /nfs/dbraw/zinc/55/92/45/683559245.db2.gz XUPRSAZVVPBEFO-ZDUSSCGKSA-N 1 0 355.276 2.309 20 10 FECDRO C[N@H+](CC[S@@](=O)C(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000929184277 683559380 /nfs/dbraw/zinc/55/93/80/683559380.db2.gz DDSSNANCTZVNKS-HSZRJFAPSA-N 1 0 350.406 2.224 20 10 FECDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862349849 683575278 /nfs/dbraw/zinc/57/52/78/683575278.db2.gz UGZVQDXCUGGGMY-OLZOCXBDSA-N 1 0 374.275 2.001 20 10 FECDRO Cc1nnc([C@H]2OCC[C@H]2C[NH2+]Cc2cc(F)c(N(C)C)cc2F)[nH]1 ZINC000922408527 683716951 /nfs/dbraw/zinc/71/69/51/683716951.db2.gz VXWKDIWCAPHANQ-ZBEGNZNMSA-N 1 0 351.401 2.325 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC3CSC3)CC2)cc1 ZINC000864617905 683873791 /nfs/dbraw/zinc/87/37/91/683873791.db2.gz TZTWXJHZKGLNCB-UHFFFAOYSA-N 1 0 363.527 2.077 20 10 FECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1O ZINC000866492189 684110935 /nfs/dbraw/zinc/11/09/35/684110935.db2.gz KWMJHPZFODAOCJ-APHBMKBZSA-N 1 0 368.499 2.444 20 10 FECDRO CC1CCN(c2ccc(CNS(=O)(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000923609068 684314659 /nfs/dbraw/zinc/31/46/59/684314659.db2.gz USZLRYYQMOULKK-GOSISDBHSA-N 1 0 351.516 2.094 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000924862012 684499517 /nfs/dbraw/zinc/49/95/17/684499517.db2.gz OEIFOCMQCTYHEN-ZDUSSCGKSA-N 1 0 357.495 2.041 20 10 FECDRO Cc1csc2nc(CC(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cn12 ZINC000870932504 684772973 /nfs/dbraw/zinc/77/29/73/684772973.db2.gz GSCDOEZHYBDKTH-MRXNPFEDSA-N 1 0 357.483 2.129 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000876698274 686246556 /nfs/dbraw/zinc/24/65/56/686246556.db2.gz GYTAGLUTQONGFC-BBRMVZONSA-N 1 0 371.275 2.270 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000876698275 686246687 /nfs/dbraw/zinc/24/66/87/686246687.db2.gz GYTAGLUTQONGFC-CJNGLKHVSA-N 1 0 371.275 2.270 20 10 FECDRO O=C1C[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCN1 ZINC000877033893 686315345 /nfs/dbraw/zinc/31/53/45/686315345.db2.gz QWRFWEPVQFDTHV-HOTGVXAUSA-N 1 0 351.878 2.268 20 10 FECDRO Cc1cccc(O)c1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877108982 686326316 /nfs/dbraw/zinc/32/63/16/686326316.db2.gz WSHDRTQYSXZYSI-UHFFFAOYSA-N 1 0 352.378 2.104 20 10 FECDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C(F)(F)F ZINC000877693477 686437798 /nfs/dbraw/zinc/43/77/98/686437798.db2.gz HRIFBSZXNHGNIS-WMLDXEAASA-N 1 0 358.404 2.250 20 10 FECDRO COc1cc(N2CC[NH+](CC[C@H](O)C(C)C)CC2)cc(OC)c1OC ZINC000878430887 686583703 /nfs/dbraw/zinc/58/37/03/686583703.db2.gz VWGWCIKXYLTJOI-INIZCTEOSA-N 1 0 352.475 2.241 20 10 FECDRO CN(C)Cc1cnc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883283866 687598778 /nfs/dbraw/zinc/59/87/78/687598778.db2.gz WJRBQMJKOCZQTD-UHFFFAOYSA-N 1 0 359.543 2.246 20 10 FECDRO C[C@@H]1CSCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889665248 688804261 /nfs/dbraw/zinc/80/42/61/688804261.db2.gz JUYRDBJBPFTECQ-INIZCTEOSA-N 1 0 362.543 2.333 20 10 FECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(OC)c(OC)c1O)CC2 ZINC000892102204 689150500 /nfs/dbraw/zinc/15/05/00/689150500.db2.gz QIEPYFYXWLHROA-CVEARBPZSA-N 1 0 351.443 2.161 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)NCCc2cscn2)[NH+](C)C)cc1 ZINC000893748337 689397908 /nfs/dbraw/zinc/39/79/08/689397908.db2.gz BXULSLXKVMHKKE-KRWDZBQOSA-N 1 0 361.515 2.354 20 10 FECDRO COc1cc(C)cc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1O ZINC000894161764 689477388 /nfs/dbraw/zinc/47/73/88/689477388.db2.gz WDKDFZFNJDWBSV-UHFFFAOYSA-N 1 0 350.440 2.371 20 10 FECDRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc(N3CCSCC3)cc2)C1(F)F ZINC000894191963 689483617 /nfs/dbraw/zinc/48/36/17/689483617.db2.gz SYKIMPYQHOJNCO-HUUCEWRRSA-N 1 0 356.438 2.384 20 10 FECDRO COC(=O)[C@@H]1[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F ZINC000894208781 689486905 /nfs/dbraw/zinc/48/69/05/689486905.db2.gz LNSJKAUMTBNFKD-KCXAZCMYSA-N 1 0 354.397 2.228 20 10 FECDRO COC(=O)[C@H]1[C@@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1(F)F ZINC000894216918 689488163 /nfs/dbraw/zinc/48/81/63/689488163.db2.gz WQCVUTOJYPIAGG-HZPDHXFCSA-N 1 0 354.397 2.308 20 10 FECDRO Cc1nnsc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895022415 689642308 /nfs/dbraw/zinc/64/23/08/689642308.db2.gz LUDLGNINCQWFSC-OAHLLOKOSA-N 1 0 362.503 2.015 20 10 FECDRO COc1ccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c(O)c1OC ZINC000896248832 689842888 /nfs/dbraw/zinc/84/28/88/689842888.db2.gz HDAQDWXUCQDAHF-UHFFFAOYSA-N 1 0 357.472 2.102 20 10 FECDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896938575 689952695 /nfs/dbraw/zinc/95/26/95/689952695.db2.gz CGBZZPLZDPFZQR-LBPRGKRZSA-N 1 0 352.456 2.399 20 10 FECDRO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)s1 ZINC000896969553 689956294 /nfs/dbraw/zinc/95/62/94/689956294.db2.gz ODGBAYURMMFCDY-SNVBAGLBSA-N 1 0 362.407 2.354 20 10 FECDRO CN(C)c1ccc([C@H](CNc2nccn(C(F)F)c2=O)[NH+](C)C)cc1 ZINC000897520972 690033627 /nfs/dbraw/zinc/03/36/27/690033627.db2.gz BTDSKLWYACKZJX-AWEZNQCLSA-N 1 0 351.401 2.419 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3CSC[C@@H]3C2)[NH+](C)C)cc1 ZINC000899099361 690303925 /nfs/dbraw/zinc/30/39/25/690303925.db2.gz ZQBZLZKTUQYDID-JZXOWHBKSA-N 1 0 362.543 2.360 20 10 FECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1O ZINC000903435830 690893760 /nfs/dbraw/zinc/89/37/60/690893760.db2.gz SLKZWPTYOFPWOT-MNOVXSKESA-N 1 0 364.833 2.479 20 10 FECDRO [NH3+]C1CC([NH2+]Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000906510167 691278091 /nfs/dbraw/zinc/27/80/91/691278091.db2.gz PCKZQFFFNQQCOP-UHFFFAOYSA-N 1 0 350.054 2.497 20 10 FECDRO CCC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051686466 540441302 /nfs/dbraw/zinc/44/13/02/540441302.db2.gz PDJWWXXYCIXYGS-HNNXBMFYSA-N 1 0 351.466 2.399 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051951889 540448369 /nfs/dbraw/zinc/44/83/69/540448369.db2.gz GEDFMGBMCHMVSY-UHFFFAOYSA-N 1 0 358.530 2.271 20 10 FECDRO CC[NH+](CC)CCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000057465198 540798801 /nfs/dbraw/zinc/79/88/01/540798801.db2.gz YVQZJHBMILHZKJ-UHFFFAOYSA-N 1 0 366.481 2.193 20 10 FECDRO COc1ccc(-n2c(C)cc(C(=O)NCC3(O)CC[NH+](C)CC3)c2C)cc1 ZINC000080882323 542611575 /nfs/dbraw/zinc/61/15/75/542611575.db2.gz FFDQRZISACLFHV-UHFFFAOYSA-N 1 0 371.481 2.289 20 10 FECDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000113229712 543478330 /nfs/dbraw/zinc/47/83/30/543478330.db2.gz VADBEIADBONWNZ-JWLNDWNSSA-N 1 0 355.482 2.232 20 10 FECDRO CCCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c(O)c1 ZINC000122198863 543704690 /nfs/dbraw/zinc/70/46/90/543704690.db2.gz TWDJMSDVNPQGMS-UHFFFAOYSA-N 1 0 370.496 2.311 20 10 FECDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000157105061 545700510 /nfs/dbraw/zinc/70/05/10/545700510.db2.gz SYFRBVSCXOUCRD-HHGHRULOSA-N 1 0 369.509 2.479 20 10 FECDRO CCOc1cccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1O ZINC000158270780 545842394 /nfs/dbraw/zinc/84/23/94/545842394.db2.gz PFMVTSRFXWPDBM-UHFFFAOYSA-N 1 0 370.496 2.263 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cscn3)CC2)cc1 ZINC000171271780 546201059 /nfs/dbraw/zinc/20/10/59/546201059.db2.gz RIXVNNRTVGYAFY-UHFFFAOYSA-N 1 0 360.483 2.094 20 10 FECDRO C[NH+](C)CCN1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000173744269 546286253 /nfs/dbraw/zinc/28/62/53/546286253.db2.gz XHNWUQHPYPSEHL-UHFFFAOYSA-N 1 0 374.529 2.096 20 10 FECDRO C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000177071094 546539586 /nfs/dbraw/zinc/53/95/86/546539586.db2.gz XZFZZLIGSSMNID-MPAJKEDASA-N 1 0 355.482 2.278 20 10 FECDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)[C@H](C)C1 ZINC000179502154 546967372 /nfs/dbraw/zinc/96/73/72/546967372.db2.gz IAKXLEZDMKQBFD-ZBFHGGJFSA-N 1 0 350.459 2.273 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182304729 547470931 /nfs/dbraw/zinc/47/09/31/547470931.db2.gz YERGCLSGRCSGPC-QGZVFWFLSA-N 1 0 368.499 2.227 20 10 FECDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000184995310 547914432 /nfs/dbraw/zinc/91/44/32/547914432.db2.gz BXRHNJFVJUIVHR-LLVKDONJSA-N 1 0 370.291 2.016 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1 ZINC000186141872 548090570 /nfs/dbraw/zinc/09/05/70/548090570.db2.gz OZQFNNZCPDPCEH-LBPRGKRZSA-N 1 0 370.496 2.400 20 10 FECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000186158633 548092651 /nfs/dbraw/zinc/09/26/51/548092651.db2.gz ZULCQQFUVNGTKC-CHWSQXEVSA-N 1 0 355.481 2.248 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529356033 562370667 /nfs/dbraw/zinc/37/06/67/562370667.db2.gz YSKAAZLUCZVCID-LBPRGKRZSA-N 1 0 354.248 2.239 20 10 FECDRO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237330323 548818396 /nfs/dbraw/zinc/81/83/96/548818396.db2.gz TZSDRMWPNFNORZ-WFASDCNBSA-N 1 0 373.469 2.453 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)COc3cccnc3)cc2F)CC1 ZINC000264370401 549995506 /nfs/dbraw/zinc/99/55/06/549995506.db2.gz ACILNVBPTNTWQM-UHFFFAOYSA-N 1 0 372.444 2.058 20 10 FECDRO Cc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000264443536 549995803 /nfs/dbraw/zinc/99/58/03/549995803.db2.gz OMYZTLACPAEXHM-INIZCTEOSA-N 1 0 354.498 2.460 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000269440366 550196258 /nfs/dbraw/zinc/19/62/58/550196258.db2.gz FKTVONJEEBGIBL-KRWDZBQOSA-N 1 0 353.532 2.294 20 10 FECDRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000269865623 550231966 /nfs/dbraw/zinc/23/19/66/550231966.db2.gz KMLRCCCPMDBBMI-OAHLLOKOSA-N 1 0 360.479 2.430 20 10 FECDRO C[NH+]1CCC(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000273300126 550493837 /nfs/dbraw/zinc/49/38/37/550493837.db2.gz ZOUUABYYEKFJCT-UHFFFAOYSA-N 1 0 359.514 2.243 20 10 FECDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623170 550505987 /nfs/dbraw/zinc/50/59/87/550505987.db2.gz ZSTPJJILSCSZLC-FZMZJTMJSA-N 1 0 370.291 2.145 20 10 FECDRO COc1cc(N2CC[NH+](CCn3nc(C)cc3C)CC2)cc(OC)c1OC ZINC000273671545 550507468 /nfs/dbraw/zinc/50/74/68/550507468.db2.gz ZHMTZNWLAQINJL-UHFFFAOYSA-N 1 0 374.485 2.348 20 10 FECDRO C[C@@]([NH3+])(C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000278336686 550774665 /nfs/dbraw/zinc/77/46/65/550774665.db2.gz WZXHZEWWCOQSRJ-QFIPXVFZSA-N 1 0 367.493 2.386 20 10 FECDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cccc(OCC)c3O)CC2)n1 ZINC000278791775 550822518 /nfs/dbraw/zinc/82/25/18/550822518.db2.gz WQCXGBNOYRWWOB-UHFFFAOYSA-N 1 0 374.441 2.465 20 10 FECDRO COc1c(O)c(C[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278884752 550832450 /nfs/dbraw/zinc/83/24/50/550832450.db2.gz OSSGQILRCKLLBA-OAHLLOKOSA-N 1 0 373.409 2.098 20 10 FECDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285512566 551767790 /nfs/dbraw/zinc/76/77/90/551767790.db2.gz JVBVTPASZKFJEH-YLJYHZDGSA-N 1 0 358.530 2.270 20 10 FECDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290247061 552447721 /nfs/dbraw/zinc/44/77/21/552447721.db2.gz VGVJDSQPENCAGY-GFCCVEGCSA-N 1 0 353.375 2.020 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000290663137 552515446 /nfs/dbraw/zinc/51/54/46/552515446.db2.gz FWGZXTJFIXVLRJ-GOSISDBHSA-N 1 0 373.497 2.264 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@](C)(OC)C3CC3)cc2F)CC1 ZINC000291695864 552651929 /nfs/dbraw/zinc/65/19/29/552651929.db2.gz NCLWVWPYNRNQPB-FQEVSTJZSA-N 1 0 363.477 2.399 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1OC ZINC000293579987 552837237 /nfs/dbraw/zinc/83/72/37/552837237.db2.gz HQTDPNDXPATCFI-KRWDZBQOSA-N 1 0 370.449 2.343 20 10 FECDRO O=C1COc2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2N1 ZINC000293792796 552856932 /nfs/dbraw/zinc/85/69/32/552856932.db2.gz BKYPYPSQZIQLBR-UHFFFAOYSA-N 1 0 353.422 2.144 20 10 FECDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC(=O)N1C ZINC000294650846 552923644 /nfs/dbraw/zinc/92/36/44/552923644.db2.gz KVEXMFPANLXIOY-CXAGYDPISA-N 1 0 366.824 2.370 20 10 FECDRO C[NH+](C)CCn1nccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000297459997 553295257 /nfs/dbraw/zinc/29/52/57/553295257.db2.gz QUAMISKQEYWLAX-UHFFFAOYSA-N 1 0 357.458 2.351 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O ZINC000361392591 554920938 /nfs/dbraw/zinc/92/09/38/554920938.db2.gz WWSRHSDOVGAFCZ-WQAKAFBOSA-N 1 0 369.259 2.262 20 10 FECDRO CN1CCc2cc(C[NH2+]C3CCC(N4CCCS4(=O)=O)CC3)ccc21 ZINC000361947093 554940334 /nfs/dbraw/zinc/94/03/34/554940334.db2.gz WATZWWVWSQTKQF-UHFFFAOYSA-N 1 0 363.527 2.115 20 10 FECDRO O=C(CSc1nccs1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000363215068 555055514 /nfs/dbraw/zinc/05/55/14/555055514.db2.gz LJTQQCDDHHDLBA-OAHLLOKOSA-N 1 0 363.508 2.252 20 10 FECDRO CCOCc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)ccc1OC ZINC000364656818 555364753 /nfs/dbraw/zinc/36/47/53/555364753.db2.gz HCPWQKRQJHRNSZ-XLIONFOSSA-N 1 0 372.469 2.075 20 10 FECDRO CN(C)c1ccc(CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000365146744 555494969 /nfs/dbraw/zinc/49/49/69/555494969.db2.gz OIQCGUVYWVDTGY-WOJBJXKFSA-N 1 0 372.513 2.290 20 10 FECDRO COC[C@@H](C)OC[C@@H](O)C[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000365739420 555656336 /nfs/dbraw/zinc/65/63/36/555656336.db2.gz VFXHSXLOTAQZEW-APWZRJJASA-N 1 0 366.502 2.008 20 10 FECDRO O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000366324257 555812310 /nfs/dbraw/zinc/81/23/10/555812310.db2.gz NTYZGYPHIQCHJL-IUODEOHRSA-N 1 0 357.376 2.280 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)c1 ZINC000367174865 556003157 /nfs/dbraw/zinc/00/31/57/556003157.db2.gz SZZISMATRVTYIP-UHFFFAOYSA-N 1 0 361.463 2.405 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1O ZINC000368590344 556355706 /nfs/dbraw/zinc/35/57/06/556355706.db2.gz KMVOTKWGCUMTMU-SFHVURJKSA-N 1 0 354.878 2.325 20 10 FECDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368981003 556466765 /nfs/dbraw/zinc/46/67/65/556466765.db2.gz NZMVBIGYKKUGPQ-WOJBJXKFSA-N 1 0 372.513 2.027 20 10 FECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)c1 ZINC000371224110 557111636 /nfs/dbraw/zinc/11/16/36/557111636.db2.gz VQZWKRWLBDWARO-OAHLLOKOSA-N 1 0 352.442 2.145 20 10 FECDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1F ZINC000371420100 557181793 /nfs/dbraw/zinc/18/17/93/557181793.db2.gz SVDFBCRCOCZXDV-UHFFFAOYSA-N 1 0 371.460 2.098 20 10 FECDRO CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC000372043103 557364932 /nfs/dbraw/zinc/36/49/32/557364932.db2.gz TWNULSLLHQQVQS-UHFFFAOYSA-N 1 0 367.449 2.367 20 10 FECDRO CCOC(=O)c1c[n-]n(C2CC[NH+](Cc3cc(OC)ccc3O)CC2)c1=N ZINC000375014002 557964210 /nfs/dbraw/zinc/96/42/10/557964210.db2.gz SFGCZIZIXPEIHS-UHFFFAOYSA-N 1 0 374.441 2.024 20 10 FECDRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000377201872 558287371 /nfs/dbraw/zinc/28/73/71/558287371.db2.gz QCOOOAHUVOIODT-QGZVFWFLSA-N 1 0 374.506 2.287 20 10 FECDRO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1O ZINC000377709678 558402474 /nfs/dbraw/zinc/40/24/74/558402474.db2.gz ZHDFBRDAIPIOTL-UHFFFAOYSA-N 1 0 362.455 2.493 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2ncccn2)c1 ZINC000377714416 558404001 /nfs/dbraw/zinc/40/40/01/558404001.db2.gz AKXHODAYWFAUAZ-ILXRZTDVSA-N 1 0 360.433 2.454 20 10 FECDRO COC(=O)c1ccnc(N2CCC[N@H+](Cc3cccc(OC)c3O)CC2)c1 ZINC000378352614 558536531 /nfs/dbraw/zinc/53/65/31/558536531.db2.gz YPMZDUJRIGJLRT-UHFFFAOYSA-N 1 0 371.437 2.295 20 10 FECDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000378442626 558558591 /nfs/dbraw/zinc/55/85/91/558558591.db2.gz KSGQCWSEUZLRFO-GJZGRUSLSA-N 1 0 362.470 2.249 20 10 FECDRO Cn1cc([C@H]2[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)CCC[N@@H+]2C)cn1 ZINC000378537492 558577925 /nfs/dbraw/zinc/57/79/25/558577925.db2.gz FAJKQWDKCWXNPJ-ZPJQXBLHSA-N 1 0 370.453 2.044 20 10 FECDRO COc1ccc(CN2CC[C@H]2CNC(=O)NCc2ccccc2O)cc1 ZINC000528178769 562317765 /nfs/dbraw/zinc/31/77/65/562317765.db2.gz LGPXWTNYMSHBFK-KRWDZBQOSA-N 1 0 355.438 2.475 20 10 FECDRO COc1cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(O)cc1C ZINC000808227137 674447647 /nfs/dbraw/zinc/44/76/47/674447647.db2.gz UHOVGUKBOACHJJ-CQSZACIVSA-N 1 0 368.499 2.003 20 10 FECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1F ZINC000809783937 674509955 /nfs/dbraw/zinc/50/99/55/674509955.db2.gz GFUJOGZRZLAWKV-OAHLLOKOSA-N 1 0 369.506 2.186 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1-c1nn[nH]n1 ZINC000821610889 607113023 /nfs/dbraw/zinc/11/30/23/607113023.db2.gz JFLANGPAZSNCIM-UHFFFAOYSA-N 1 0 364.453 2.335 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCS[C@@H](C)[C@H]3C)CC2)cc1 ZINC000112643884 670874712 /nfs/dbraw/zinc/87/47/12/670874712.db2.gz QSCQTUCPGOTZEF-CVEARBPZSA-N 1 0 363.527 2.170 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1F ZINC000122281184 671964908 /nfs/dbraw/zinc/96/49/08/671964908.db2.gz WPFBKEWXRADZGL-UHFFFAOYSA-N 1 0 357.476 2.021 20 10 FECDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000127447123 672037289 /nfs/dbraw/zinc/03/72/89/672037289.db2.gz SXYQHJVHTYFFOY-KGLIPLIRSA-N 1 0 358.479 2.136 20 10 FECDRO C[NH+](C)CCn1cc(NC(=O)NCCCSc2nccs2)cn1 ZINC000154957707 672225336 /nfs/dbraw/zinc/22/53/36/672225336.db2.gz GSBVIZLHEVNPKF-UHFFFAOYSA-N 1 0 354.505 2.205 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1F ZINC000158358326 672268699 /nfs/dbraw/zinc/26/86/99/672268699.db2.gz DJMWDHBWYIQSHP-UHFFFAOYSA-N 1 0 371.503 2.364 20 10 FECDRO CCC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[N@@H+]1CCOC ZINC000160526181 672291827 /nfs/dbraw/zinc/29/18/27/672291827.db2.gz SEUCIHUAONJMCA-MRXNPFEDSA-N 1 0 352.475 2.342 20 10 FECDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCSc1nccs1 ZINC000189319591 672613588 /nfs/dbraw/zinc/61/35/88/672613588.db2.gz QFUMGEPVKGJBND-ZDUSSCGKSA-N 1 0 372.560 2.112 20 10 FECDRO CS(=O)(=O)CC1(CC[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706835597 673063379 /nfs/dbraw/zinc/06/33/79/673063379.db2.gz AHOXLNKBSVRUAJ-UHFFFAOYSA-N 1 0 362.289 2.459 20 10 FECDRO C[C@]1(c2ccc(C[NH2+]Cc3c(O)cccc3Cl)cc2)NC(=O)NC1=O ZINC000733327111 673410002 /nfs/dbraw/zinc/41/00/02/673410002.db2.gz KKKGTEDGXWWOHY-GOSISDBHSA-N 1 0 359.813 2.390 20 10 FECDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000733328853 673410015 /nfs/dbraw/zinc/41/00/15/673410015.db2.gz FOENTNKGJGSPDS-ZDUSSCGKSA-N 1 0 355.460 2.108 20 10 FECDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742803986 673738461 /nfs/dbraw/zinc/73/84/61/673738461.db2.gz RUMLQPSLGYXNSJ-XJKSGUPXSA-N 1 0 353.413 2.467 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000819078800 675258798 /nfs/dbraw/zinc/25/87/98/675258798.db2.gz ZVGFWDJZVMZZCH-IBGZPJMESA-N 1 0 351.491 2.426 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1OC ZINC000824514780 675608019 /nfs/dbraw/zinc/60/80/19/675608019.db2.gz CIFXWGBGGBBKPV-CYBMUJFWSA-N 1 0 363.435 2.070 20 10 FECDRO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H](O)C1CCC1 ZINC000827311282 675747264 /nfs/dbraw/zinc/74/72/64/675747264.db2.gz XYJOOEGVKZQGKJ-DOTOQJQBSA-N 1 0 352.862 2.287 20 10 FECDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828461368 675821821 /nfs/dbraw/zinc/82/18/21/675821821.db2.gz UQZCPZUWFLNKDU-QGZVFWFLSA-N 1 0 351.516 2.109 20 10 FECDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@]1(F)CC[NH2+]C1 ZINC000830665220 677053375 /nfs/dbraw/zinc/05/33/75/677053375.db2.gz QZIISRFVHGKBJX-SJCJKPOMSA-N 1 0 357.376 2.075 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000761076993 680709887 /nfs/dbraw/zinc/70/98/87/680709887.db2.gz OOSCFPHACOLUCE-HUUCEWRRSA-N 1 0 363.845 2.437 20 10 FECDRO C[C@@]1(CNC(=O)NCc2cccc(Br)c2O)CCC[NH2+]C1 ZINC000841969523 680919463 /nfs/dbraw/zinc/91/94/63/680919463.db2.gz DUUQDSKSDAIJOI-OAHLLOKOSA-N 1 0 356.264 2.344 20 10 FECDRO CCOc1cccc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1O ZINC000839177211 680742998 /nfs/dbraw/zinc/74/29/98/680742998.db2.gz XUOVGZPPRHZMTB-INIZCTEOSA-N 1 0 351.443 2.296 20 10 FECDRO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000840106313 680798918 /nfs/dbraw/zinc/79/89/18/680798918.db2.gz TUQCNNZEZMXNPC-RUZDIDTESA-N 1 0 365.495 2.157 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000764750477 680820215 /nfs/dbraw/zinc/82/02/15/680820215.db2.gz KMASAEJJMKHWLC-UONOGXRCSA-N 1 0 372.918 2.262 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000840909123 680851947 /nfs/dbraw/zinc/85/19/47/680851947.db2.gz AHZYZXQZRNLSNN-CQSZACIVSA-N 1 0 352.862 2.425 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@](O)(c1nccn1C)C(F)(F)F ZINC000840936946 680854978 /nfs/dbraw/zinc/85/49/78/680854978.db2.gz OEHVDZVLQCUEKA-INIZCTEOSA-N 1 0 356.392 2.334 20 10 FECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000765794523 680855585 /nfs/dbraw/zinc/85/55/85/680855585.db2.gz CYSNMKKQWLNHPI-VXGBXAGGSA-N 1 0 357.248 2.168 20 10 FECDRO Cc1nn(C)c(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1Br ZINC000841041334 680860668 /nfs/dbraw/zinc/86/06/68/680860668.db2.gz FVWIJOJOYHORMJ-AWEZNQCLSA-N 1 0 366.307 2.347 20 10 FECDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000841042789 680860687 /nfs/dbraw/zinc/86/06/87/680860687.db2.gz ONEXMVMTXWOTAE-INIZCTEOSA-N 1 0 356.495 2.456 20 10 FECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071499 680861872 /nfs/dbraw/zinc/86/18/72/680861872.db2.gz YZHSKUMQPJDWFB-GFCCVEGCSA-N 1 0 355.763 2.110 20 10 FECDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000834906249 680281263 /nfs/dbraw/zinc/28/12/63/680281263.db2.gz YQFJJTOSUBXXLT-HNNXBMFYSA-N 1 0 367.921 2.284 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000835028454 680287212 /nfs/dbraw/zinc/28/72/12/680287212.db2.gz RDVMCEXYRGXIFY-WAYWQWQTSA-N 1 0 351.516 2.122 20 10 FECDRO CC[N@H+](CCNC(=O)NCc1cc(OC)ccc1O)CCC(F)(F)F ZINC000755727194 680431510 /nfs/dbraw/zinc/43/15/10/680431510.db2.gz VWQJEFPKRFIXEQ-UHFFFAOYSA-N 1 0 363.380 2.474 20 10 FECDRO C[NH2+]CCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841844203 680914492 /nfs/dbraw/zinc/91/44/92/680914492.db2.gz UOLFMBVULXOACV-CYBMUJFWSA-N 1 0 356.417 2.166 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841968794 680919445 /nfs/dbraw/zinc/91/94/45/680919445.db2.gz VIMZJCZRLWGWNC-CYBMUJFWSA-N 1 0 356.264 2.424 20 10 FECDRO O=S1(=O)C[C@H](C[NH2+]Cc2cc(Cl)ccc2O)Oc2ccccc21 ZINC000842722212 680962137 /nfs/dbraw/zinc/96/21/37/680962137.db2.gz OAPSPNFERFKMOT-ZDUSSCGKSA-N 1 0 353.827 2.370 20 10 FECDRO COc1ccc(C)cc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786408 680966524 /nfs/dbraw/zinc/96/65/24/680966524.db2.gz ZXCVTWISGMMTOZ-INIZCTEOSA-N 1 0 363.483 2.048 20 10 FECDRO Oc1ccc(Br)cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000769327004 680978490 /nfs/dbraw/zinc/97/84/90/680978490.db2.gz JMXYCFXCKNXKGG-HOCLYGCPSA-N 1 0 355.276 2.186 20 10 FECDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000769533371 680986174 /nfs/dbraw/zinc/98/61/74/680986174.db2.gz NOLSAZGXXAXDGU-GOSISDBHSA-N 1 0 351.516 2.191 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](OC)C(C)C)cc2F)CC1 ZINC000769928907 681000970 /nfs/dbraw/zinc/00/09/70/681000970.db2.gz FVFBKXUYNTXZMW-GOSISDBHSA-N 1 0 351.466 2.255 20 10 FECDRO C[C@H]([NH3+])CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843474686 681005806 /nfs/dbraw/zinc/00/58/06/681005806.db2.gz VIXDFBOSYJIIHP-MJWAUXSNSA-N 1 0 369.537 2.193 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000844173513 681042918 /nfs/dbraw/zinc/04/29/18/681042918.db2.gz GRHNKVODVVCWMU-HNNXBMFYSA-N 1 0 355.454 2.101 20 10 FECDRO CS(=O)(=O)Cc1nc(CN2CCCc3cc(C[NH3+])ccc32)cs1 ZINC000844219197 681045479 /nfs/dbraw/zinc/04/54/79/681045479.db2.gz HSQSXHLXIGMVIS-UHFFFAOYSA-N 1 0 351.497 2.099 20 10 FECDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846213801 681202246 /nfs/dbraw/zinc/20/22/46/681202246.db2.gz KRLOWHUOPDXKRP-KXBFYZLASA-N 1 0 352.450 2.245 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)c1 ZINC000775365557 681300816 /nfs/dbraw/zinc/30/08/16/681300816.db2.gz WJHFCQLAONVCHR-NSHDSACASA-N 1 0 354.428 2.095 20 10 FECDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000775380861 681302572 /nfs/dbraw/zinc/30/25/72/681302572.db2.gz YMPCFMJSWQOAOA-SOUVJXGZSA-N 1 0 372.506 2.352 20 10 FECDRO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000775396391 681303935 /nfs/dbraw/zinc/30/39/35/681303935.db2.gz SXHBYKNCJGIILJ-CVEARBPZSA-N 1 0 372.918 2.177 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)c1O ZINC000848525271 681571285 /nfs/dbraw/zinc/57/12/85/681571285.db2.gz LCASKVFTUQNQHX-VHSXEESVSA-N 1 0 355.236 2.494 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCCC2=O)c1O ZINC000848556129 681577588 /nfs/dbraw/zinc/57/75/88/681577588.db2.gz NOFRVCFGMHEEBD-JTQLQIEISA-N 1 0 357.248 2.436 20 10 FECDRO C[C@@H](NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1ccc(N(C)C)cc1 ZINC000914392203 685506413 /nfs/dbraw/zinc/50/64/13/685506413.db2.gz VRIJVBGFFJJPOK-QAPCUYQASA-N 1 0 351.516 2.219 20 10 FECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1F ZINC000858106723 682934788 /nfs/dbraw/zinc/93/47/88/682934788.db2.gz PSOFLTBTOFIJEY-INIZCTEOSA-N 1 0 350.413 2.387 20 10 FECDRO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000858468010 682971132 /nfs/dbraw/zinc/97/11/32/682971132.db2.gz BHUKFMPOLVUTAU-MORSLUCNSA-N 1 0 354.878 2.367 20 10 FECDRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000795656285 683077809 /nfs/dbraw/zinc/07/78/09/683077809.db2.gz ILDFTAUQWAYQBP-QGZVFWFLSA-N 1 0 352.500 2.127 20 10 FECDRO CCOCc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)ccc1OC ZINC000796513983 683167251 /nfs/dbraw/zinc/16/72/51/683167251.db2.gz SDCNVHXVIRKQQZ-QGZVFWFLSA-N 1 0 370.515 2.135 20 10 FECDRO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000927135657 683211394 /nfs/dbraw/zinc/21/13/94/683211394.db2.gz ZWTSYJRITOAZPF-UGSOOPFHSA-N 1 0 364.877 2.294 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927633590 683279814 /nfs/dbraw/zinc/27/98/14/683279814.db2.gz ODAJRYLYZFLHGT-OAHLLOKOSA-N 1 0 353.850 2.098 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861700989 683458217 /nfs/dbraw/zinc/45/82/17/683458217.db2.gz MDGCBHCCFTUJFP-GXFFZTMASA-N 1 0 356.264 2.437 20 10 FECDRO CC(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921796415 683577226 /nfs/dbraw/zinc/57/72/26/683577226.db2.gz IQUROJOVDHKOEM-UHFFFAOYSA-N 1 0 352.500 2.304 20 10 FECDRO COc1c(O)c(C[NH2+]Cc2c(C(F)(F)F)cnn2C)ccc1[N+](=O)[O-] ZINC000862436067 683591553 /nfs/dbraw/zinc/59/15/53/683591553.db2.gz VPMFGBHANGNLIO-UHFFFAOYSA-N 1 0 360.292 2.351 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000862481197 683594723 /nfs/dbraw/zinc/59/47/23/683594723.db2.gz CKTRFFSCLUXJSR-CQSZACIVSA-N 1 0 358.833 2.160 20 10 FECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000862545427 683599986 /nfs/dbraw/zinc/59/99/86/683599986.db2.gz SEUQLUBVPMRNIN-WCQYABFASA-N 1 0 354.204 2.466 20 10 FECDRO COc1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1Cn1cccn1 ZINC000873132476 685078090 /nfs/dbraw/zinc/07/80/90/685078090.db2.gz VCYFEUHRIISHPK-MRXNPFEDSA-N 1 0 350.413 2.369 20 10 FECDRO COc1cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)sn1 ZINC000877145265 686331896 /nfs/dbraw/zinc/33/18/96/686331896.db2.gz FSZOAKFQBXYKFG-CQSZACIVSA-N 1 0 360.483 2.143 20 10 FECDRO CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)[C@H]1C[NH+]2CCC1CC2 ZINC000877145107 686332278 /nfs/dbraw/zinc/33/22/78/686332278.db2.gz DDKIUMJCCXUHIL-KRWDZBQOSA-N 1 0 356.495 2.482 20 10 FECDRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000879649427 686879793 /nfs/dbraw/zinc/87/97/93/686879793.db2.gz SNBITEJMOCLJOO-GFCCVEGCSA-N 1 0 351.472 2.101 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)C(F)F)cc2F)CC1 ZINC000881282624 687121710 /nfs/dbraw/zinc/12/17/10/687121710.db2.gz LCLTWPVKLJEWDH-LBPRGKRZSA-N 1 0 358.408 2.420 20 10 FECDRO C[C@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])CN1CC[NH+](C)CC1 ZINC000882979830 687539906 /nfs/dbraw/zinc/53/99/06/687539906.db2.gz OKGJUQRGAMIZLP-GFCCVEGCSA-N 1 0 374.298 2.267 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000883069982 687556467 /nfs/dbraw/zinc/55/64/67/687556467.db2.gz CLPLCHPASXHBSQ-CQSZACIVSA-N 1 0 371.312 2.431 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H]3CCSC3)cc2)CC1 ZINC000883798545 687730379 /nfs/dbraw/zinc/73/03/79/687730379.db2.gz KKKASBPOKRQNPY-KRWDZBQOSA-N 1 0 362.543 2.381 20 10 FECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000886511408 688270541 /nfs/dbraw/zinc/27/05/41/688270541.db2.gz SSRIIHFEEKUVPU-CABCVRRESA-N 1 0 350.434 2.218 20 10 FECDRO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000886665522 688287767 /nfs/dbraw/zinc/28/77/67/688287767.db2.gz AKKXASPQBSHMLU-BHYGNILZSA-N 1 0 352.450 2.243 20 10 FECDRO CSC(C)(C)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669266 688804612 /nfs/dbraw/zinc/80/46/12/688804612.db2.gz DUSLZOGIEHAXTQ-UHFFFAOYSA-N 1 0 350.532 2.379 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CSCCS2)[NH+](C)C)cc1 ZINC000891252662 689040453 /nfs/dbraw/zinc/04/04/53/689040453.db2.gz LXNSQMTYNRNWGX-HZPDHXFCSA-N 1 0 353.557 2.320 20 10 FECDRO COc1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(O)c1OC ZINC000891589364 689080950 /nfs/dbraw/zinc/08/09/50/689080950.db2.gz NDUHUPKRETYYIG-INIZCTEOSA-N 1 0 350.459 2.096 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892613715 689218891 /nfs/dbraw/zinc/21/88/91/689218891.db2.gz YGAITNGOOOEMQU-ZBFHGGJFSA-N 1 0 354.541 2.153 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892613712 689218910 /nfs/dbraw/zinc/21/89/10/689218910.db2.gz YGAITNGOOOEMQU-GDBMZVCRSA-N 1 0 354.541 2.153 20 10 FECDRO COc1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c(O)c1OC ZINC000893513676 689359880 /nfs/dbraw/zinc/35/98/80/689359880.db2.gz SZYCEVNZGMTHLI-CQSZACIVSA-N 1 0 351.443 2.427 20 10 FECDRO COc1cc(C)cc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000894187086 689482715 /nfs/dbraw/zinc/48/27/15/689482715.db2.gz YZKLMNDUNWVOKP-UHFFFAOYSA-N 1 0 364.467 2.249 20 10 FECDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894222058 689489000 /nfs/dbraw/zinc/48/90/00/689489000.db2.gz YFKOQWXTYAPVHR-ZDUSSCGKSA-N 1 0 364.467 2.468 20 10 FECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000895076942 689655097 /nfs/dbraw/zinc/65/50/97/689655097.db2.gz WVONEJVYKRIJMK-CQSZACIVSA-N 1 0 363.435 2.034 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000896609420 689905528 /nfs/dbraw/zinc/90/55/28/689905528.db2.gz NTGYNBVUGXFYLR-KGLIPLIRSA-N 1 0 355.891 2.425 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000896609422 689905637 /nfs/dbraw/zinc/90/56/37/689905637.db2.gz NTGYNBVUGXFYLR-UONOGXRCSA-N 1 0 355.891 2.425 20 10 FECDRO COC1CC[NH+](CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896883279 689943700 /nfs/dbraw/zinc/94/37/00/689943700.db2.gz GKXHKAIPNSPXEO-UHFFFAOYSA-N 1 0 350.440 2.153 20 10 FECDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000897229640 689991674 /nfs/dbraw/zinc/99/16/74/689991674.db2.gz XTSIWUATKLDHNR-OAHLLOKOSA-N 1 0 355.276 2.498 20 10 FECDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc2cc(O)c(O)cc2s1 ZINC000897234746 689992287 /nfs/dbraw/zinc/99/22/87/689992287.db2.gz IVMGKGYHDRHKPS-ZDUSSCGKSA-N 1 0 364.467 2.279 20 10 FECDRO CN(C)c1ccc([C@@H](CNc2cc(C(N)=O)nc(Cl)n2)[NH+](C)C)cc1 ZINC000897523615 690034344 /nfs/dbraw/zinc/03/43/44/690034344.db2.gz VLWZAGFUMJEJAM-CQSZACIVSA-N 1 0 362.865 2.010 20 10 FECDRO COc1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1O ZINC000897647900 690056214 /nfs/dbraw/zinc/05/62/14/690056214.db2.gz MPLOTHYTPZGPIV-UKRRQHHQSA-N 1 0 352.431 2.125 20 10 FECDRO C[C@@H](CCCO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098603 690303292 /nfs/dbraw/zinc/30/32/92/690303292.db2.gz PTKXTMVHYMBUOB-MAUKXSAKSA-N 1 0 350.507 2.063 20 10 FECDRO CO[C@@]1(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CCS(=O)(=O)C1 ZINC000903365389 690886704 /nfs/dbraw/zinc/88/67/04/690886704.db2.gz MUQQKWBYUSLSQJ-FZKQIMNGSA-N 1 0 353.484 2.125 20 10 FECDRO COc1cc(N(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc(OC)c1OC ZINC000903733926 690968450 /nfs/dbraw/zinc/96/84/50/690968450.db2.gz MXSNXQYFMLIAKM-OAHLLOKOSA-N 1 0 350.459 2.307 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000359958534 210201040 /nfs/dbraw/zinc/20/10/40/210201040.db2.gz KGTFPYFJGZQRQS-FXAWDEMLSA-N 1 0 373.541 2.328 20 10 FECDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000328631514 132306356 /nfs/dbraw/zinc/30/63/56/132306356.db2.gz KNKBYXLRSFCGFI-AZUAARDMSA-N 1 0 374.460 2.406 20 10 FECDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000328631924 132306451 /nfs/dbraw/zinc/30/64/51/132306451.db2.gz KYOOWBRMRJQVME-HKUYNNGSSA-N 1 0 374.460 2.499 20 10 FECDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090057288 542781258 /nfs/dbraw/zinc/78/12/58/542781258.db2.gz SYQOFZIIVZJYEU-LIRRHRJNSA-N 1 0 352.450 2.100 20 10 FECDRO Cc1ccc(O)c(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000091069753 542793303 /nfs/dbraw/zinc/79/33/03/542793303.db2.gz UEODGPHEIUTUMA-UHFFFAOYSA-N 1 0 350.440 2.241 20 10 FECDRO CN(C)c1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1F ZINC000127114003 543973195 /nfs/dbraw/zinc/97/31/95/543973195.db2.gz CPZUELLBEXAKEB-UHFFFAOYSA-N 1 0 373.476 2.267 20 10 FECDRO CC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[NH+](C)C ZINC000126442461 543935807 /nfs/dbraw/zinc/93/58/07/543935807.db2.gz BIBBTYKKXQFVPE-MRXNPFEDSA-N 1 0 373.419 2.498 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)c1ccncc1)cc2=O ZINC000127650749 544005645 /nfs/dbraw/zinc/00/56/45/544005645.db2.gz KHWDVACHMODAKZ-LBPRGKRZSA-N 1 0 355.398 2.200 20 10 FECDRO C[NH+](C)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000133590814 544275710 /nfs/dbraw/zinc/27/57/10/544275710.db2.gz HZTLYVPVOCRTFW-UHFFFAOYSA-N 1 0 356.417 2.118 20 10 FECDRO CCCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c(O)c1 ZINC000151266678 544522749 /nfs/dbraw/zinc/52/27/49/544522749.db2.gz MCRDWUCBWYJIRB-UHFFFAOYSA-N 1 0 368.499 2.227 20 10 FECDRO COc1cccc(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000155406757 545522544 /nfs/dbraw/zinc/52/25/44/545522544.db2.gz HJJHLLSBIXUANI-UHFFFAOYSA-N 1 0 369.465 2.229 20 10 FECDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000160557997 546050661 /nfs/dbraw/zinc/05/06/61/546050661.db2.gz HRODTCOHRUMOLX-CZUORRHYSA-N 1 0 359.449 2.228 20 10 FECDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000160558135 546051058 /nfs/dbraw/zinc/05/10/58/546051058.db2.gz HRODTCOHRUMOLX-CJNGLKHVSA-N 1 0 359.449 2.228 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000162812366 546140965 /nfs/dbraw/zinc/14/09/65/546140965.db2.gz RDJAYBVFFUHPPW-QGZVFWFLSA-N 1 0 357.502 2.292 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000165487522 546153877 /nfs/dbraw/zinc/15/38/77/546153877.db2.gz VPQPBHHVETUTBX-CQSZACIVSA-N 1 0 371.403 2.158 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1F ZINC000167740239 546158776 /nfs/dbraw/zinc/15/87/76/546158776.db2.gz ROTXQCVQHORZES-UHFFFAOYSA-N 1 0 374.464 2.118 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccncc3)cc2F)CC1 ZINC000171693474 546219542 /nfs/dbraw/zinc/21/95/42/546219542.db2.gz IJAMTVSWJXSRIG-UHFFFAOYSA-N 1 0 371.460 2.362 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186516911 548146608 /nfs/dbraw/zinc/14/66/08/548146608.db2.gz YFFIWQIZKZGQSD-YPHWWSSASA-N 1 0 355.482 2.279 20 10 FECDRO COc1cc(O)c(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1OC ZINC000189898877 548314260 /nfs/dbraw/zinc/31/42/60/548314260.db2.gz VTOQFXRZWVGZRF-UHFFFAOYSA-N 1 0 358.442 2.332 20 10 FECDRO COc1cccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000190310540 548322591 /nfs/dbraw/zinc/32/25/91/548322591.db2.gz UXAVMNWAEZUGMZ-OAQYLSRUSA-N 1 0 356.466 2.470 20 10 FECDRO C[C@H]([NH3+])CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000193301578 548384268 /nfs/dbraw/zinc/38/42/68/548384268.db2.gz DFLVJRUHDDPSOR-LBPRGKRZSA-N 1 0 359.392 2.286 20 10 FECDRO Cc1cccc(N2CC[NH+](CCC(=O)NCCc3ccc(N)cc3)CC2)c1 ZINC000237719103 548846740 /nfs/dbraw/zinc/84/67/40/548846740.db2.gz RKQLCVFGFGFFOK-UHFFFAOYSA-N 1 0 366.509 2.448 20 10 FECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000248065944 549404979 /nfs/dbraw/zinc/40/49/79/549404979.db2.gz MFJOLVBXBISXKJ-HHGHRULOSA-N 1 0 369.509 2.479 20 10 FECDRO COCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000265734154 550013851 /nfs/dbraw/zinc/01/38/51/550013851.db2.gz LGFZSKTWHZEBRU-QGZVFWFLSA-N 1 0 360.502 2.147 20 10 FECDRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000268615288 550094408 /nfs/dbraw/zinc/09/44/08/550094408.db2.gz SMJZLTZTQKVGFE-UHFFFAOYSA-N 1 0 374.529 2.321 20 10 FECDRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000268813967 550119192 /nfs/dbraw/zinc/11/91/92/550119192.db2.gz LRSLBYQEWFJEGQ-GOSISDBHSA-N 1 0 358.530 2.492 20 10 FECDRO C[NH+]1CCN(CCOc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC000269315100 550180375 /nfs/dbraw/zinc/18/03/75/550180375.db2.gz ZAGZHCDQJYGOBC-UHFFFAOYSA-N 1 0 368.481 2.076 20 10 FECDRO COCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271122191 550342228 /nfs/dbraw/zinc/34/22/28/550342228.db2.gz HXEMQRARKQWIBD-UHFFFAOYSA-N 1 0 351.466 2.256 20 10 FECDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OC ZINC000271891964 550409103 /nfs/dbraw/zinc/40/91/03/550409103.db2.gz XHAOSQPQSQYRHN-GUYCJALGSA-N 1 0 357.472 2.197 20 10 FECDRO C[NH+](C)CCOc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000272469295 550450981 /nfs/dbraw/zinc/45/09/81/550450981.db2.gz PLDOHXIWHFADBY-UXBLZVDNSA-N 1 0 370.449 2.410 20 10 FECDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000273046789 550481940 /nfs/dbraw/zinc/48/19/40/550481940.db2.gz XTZZEWICHNAGRP-HAWMADMCSA-N 1 0 373.522 2.457 20 10 FECDRO C[NH+]1CCC(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000273197425 550489492 /nfs/dbraw/zinc/48/94/92/550489492.db2.gz JDBYHAFGXDEVGG-UHFFFAOYSA-N 1 0 363.477 2.135 20 10 FECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000273456522 550499068 /nfs/dbraw/zinc/49/90/68/550499068.db2.gz HCENDUCCQMLMSZ-BOFPYLFWSA-N 1 0 362.470 2.207 20 10 FECDRO CN(CCCCO)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000276341341 550578306 /nfs/dbraw/zinc/57/83/06/550578306.db2.gz HDZCQVCEBSGOIG-UHFFFAOYSA-N 1 0 366.417 2.105 20 10 FECDRO COc1cccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000282972790 551291635 /nfs/dbraw/zinc/29/16/35/551291635.db2.gz LMMDAWANPPPHJZ-INIZCTEOSA-N 1 0 356.422 2.170 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283874086 551441877 /nfs/dbraw/zinc/44/18/77/551441877.db2.gz HPMBSEDGJSCPIY-UHFFFAOYSA-N 1 0 373.497 2.264 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000284461656 551553837 /nfs/dbraw/zinc/55/38/37/551553837.db2.gz QNCPDMBKOUVFES-UHFFFAOYSA-N 1 0 361.486 2.121 20 10 FECDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000285203809 551720203 /nfs/dbraw/zinc/72/02/03/551720203.db2.gz WNCWFEJKQLMEMJ-OAHLLOKOSA-N 1 0 363.332 2.337 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCC[C@H]1SCC)cc2=O ZINC000285591617 551779779 /nfs/dbraw/zinc/77/97/79/551779779.db2.gz BLTOONKXAJASHX-UONOGXRCSA-N 1 0 364.471 2.375 20 10 FECDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000286078433 551846130 /nfs/dbraw/zinc/84/61/30/551846130.db2.gz JYYPKVXIKGREIV-FUHWJXTLSA-N 1 0 363.477 2.447 20 10 FECDRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000290030605 552416844 /nfs/dbraw/zinc/41/68/44/552416844.db2.gz CUYUKZILHXGPIH-AWEZNQCLSA-N 1 0 357.495 2.358 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000290368046 552468060 /nfs/dbraw/zinc/46/80/60/552468060.db2.gz HFTKFJUUCVTXDN-YLJYHZDGSA-N 1 0 356.466 2.373 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)ccc1N(C)C ZINC000294298808 552895106 /nfs/dbraw/zinc/89/51/06/552895106.db2.gz WVVPFMLPRCQBMW-KRWDZBQOSA-N 1 0 351.516 2.061 20 10 FECDRO O=C1COc2ccc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)cc2N1 ZINC000294385587 552902147 /nfs/dbraw/zinc/90/21/47/552902147.db2.gz UZPMJJRYPJUBDB-UHFFFAOYSA-N 1 0 371.412 2.283 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1C[C@@H](OCC)C13CCC3)cc2=O ZINC000295846810 553067440 /nfs/dbraw/zinc/06/74/40/553067440.db2.gz DFWZOCNVLSEVLJ-HUUCEWRRSA-N 1 0 374.441 2.049 20 10 FECDRO C[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000296417504 553156762 /nfs/dbraw/zinc/15/67/62/553156762.db2.gz LEIROULWIMUALB-VQIMIIECSA-N 1 0 366.527 2.267 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3ncccc3C(=O)NC)cc2F)CC1 ZINC000301401727 553649429 /nfs/dbraw/zinc/64/94/29/553649429.db2.gz QQYZCSCHMLMZLC-UHFFFAOYSA-N 1 0 371.460 2.334 20 10 FECDRO COc1cc([N+](=O)[O-])c(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1OC ZINC000301923733 553692612 /nfs/dbraw/zinc/69/26/12/553692612.db2.gz LUWCHXGSSZHBFC-CYBMUJFWSA-N 1 0 365.430 2.302 20 10 FECDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc(N(C)C)cc4)C[C@@H]3C2)no1 ZINC000362086391 554948893 /nfs/dbraw/zinc/94/88/93/554948893.db2.gz LIDXMDXORUNJOQ-CALCHBBNSA-N 1 0 355.486 2.262 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000363892872 555208235 /nfs/dbraw/zinc/20/82/35/555208235.db2.gz DFERIYDFOMGFGZ-ACJLOTCBSA-N 1 0 370.453 2.341 20 10 FECDRO COc1ccnc(NC2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)n1 ZINC000364390170 555304559 /nfs/dbraw/zinc/30/45/59/555304559.db2.gz YVJIGKQFDYNDTG-UHFFFAOYSA-N 1 0 374.441 2.285 20 10 FECDRO CN(C)c1ccc(C2=CC[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)cc1 ZINC000374327882 557866619 /nfs/dbraw/zinc/86/66/19/557866619.db2.gz XRPOWKULRUVSAL-UHFFFAOYSA-N 1 0 368.481 2.316 20 10 FECDRO O[C@@H]1[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC12CCOCC2 ZINC000374685517 557916770 /nfs/dbraw/zinc/91/67/70/557916770.db2.gz DVBBPOQPVPAZKL-UYAOXDASSA-N 1 0 360.498 2.181 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)c1 ZINC000377721156 558405313 /nfs/dbraw/zinc/40/53/13/558405313.db2.gz SQBQKKSSZKFWQS-DRZSPHRISA-N 1 0 350.394 2.360 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1O ZINC000529645983 562380077 /nfs/dbraw/zinc/38/00/77/562380077.db2.gz VAOYARIRDNQDTB-SFHVURJKSA-N 1 0 354.878 2.059 20 10 FECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CN(C)C1CC1 ZINC000809950946 674521406 /nfs/dbraw/zinc/52/14/06/674521406.db2.gz SKEXSSAJSPYQIB-HNNXBMFYSA-N 1 0 357.292 2.432 20 10 FECDRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000810214892 674537276 /nfs/dbraw/zinc/53/72/76/674537276.db2.gz KYWXHNFAWKTDPA-GOSISDBHSA-N 1 0 358.463 2.436 20 10 FECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000815117591 674920836 /nfs/dbraw/zinc/92/08/36/674920836.db2.gz HSJJHLHXFMISMV-KRWDZBQOSA-N 1 0 365.543 2.437 20 10 FECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1csnn1 ZINC000092531825 670741525 /nfs/dbraw/zinc/74/15/25/670741525.db2.gz GISCQRIOJFOWMV-UHFFFAOYSA-N 1 0 357.483 2.000 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646785 670753919 /nfs/dbraw/zinc/75/39/19/670753919.db2.gz ZOWGFLZOVOBMSE-OALUTQOASA-N 1 0 366.527 2.311 20 10 FECDRO CCc1cc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000116869939 670909063 /nfs/dbraw/zinc/90/90/63/670909063.db2.gz MVNPIMQPGSBFHI-HNNXBMFYSA-N 1 0 354.516 2.376 20 10 FECDRO Brc1cnn(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000319054172 673036274 /nfs/dbraw/zinc/03/62/74/673036274.db2.gz GABDYFFOCWUSPA-UHFFFAOYSA-N 1 0 365.275 2.272 20 10 FECDRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cc(Cl)ccc1O ZINC000725848245 673094115 /nfs/dbraw/zinc/09/41/15/673094115.db2.gz YUOSWYFMURYSBN-UHFFFAOYSA-N 1 0 354.859 2.255 20 10 FECDRO C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726625589 673132761 /nfs/dbraw/zinc/13/27/61/673132761.db2.gz KCXQUQCQSHUEOJ-MRXNPFEDSA-N 1 0 353.413 2.467 20 10 FECDRO CSC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000818963819 675247208 /nfs/dbraw/zinc/24/72/08/675247208.db2.gz ASZQSIHMFXJWCD-CQSZACIVSA-N 1 0 364.433 2.356 20 10 FECDRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819039821 675254683 /nfs/dbraw/zinc/25/46/83/675254683.db2.gz ULAQTJLTJHPREZ-PXNSSMCTSA-N 1 0 350.503 2.425 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1O ZINC000824584024 675612060 /nfs/dbraw/zinc/61/20/60/675612060.db2.gz VEZFSAVQFYKZQE-CQSZACIVSA-N 1 0 373.291 2.100 20 10 FECDRO OCc1cn([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)nn1 ZINC000826016750 675678158 /nfs/dbraw/zinc/67/81/58/675678158.db2.gz LJNORNOWXAPRJF-CQSZACIVSA-N 1 0 367.247 2.076 20 10 FECDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1O ZINC000826937694 675717236 /nfs/dbraw/zinc/71/72/36/675717236.db2.gz SWLRTRFGTKBLFF-UHFFFAOYSA-N 1 0 360.479 2.225 20 10 FECDRO O=C(CC1(O)CCC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095921 675728904 /nfs/dbraw/zinc/72/89/04/675728904.db2.gz NTRARKHOYJJIOL-OAHLLOKOSA-N 1 0 352.862 2.431 20 10 FECDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](C)[NH3+] ZINC000827365712 675751258 /nfs/dbraw/zinc/75/12/58/675751258.db2.gz VRMSJAKFCJPMLA-SCLBCKFNSA-N 1 0 351.466 2.022 20 10 FECDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(OCC)c2O)c1 ZINC000839149783 680741938 /nfs/dbraw/zinc/74/19/38/680741938.db2.gz WBBDJWGCTPSZKU-UHFFFAOYSA-N 1 0 364.467 2.379 20 10 FECDRO C[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000839563505 680761962 /nfs/dbraw/zinc/76/19/62/680761962.db2.gz LKSXRASWBXAVLN-NSHDSACASA-N 1 0 360.380 2.181 20 10 FECDRO O=C(c1cn[nH]c1[C@H]1CC[NH2+]C1)N1CCc2ccc(Br)cc21 ZINC000662457754 678623673 /nfs/dbraw/zinc/62/36/73/678623673.db2.gz MTBXWPOPDZBTMZ-NSHDSACASA-N 1 0 361.243 2.452 20 10 FECDRO Nc1nc(-n2cccn2)cc(NCc2cccc(Br)c2O)[nH+]1 ZINC000764934038 680824749 /nfs/dbraw/zinc/82/47/49/680824749.db2.gz HTOHJPNYQUQSFO-UHFFFAOYSA-N 1 0 361.203 2.325 20 10 FECDRO C[NH+]1CCC(NC(=S)NCc2cccc(Br)c2O)CC1 ZINC000765991508 680862782 /nfs/dbraw/zinc/86/27/82/680862782.db2.gz BCBYQTIOMLIBEG-UHFFFAOYSA-N 1 0 358.305 2.213 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H](SC)C1)cc2=O ZINC000749465614 680052475 /nfs/dbraw/zinc/05/24/75/680052475.db2.gz FVRZREVFLZIVQD-ZDUSSCGKSA-N 1 0 364.471 2.329 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2csc([C@@H]3CCCO3)n2)cc1 ZINC000832267717 680119017 /nfs/dbraw/zinc/11/90/17/680119017.db2.gz ZNHRIJWQXZCQGZ-ZBFHGGJFSA-N 1 0 360.483 2.490 20 10 FECDRO CCS(=O)(=O)N1CCC(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835046984 680291069 /nfs/dbraw/zinc/29/10/69/680291069.db2.gz BFRSHVPKKRYIRA-WAYWQWQTSA-N 1 0 365.543 2.417 20 10 FECDRO C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756605711 680488455 /nfs/dbraw/zinc/48/84/55/680488455.db2.gz UPSCACRAMTXAHH-JTQLQIEISA-N 1 0 361.255 2.401 20 10 FECDRO [NH3+]CC[C@@H](NC(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC000841332488 680873473 /nfs/dbraw/zinc/87/34/73/680873473.db2.gz GHIJPYQZTBRECY-SECBINFHSA-N 1 0 370.169 2.234 20 10 FECDRO C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843889 680914486 /nfs/dbraw/zinc/91/44/86/680914486.db2.gz ODQQNYJNTVDUKZ-OLZOCXBDSA-N 1 0 356.417 2.245 20 10 FECDRO C[C@](O)(C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1)C(F)(F)F ZINC000767513903 680914732 /nfs/dbraw/zinc/91/47/32/680914732.db2.gz MQYSZFHQLFYIMM-ZBFHGGJFSA-N 1 0 361.360 2.343 20 10 FECDRO Cc1cccc(F)c1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785616 680966311 /nfs/dbraw/zinc/96/63/11/680966311.db2.gz ORQBWPOZYJFBHE-INIZCTEOSA-N 1 0 351.447 2.178 20 10 FECDRO CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054682 681039477 /nfs/dbraw/zinc/03/94/77/681039477.db2.gz VKAYLDABBAMSPR-IUODEOHRSA-N 1 0 367.877 2.041 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000844173514 681043112 /nfs/dbraw/zinc/04/31/12/681043112.db2.gz GRHNKVODVVCWMU-OAHLLOKOSA-N 1 0 355.454 2.101 20 10 FECDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845012959 681098680 /nfs/dbraw/zinc/09/86/80/681098680.db2.gz RYUPMLYLQUVDQT-AWEZNQCLSA-N 1 0 368.909 2.118 20 10 FECDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846144549 681188738 /nfs/dbraw/zinc/18/87/38/681188738.db2.gz MJFBMPSZTIOENZ-CYBMUJFWSA-N 1 0 364.467 2.301 20 10 FECDRO C[N@H+]1CC=C(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000776038416 681357607 /nfs/dbraw/zinc/35/76/07/681357607.db2.gz XKFSAYZZMNPTLF-UHFFFAOYSA-N 1 0 360.527 2.301 20 10 FECDRO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000933697571 681453172 /nfs/dbraw/zinc/45/31/72/681453172.db2.gz WKLNFPHUDSCEPL-AEFFLSMTSA-N 1 0 365.543 2.342 20 10 FECDRO Cn1c(Cl)ncc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000848527441 681571913 /nfs/dbraw/zinc/57/19/13/681571913.db2.gz BLZDEGFCDCCSRS-CQSZACIVSA-N 1 0 361.877 2.065 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)c1O ZINC000848555160 681577441 /nfs/dbraw/zinc/57/74/41/681577441.db2.gz MEPLSLRKKSKJMT-BMIGLBTASA-N 1 0 360.248 2.355 20 10 FECDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000778157866 681580980 /nfs/dbraw/zinc/58/09/80/681580980.db2.gz FHFXJZKUBMJJDI-KRWDZBQOSA-N 1 0 361.511 2.404 20 10 FECDRO CC(C)(C)OC1CC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000779059806 681676542 /nfs/dbraw/zinc/67/65/42/681676542.db2.gz DTONKSOMFUVDOP-UHFFFAOYSA-N 1 0 366.527 2.357 20 10 FECDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850073188 681846807 /nfs/dbraw/zinc/84/68/07/681846807.db2.gz XNGDCPYNSZLLSR-UHOFOFEASA-N 1 0 350.434 2.074 20 10 FECDRO COc1ccc(N2CCC([NH2+]CCC3(CS(C)(=O)=O)CC3)CC2)cc1 ZINC000850345068 681888239 /nfs/dbraw/zinc/88/82/39/681888239.db2.gz IHZJOGGELMLVCZ-UHFFFAOYSA-N 1 0 366.527 2.469 20 10 FECDRO Cc1ccc(O)c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000850351485 681889483 /nfs/dbraw/zinc/88/94/83/681889483.db2.gz NUZSCPZYLDOPNT-UHFFFAOYSA-N 1 0 364.243 2.378 20 10 FECDRO CC[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000850356209 681890356 /nfs/dbraw/zinc/89/03/56/681890356.db2.gz QDYREEHCEYJJJX-MJGOQNOKSA-N 1 0 366.527 2.216 20 10 FECDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000850556648 681916717 /nfs/dbraw/zinc/91/67/17/681916717.db2.gz LFXZDWRMDCMYBM-AWEZNQCLSA-N 1 0 370.490 2.280 20 10 FECDRO COc1cc(N2CC[NH+](CC[C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000783674611 682166463 /nfs/dbraw/zinc/16/64/63/682166463.db2.gz YKEXFXDDIIIVIA-HNNXBMFYSA-N 1 0 350.459 2.261 20 10 FECDRO COCCN1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000784547103 682236625 /nfs/dbraw/zinc/23/66/25/682236625.db2.gz ZUUDRENVEOEFLU-MSOLQXFVSA-N 1 0 367.921 2.320 20 10 FECDRO Cc1[nH+]ccc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1Cl ZINC000853790039 682469922 /nfs/dbraw/zinc/46/99/22/682469922.db2.gz BFHGQPBEAZKNJB-UHFFFAOYSA-N 1 0 365.886 2.312 20 10 FECDRO CC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(C)cc1O ZINC000794803562 682997226 /nfs/dbraw/zinc/99/72/26/682997226.db2.gz ALCQEAFMPMYUIV-QGZVFWFLSA-N 1 0 354.516 2.250 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000796513950 683167294 /nfs/dbraw/zinc/16/72/94/683167294.db2.gz QNHXDFGGIFJDOF-GOSISDBHSA-N 1 0 353.532 2.437 20 10 FECDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCC(F)(F)F ZINC000920866998 683375063 /nfs/dbraw/zinc/37/50/63/683375063.db2.gz LLOMEPNHEWTDAH-CHWSQXEVSA-N 1 0 359.392 2.241 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCC(F)(F)F ZINC000920867005 683375230 /nfs/dbraw/zinc/37/52/30/683375230.db2.gz LLOMEPNHEWTDAH-QWHCGFSZSA-N 1 0 359.392 2.241 20 10 FECDRO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCSCC3)cc1)COCC2 ZINC000921552586 683499377 /nfs/dbraw/zinc/49/93/77/683499377.db2.gz WHOVPXNDLIZOIE-UHFFFAOYSA-N 1 0 358.511 2.336 20 10 FECDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000863340266 683708642 /nfs/dbraw/zinc/70/86/42/683708642.db2.gz JLWDYSLUWDYGNT-ZDUSSCGKSA-N 1 0 370.515 2.157 20 10 FECDRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(Br)ccc2O)[nH]1 ZINC000922409802 683716618 /nfs/dbraw/zinc/71/66/18/683716618.db2.gz SNWGGBCVLPQABY-QMTHXVAHSA-N 1 0 367.247 2.449 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c1O ZINC000922488911 683733574 /nfs/dbraw/zinc/73/35/74/683733574.db2.gz MISCSRVJGMVJNP-JTQLQIEISA-N 1 0 357.248 2.121 20 10 FECDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@H]21 ZINC000870982229 684777644 /nfs/dbraw/zinc/77/76/44/684777644.db2.gz MABOKEGZLZYEIK-WMLDXEAASA-N 1 0 356.495 2.482 20 10 FECDRO CC(C)(O)C[C@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000872199601 684926515 /nfs/dbraw/zinc/92/65/15/684926515.db2.gz IMNSPGSMBMRIMH-HNNXBMFYSA-N 1 0 358.429 2.368 20 10 FECDRO CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000872203164 684927177 /nfs/dbraw/zinc/92/71/77/684927177.db2.gz BRAYSNGWGZVTLK-UKRRQHHQSA-N 1 0 358.429 2.368 20 10 FECDRO COc1cccc(C[C@@H]([NH3+])C(=O)NCCCSc2nccs2)c1 ZINC000876662418 686239086 /nfs/dbraw/zinc/23/90/86/686239086.db2.gz OLXXXRPNTWQTLM-CQSZACIVSA-N 1 0 351.497 2.320 20 10 FECDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000876729627 686255183 /nfs/dbraw/zinc/25/51/83/686255183.db2.gz SGRSXHDTIPKXOM-GFCCVEGCSA-N 1 0 359.392 2.156 20 10 FECDRO COc1ncc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000877146389 686332370 /nfs/dbraw/zinc/33/23/70/686332370.db2.gz SBEVEAKJQXKEOV-AWEZNQCLSA-N 1 0 360.483 2.143 20 10 FECDRO O[C@@H]([C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571648 686412238 /nfs/dbraw/zinc/41/22/38/686412238.db2.gz GVQRKFIJBIKUAV-YOEHRIQHSA-N 1 0 358.404 2.393 20 10 FECDRO Cc1cccc(C[NH2+]Cc2c(I)cnn2C)c1O ZINC000877776413 686453829 /nfs/dbraw/zinc/45/38/29/686453829.db2.gz JMHKKMOMEXYAKO-UHFFFAOYSA-N 1 0 357.195 2.329 20 10 FECDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000885983284 688191723 /nfs/dbraw/zinc/19/17/23/688191723.db2.gz BXWRHOLPNOFLJU-MJGOQNOKSA-N 1 0 366.527 2.359 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)C2(Br)CC2)[NH+](C)C)cc1 ZINC000891250262 689040166 /nfs/dbraw/zinc/04/01/66/689040166.db2.gz WAHIKWYZMJGLHX-AWEZNQCLSA-N 1 0 354.292 2.399 20 10 FECDRO COc1ccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c(O)c1OC ZINC000891560384 689078166 /nfs/dbraw/zinc/07/81/66/689078166.db2.gz ZVDFLOMBVACKJW-UHFFFAOYSA-N 1 0 350.459 2.394 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCS(=O)CC3)cc2F)C[C@@H](C)O1 ZINC000892621593 689219785 /nfs/dbraw/zinc/21/97/85/689219785.db2.gz LTIPGBONTMAHNI-RIDUBVONSA-N 1 0 354.491 2.440 20 10 FECDRO COc1cc(Cl)cc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1O ZINC000895345165 689700046 /nfs/dbraw/zinc/70/00/46/689700046.db2.gz YAAKEZHCHGXFTK-AWEZNQCLSA-N 1 0 353.850 2.434 20 10 FECDRO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895837953 689778529 /nfs/dbraw/zinc/77/85/29/689778529.db2.gz RZTAGJDTCRZLQP-KRWDZBQOSA-N 1 0 358.404 2.394 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000896609424 689905645 /nfs/dbraw/zinc/90/56/45/689905645.db2.gz NTGYNBVUGXFYLR-ZIAGYGMSSA-N 1 0 355.891 2.425 20 10 FECDRO C[C@H](CCCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098604 690303268 /nfs/dbraw/zinc/30/32/68/690303268.db2.gz PTKXTMVHYMBUOB-QAPCUYQASA-N 1 0 350.507 2.063 20 10 FECDRO CC[C@@H](O)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101870 690304470 /nfs/dbraw/zinc/30/44/70/690304470.db2.gz MUYBNLVULUABLI-QZTJIDSGSA-N 1 0 350.507 2.206 20 10 FECDRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000902524576 690774386 /nfs/dbraw/zinc/77/43/86/690774386.db2.gz RUNHQHFZRRRQCQ-GFCCVEGCSA-N 1 0 360.435 2.402 20 10 FECDRO CO[C@]1(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CCS(=O)(=O)C1 ZINC000903365388 690886753 /nfs/dbraw/zinc/88/67/53/690886753.db2.gz MUQQKWBYUSLSQJ-ACJLOTCBSA-N 1 0 353.484 2.125 20 10 FECDRO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000908460442 691683751 /nfs/dbraw/zinc/68/37/51/691683751.db2.gz TTYVBHBQNBKOJU-INIZCTEOSA-N 1 0 351.472 2.235 20 10 FECDRO Cc1cc(NC(=O)C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000028749211 539836547 /nfs/dbraw/zinc/83/65/47/539836547.db2.gz LQGWCZLGKFBCSP-UHFFFAOYSA-N 1 0 359.382 2.268 20 10 FECDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000800851367 674083002 /nfs/dbraw/zinc/08/30/02/674083002.db2.gz LQACJBLTDOHCOS-KRWDZBQOSA-N 1 0 362.451 2.018 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)SC)CC2)cc1 ZINC000042852231 540081410 /nfs/dbraw/zinc/08/14/10/540081410.db2.gz SORFCELWEYZNAU-OAHLLOKOSA-N 1 0 351.516 2.075 20 10 FECDRO COC(=O)c1ccsc1N1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000072517874 541825019 /nfs/dbraw/zinc/82/50/19/541825019.db2.gz KKCGVDSLYJJKGQ-CQSZACIVSA-N 1 0 360.435 2.478 20 10 FECDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000097174769 543007213 /nfs/dbraw/zinc/00/72/13/543007213.db2.gz WHBMWTYXSWPCNB-LJQANCHMSA-N 1 0 374.529 2.397 20 10 FECDRO Oc1ccc(Br)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000119507141 543668559 /nfs/dbraw/zinc/66/85/59/543668559.db2.gz ZTKJWOKBCHRWOV-UHFFFAOYSA-N 1 0 368.319 2.368 20 10 FECDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000121826680 543699807 /nfs/dbraw/zinc/69/98/07/543699807.db2.gz FUQNSHOEEBCXJB-UHFFFAOYSA-N 1 0 370.478 2.088 20 10 FECDRO CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[NH+](C)C ZINC000126442248 543935987 /nfs/dbraw/zinc/93/59/87/543935987.db2.gz BIBBTYKKXQFVPE-INIZCTEOSA-N 1 0 373.419 2.498 20 10 FECDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000132949307 544249527 /nfs/dbraw/zinc/24/95/27/544249527.db2.gz OOKPTFXVHGJZSG-KRWDZBQOSA-N 1 0 373.409 2.143 20 10 FECDRO C[C@H]1CCC[N@@H+]1C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000134753132 544320811 /nfs/dbraw/zinc/32/08/11/544320811.db2.gz DFRHUIZLXZENOQ-KRWDZBQOSA-N 1 0 358.530 2.318 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](C)N1CCOCC1 ZINC000150935984 544488514 /nfs/dbraw/zinc/48/85/14/544488514.db2.gz DXFIVBDJFVKNLN-IXDOHACOSA-N 1 0 365.493 2.422 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN(C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000178796898 546851516 /nfs/dbraw/zinc/85/15/16/546851516.db2.gz UIWBRPHWRYTVFS-SANMLTNESA-N 1 0 373.522 2.238 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483323177 561274111 /nfs/dbraw/zinc/27/41/11/561274111.db2.gz KEPDOUAYPXSEIT-HOTGVXAUSA-N 1 0 370.497 2.092 20 10 FECDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000182503789 547504487 /nfs/dbraw/zinc/50/44/87/547504487.db2.gz NRJXUBWXNKUUIT-AEFFLSMTSA-N 1 0 370.490 2.108 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]nc3C3CC3)cc2F)CC1 ZINC000190320141 548322122 /nfs/dbraw/zinc/32/21/22/548322122.db2.gz JSPAGTDWBKWHMY-UHFFFAOYSA-N 1 0 371.460 2.498 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3ccc(C(N)=O)cn3)cc2F)CC1 ZINC000264433896 549995944 /nfs/dbraw/zinc/99/59/44/549995944.db2.gz UZUKKHOKXKBQOQ-UHFFFAOYSA-N 1 0 357.433 2.074 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCS3)cc2F)CC1 ZINC000266429745 550020639 /nfs/dbraw/zinc/02/06/39/550020639.db2.gz IHXPAIQDFNUVEH-KRWDZBQOSA-N 1 0 351.491 2.479 20 10 FECDRO COCCC[N@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000266798611 550023774 /nfs/dbraw/zinc/02/37/74/550023774.db2.gz NOJXPPOUYIRQQE-UHFFFAOYSA-N 1 0 362.518 2.395 20 10 FECDRO O=C(NCc1c(O)ccc2c1CCCC2)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000277056639 550627107 /nfs/dbraw/zinc/62/71/07/550627107.db2.gz ONVPUBDDTSFBOG-HNNXBMFYSA-N 1 0 354.454 2.322 20 10 FECDRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000278394740 550780703 /nfs/dbraw/zinc/78/07/03/550780703.db2.gz GCOMGPFAPPBBIR-ICXUMSERSA-N 1 0 352.450 2.243 20 10 FECDRO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000278498016 550792385 /nfs/dbraw/zinc/79/23/85/550792385.db2.gz QGAOUMOLRURIJT-INIZCTEOSA-N 1 0 363.477 2.178 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc2c(cc1O)CCCC2 ZINC000280888262 551042886 /nfs/dbraw/zinc/04/28/86/551042886.db2.gz DWQCJJVGXAKXFW-UONOGXRCSA-N 1 0 368.481 2.480 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000284845425 551648999 /nfs/dbraw/zinc/64/89/99/551648999.db2.gz OQFYDGKAKGRNQL-IOHHAYIISA-N 1 0 358.442 2.147 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCC[C@@H]1SCC)cc2=O ZINC000285591603 551779769 /nfs/dbraw/zinc/77/97/69/551779769.db2.gz BLTOONKXAJASHX-KBPBESRZSA-N 1 0 364.471 2.375 20 10 FECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COCCOC ZINC000294947669 552946479 /nfs/dbraw/zinc/94/64/79/552946479.db2.gz KCPIMENXTLBLCO-CQSZACIVSA-N 1 0 362.264 2.001 20 10 FECDRO COc1cc(Cl)cc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000295112498 552959974 /nfs/dbraw/zinc/95/99/74/552959974.db2.gz LVOXWRWFDOGSFW-CYBMUJFWSA-N 1 0 374.865 2.372 20 10 FECDRO CO[C@H]1C[C@@H](CN(C)C(=O)NCc2c(C)c3ccccc3n2C)[N@H+](C)C1 ZINC000502640016 561622703 /nfs/dbraw/zinc/62/27/03/561622703.db2.gz UTSSVLRCDIKIPQ-HOTGVXAUSA-N 1 0 358.486 2.347 20 10 FECDRO Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccc(N)cc3)CC2)c1 ZINC000297118173 553255384 /nfs/dbraw/zinc/25/53/84/553255384.db2.gz GGWJSUPMTQOEQL-UHFFFAOYSA-N 1 0 352.482 2.406 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NOCC3CC3)cc2F)CC1 ZINC000297336000 553279793 /nfs/dbraw/zinc/27/97/93/553279793.db2.gz MWOFQXWCRCVKPZ-UHFFFAOYSA-N 1 0 350.438 2.108 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000297767486 553336297 /nfs/dbraw/zinc/33/62/97/553336297.db2.gz HXMYXRCMDQYSQB-UHFFFAOYSA-N 1 0 374.529 2.090 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccn3ccnc3c2)cc1 ZINC000297864828 553349594 /nfs/dbraw/zinc/34/95/94/553349594.db2.gz MEDSDHULICYTDD-UHFFFAOYSA-N 1 0 365.437 2.435 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000298733749 553465991 /nfs/dbraw/zinc/46/59/91/553465991.db2.gz PAEKCIQOTRFLQO-UHFFFAOYSA-N 1 0 361.486 2.120 20 10 FECDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000299538430 553578058 /nfs/dbraw/zinc/57/80/58/553578058.db2.gz OPHCESQCORLFRQ-INIZCTEOSA-N 1 0 371.403 2.252 20 10 FECDRO COc1cc(O)c(CN2CCC[N@@H+](C3CCOCC3)CC2)cc1OC ZINC000367225250 556003728 /nfs/dbraw/zinc/00/37/28/556003728.db2.gz AMWNHFNZTLVHID-UHFFFAOYSA-N 1 0 350.459 2.096 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000369026885 556480500 /nfs/dbraw/zinc/48/05/00/556480500.db2.gz JRPIOGGJTGVAJB-MOPGFXCFSA-N 1 0 360.502 2.195 20 10 FECDRO CSCC[C@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370782174 556966797 /nfs/dbraw/zinc/96/67/97/556966797.db2.gz RLKUTLQFEQTHSH-HNNXBMFYSA-N 1 0 373.469 2.453 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371300940 557137197 /nfs/dbraw/zinc/13/71/97/557137197.db2.gz RLMJMMRYYLGHBM-BPQIPLTHSA-N 1 0 350.434 2.417 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2C[C@@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1 ZINC000372428945 557468441 /nfs/dbraw/zinc/46/84/41/557468441.db2.gz SNHOGUXQYPUGGG-HZPDHXFCSA-N 1 0 372.469 2.300 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000373189982 557646849 /nfs/dbraw/zinc/64/68/49/557646849.db2.gz KEDJEOUEWVQKRB-SJCJKPOMSA-N 1 0 351.834 2.164 20 10 FECDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000374258711 557853578 /nfs/dbraw/zinc/85/35/78/557853578.db2.gz WQEFXPAJHWTKPV-NHCUHLMSSA-N 1 0 370.497 2.345 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)c1 ZINC000374353906 557870355 /nfs/dbraw/zinc/87/03/55/557870355.db2.gz WPHQTIJRIHTBDV-SFHVURJKSA-N 1 0 362.470 2.298 20 10 FECDRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000375751520 558076908 /nfs/dbraw/zinc/07/69/08/558076908.db2.gz SWSPENUYMIMIMN-CYBMUJFWSA-N 1 0 352.481 2.254 20 10 FECDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000376062645 558121573 /nfs/dbraw/zinc/12/15/73/558121573.db2.gz UKCQLCOGOCVERA-HXUWFJFHSA-N 1 0 352.482 2.214 20 10 FECDRO COCC[N@H+](C)CCCNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000376892129 558235062 /nfs/dbraw/zinc/23/50/62/558235062.db2.gz HXFLCNAFRDJVRT-UHFFFAOYSA-N 1 0 360.502 2.130 20 10 FECDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc(N(C)C)c(F)c4)C[C@@H]3C2)no1 ZINC000378347096 558535056 /nfs/dbraw/zinc/53/50/56/558535056.db2.gz BZBXAZMOZKXVTE-IYBDPMFKSA-N 1 0 373.476 2.401 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(c2cccnn2)CC1 ZINC000378350864 558536282 /nfs/dbraw/zinc/53/62/82/558536282.db2.gz UVOSHZYMEZJGED-UHFFFAOYSA-N 1 0 367.497 2.414 20 10 FECDRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000392968999 558619818 /nfs/dbraw/zinc/61/98/18/558619818.db2.gz TXIJKBPLVOEJBJ-LLVKDONJSA-N 1 0 360.464 2.018 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000422386138 559584002 /nfs/dbraw/zinc/58/40/02/559584002.db2.gz SICDTPKNVGZSFZ-INIZCTEOSA-N 1 0 370.497 2.044 20 10 FECDRO CNC(=O)C[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000456499127 560522523 /nfs/dbraw/zinc/52/25/23/560522523.db2.gz HAUPGFVRNFPKQY-OAHLLOKOSA-N 1 0 370.497 2.049 20 10 FECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000808226102 674447773 /nfs/dbraw/zinc/44/77/73/674447773.db2.gz GZNNQEXBSUJONV-AWEZNQCLSA-N 1 0 368.499 2.003 20 10 FECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1O ZINC000808694917 674468936 /nfs/dbraw/zinc/46/89/36/674468936.db2.gz CHJNURWWWOANFT-DOTOQJQBSA-N 1 0 367.921 2.411 20 10 FECDRO CCCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092558725 670742051 /nfs/dbraw/zinc/74/20/51/670742051.db2.gz YCCJUARTLDVSPM-UHFFFAOYSA-N 1 0 365.543 2.438 20 10 FECDRO COc1ccc(N2CCN(C(=O)NCC[N@H+](C)C(C)C)CC2)cc1F ZINC000125016942 672005400 /nfs/dbraw/zinc/00/54/00/672005400.db2.gz JIRWSRXATAZZMP-UHFFFAOYSA-N 1 0 352.454 2.006 20 10 FECDRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000129585498 672063954 /nfs/dbraw/zinc/06/39/54/672063954.db2.gz VXONNKMVCJDTSM-QGZVFWFLSA-N 1 0 362.543 2.333 20 10 FECDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000138287108 672143593 /nfs/dbraw/zinc/14/35/93/672143593.db2.gz IGNDRZQTRMDFET-LBPRGKRZSA-N 1 0 364.467 2.141 20 10 FECDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151462620 672163444 /nfs/dbraw/zinc/16/34/44/672163444.db2.gz WFJQSMPUXBHAKC-WBVHZDCISA-N 1 0 354.466 2.346 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000185161292 672521569 /nfs/dbraw/zinc/52/15/69/672521569.db2.gz YQAVSKNMCLTZNQ-AWEZNQCLSA-N 1 0 364.467 2.171 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000186166968 672542833 /nfs/dbraw/zinc/54/28/33/672542833.db2.gz QMPGXSCHBGBWNY-ZIAGYGMSSA-N 1 0 352.500 2.203 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCS[C@@H](C(C)C)C1)cc2=O ZINC000744423589 673795775 /nfs/dbraw/zinc/79/57/75/673795775.db2.gz KXBJLRWVSJASJO-CQSZACIVSA-N 1 0 364.471 2.185 20 10 FECDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966910 675247587 /nfs/dbraw/zinc/24/75/87/675247587.db2.gz PFZLKEABUOMQFS-ZOBUZTSGSA-N 1 0 354.466 2.316 20 10 FECDRO CON(C)C(=O)CC[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002403 675251569 /nfs/dbraw/zinc/25/15/69/675251569.db2.gz LCVQMUKHGTWNAF-UHFFFAOYSA-N 1 0 357.401 2.256 20 10 FECDRO C[C@@](O)(C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000819358580 675284950 /nfs/dbraw/zinc/28/49/50/675284950.db2.gz LNIMTDRGBOUGPI-CQSZACIVSA-N 1 0 354.319 2.204 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c1O ZINC000824708952 675617409 /nfs/dbraw/zinc/61/74/09/675617409.db2.gz LOOGCLAVQGDDLO-IINYFYTJSA-N 1 0 360.248 2.304 20 10 FECDRO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(Br)cc1O ZINC000825384854 675649903 /nfs/dbraw/zinc/64/99/03/675649903.db2.gz KHEBSJUXSOGPHS-AWEZNQCLSA-N 1 0 373.291 2.422 20 10 FECDRO Cc1cc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1Cl ZINC000825685441 675663649 /nfs/dbraw/zinc/66/36/49/675663649.db2.gz BYXPWMKBGUVCLM-UHFFFAOYSA-N 1 0 369.870 2.410 20 10 FECDRO CCN(CC)c1ccc(CN(CC[NH+](C)C)CC(=O)N(C)C)cc1F ZINC000827157998 675734657 /nfs/dbraw/zinc/73/46/57/675734657.db2.gz LOHLOBIOTVOFLQ-UHFFFAOYSA-N 1 0 352.498 2.124 20 10 FECDRO Cc1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000827348686 675750049 /nfs/dbraw/zinc/75/00/49/675750049.db2.gz CWVZTKPIEVKEPM-UHFFFAOYSA-N 1 0 365.543 2.453 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc2F)C[C@H](C)O1 ZINC000827365414 675751128 /nfs/dbraw/zinc/75/11/28/675751128.db2.gz RQMDJQUIKJUXSQ-WDMOLILDSA-N 1 0 359.392 2.038 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc2F)C[C@H](C)O1 ZINC000827365413 675751159 /nfs/dbraw/zinc/75/11/59/675751159.db2.gz RQMDJQUIKJUXSQ-UHIISALHSA-N 1 0 359.392 2.038 20 10 FECDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000827662619 675771479 /nfs/dbraw/zinc/77/14/79/675771479.db2.gz SNEJBJWZBKRYGM-QFBILLFUSA-N 1 0 366.527 2.093 20 10 FECDRO O=C(C[C@H]1CC[NH2+]C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828357783 675815373 /nfs/dbraw/zinc/81/53/73/675815373.db2.gz DPEDKUTXDKLQPZ-CYBMUJFWSA-N 1 0 353.413 2.373 20 10 FECDRO CCN(C)c1ccc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1 ZINC000830461674 677040991 /nfs/dbraw/zinc/04/09/91/677040991.db2.gz CTSHYFSSIIGTDQ-QGZVFWFLSA-N 1 0 351.491 2.460 20 10 FECDRO [NH3+][C@@H](CC(F)F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665330 677053365 /nfs/dbraw/zinc/05/33/65/677053365.db2.gz UNLIRPWCCSHWCD-GWCFXTLKSA-N 1 0 363.355 2.356 20 10 FECDRO [NH3+][C@@H](CC(F)F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665332 677053437 /nfs/dbraw/zinc/05/34/37/677053437.db2.gz UNLIRPWCCSHWCD-MFKMUULPSA-N 1 0 363.355 2.356 20 10 FECDRO CCN(C)c1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000839622959 680767537 /nfs/dbraw/zinc/76/75/37/680767537.db2.gz WKTOWHGGSNBDAG-UHFFFAOYSA-N 1 0 351.516 2.143 20 10 FECDRO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000763996648 680797489 /nfs/dbraw/zinc/79/74/89/680797489.db2.gz FNVCRLIMAFCSFX-YJBOKZPZSA-N 1 0 363.527 2.138 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000764750471 680820167 /nfs/dbraw/zinc/82/01/67/680820167.db2.gz KMASAEJJMKHWLC-KBPBESRZSA-N 1 0 372.918 2.262 20 10 FECDRO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)CC[N@@H+]1C ZINC000764791054 680821396 /nfs/dbraw/zinc/82/13/96/680821396.db2.gz MBHWPGUTHXKIIR-PWSUYJOCSA-N 1 0 356.264 2.437 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(Cl)c1 ZINC000840902714 680851497 /nfs/dbraw/zinc/85/14/97/680851497.db2.gz SJVOHUGFLDDGEQ-GTNSWQLSSA-N 1 0 351.834 2.164 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(Cl)c1 ZINC000840946635 680855662 /nfs/dbraw/zinc/85/56/62/680855662.db2.gz DASVZFGMALVSSD-APPDUMDISA-N 1 0 351.834 2.307 20 10 FECDRO CCS(=O)(=O)CCC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000840973005 680858174 /nfs/dbraw/zinc/85/81/74/680858174.db2.gz ARQPPAGMECZVGP-UHFFFAOYSA-N 1 0 350.278 2.378 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918949 680859344 /nfs/dbraw/zinc/85/93/44/680859344.db2.gz YOZPGLHAQRXTBU-WBVHZDCISA-N 1 0 366.937 2.073 20 10 FECDRO COc1cc(N2CCN(C[C@@H]([NH3+])CC(C)C)CC2)cc(OC)c1OC ZINC000841022249 680860325 /nfs/dbraw/zinc/86/03/25/680860325.db2.gz RARFYXJRJRISGM-HNNXBMFYSA-N 1 0 351.491 2.208 20 10 FECDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977889 680862072 /nfs/dbraw/zinc/86/20/72/680862072.db2.gz KDUDGFVEPAPQED-QGZVFWFLSA-N 1 0 354.516 2.072 20 10 FECDRO CC[C@H](C)NC(=S)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000749763318 680073298 /nfs/dbraw/zinc/07/32/98/680073298.db2.gz PJTCYSYGVXEYMZ-INIZCTEOSA-N 1 0 364.559 2.470 20 10 FECDRO CN(C)c1ccc(/C=C/C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000835030607 680287677 /nfs/dbraw/zinc/28/76/77/680287677.db2.gz ZTFTWHBEUNZCED-AATRIKPKSA-N 1 0 351.516 2.122 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000753732057 680311652 /nfs/dbraw/zinc/31/16/52/680311652.db2.gz OJSVREMFOWJCGZ-GOEBONIOSA-N 1 0 370.490 2.280 20 10 FECDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3ccsc3)CC2)cc1 ZINC000758210298 680562519 /nfs/dbraw/zinc/56/25/19/680562519.db2.gz PCXMWNZIIFOSET-GOSISDBHSA-N 1 0 361.511 2.029 20 10 FECDRO COC(=O)/C=C/c1ccc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000759278258 680639213 /nfs/dbraw/zinc/63/92/13/680639213.db2.gz MXYQKFRNNQZHRV-DODUIYEKSA-N 1 0 365.455 2.263 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C(F)F)CC1)cc2=O ZINC000767082494 680898404 /nfs/dbraw/zinc/89/84/04/680898404.db2.gz LOEWTLRGJYGDBC-UHFFFAOYSA-N 1 0 354.357 2.089 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000841765427 680910862 /nfs/dbraw/zinc/91/08/62/680910862.db2.gz YBPQISLOMXNDNM-GOEBONIOSA-N 1 0 353.894 2.103 20 10 FECDRO Cc1cc(Br)cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1O ZINC000841891828 680916465 /nfs/dbraw/zinc/91/64/65/680916465.db2.gz PSFPVVYRNONGTB-OLZOCXBDSA-N 1 0 357.292 2.350 20 10 FECDRO COc1ccc(N2CCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC2)cc1F ZINC000841952442 680918773 /nfs/dbraw/zinc/91/87/73/680918773.db2.gz UGQUFRWXJIFIQI-AWEZNQCLSA-N 1 0 352.454 2.039 20 10 FECDRO CC1(CNC(=O)NCc2cc(Br)ccc2O)CC[NH2+]CC1 ZINC000841970349 680919426 /nfs/dbraw/zinc/91/94/26/680919426.db2.gz VNRYLXDCLQLJAI-UHFFFAOYSA-N 1 0 356.264 2.344 20 10 FECDRO C[C@@]1(CNC(=O)NCc2cc(Br)ccc2O)CCC[NH2+]C1 ZINC000841972462 680919573 /nfs/dbraw/zinc/91/95/73/680919573.db2.gz IETWBJJJBYOTAI-OAHLLOKOSA-N 1 0 356.264 2.344 20 10 FECDRO C[C@](O)(CO)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000842208786 680932613 /nfs/dbraw/zinc/93/26/13/680932613.db2.gz XCPGTXHQEAALJA-MRXNPFEDSA-N 1 0 357.292 2.272 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1F ZINC000842784063 680966155 /nfs/dbraw/zinc/96/61/55/680966155.db2.gz GEZCFOGGPSVXDY-KRWDZBQOSA-N 1 0 351.447 2.178 20 10 FECDRO Cc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1O ZINC000843119038 680988813 /nfs/dbraw/zinc/98/88/13/680988813.db2.gz UKYYSIUOHBNDSR-UHFFFAOYSA-N 1 0 361.877 2.428 20 10 FECDRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773064235 681123699 /nfs/dbraw/zinc/12/36/99/681123699.db2.gz FOIKHQNDOJIGNT-CQSZACIVSA-N 1 0 370.490 2.138 20 10 FECDRO CC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000846035531 681176103 /nfs/dbraw/zinc/17/61/03/681176103.db2.gz VIOGCQCEBDRMNP-WCQYABFASA-N 1 0 366.405 2.486 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000846111148 681184414 /nfs/dbraw/zinc/18/44/14/681184414.db2.gz RSUBOZYXFKVSQJ-HNNXBMFYSA-N 1 0 360.248 2.185 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000846182205 681196825 /nfs/dbraw/zinc/19/68/25/681196825.db2.gz AIMYHOCSTGJFFM-WBVHZDCISA-N 1 0 351.516 2.361 20 10 FECDRO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000775831812 681340241 /nfs/dbraw/zinc/34/02/41/681340241.db2.gz UYUUTGIRAIAWCN-AWEZNQCLSA-N 1 0 363.483 2.130 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000778187653 681584159 /nfs/dbraw/zinc/58/41/59/681584159.db2.gz BYYREHMLSMZNRH-LBPRGKRZSA-N 1 0 352.232 2.464 20 10 FECDRO CN1CCC[NH+]=C1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000849111181 681655561 /nfs/dbraw/zinc/65/55/61/681655561.db2.gz KHQDCFUUHWHKTM-UHFFFAOYSA-N 1 0 356.392 2.323 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913878258 685487446 /nfs/dbraw/zinc/48/74/46/685487446.db2.gz PBWGLWOWYARBGA-IBGZPJMESA-N 1 0 365.543 2.390 20 10 FECDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000780893836 681884401 /nfs/dbraw/zinc/88/44/01/681884401.db2.gz UCKFNUJNPDKDLF-AWEZNQCLSA-N 1 0 350.434 2.436 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CCc2ccccc2F)cc1 ZINC000850586204 681919415 /nfs/dbraw/zinc/91/94/15/681919415.db2.gz NRSXLEOHPJGAHR-GOSISDBHSA-N 1 0 365.474 2.054 20 10 FECDRO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000851657536 682102056 /nfs/dbraw/zinc/10/20/56/682102056.db2.gz FDONNNKCUAABJV-QWHCGFSZSA-N 1 0 356.417 2.164 20 10 FECDRO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000853248044 682398419 /nfs/dbraw/zinc/39/84/19/682398419.db2.gz KLIDVIVDJYLUEE-UHFFFAOYSA-N 1 0 357.857 2.265 20 10 FECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000792961924 682852227 /nfs/dbraw/zinc/85/22/27/682852227.db2.gz VWZSRXMMJQUMHV-UHFFFAOYSA-N 1 0 367.437 2.189 20 10 FECDRO COCCOC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC000858171247 682940328 /nfs/dbraw/zinc/94/03/28/682940328.db2.gz UIYQUUGBBVOHAS-UHFFFAOYSA-N 1 0 358.429 2.333 20 10 FECDRO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000858468008 682971155 /nfs/dbraw/zinc/97/11/55/682971155.db2.gz BHUKFMPOLVUTAU-DOPJRALCSA-N 1 0 354.878 2.367 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858520094 682976014 /nfs/dbraw/zinc/97/60/14/682976014.db2.gz CZHBFHFOPMBHAH-GOEBONIOSA-N 1 0 353.894 2.158 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858520093 682976180 /nfs/dbraw/zinc/97/61/80/682976180.db2.gz CZHBFHFOPMBHAH-GDBMZVCRSA-N 1 0 353.894 2.158 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2COCCN2C)c1O ZINC000858522896 682976508 /nfs/dbraw/zinc/97/65/08/682976508.db2.gz KYSUHZGLZGDLIR-JQWIXIFHSA-N 1 0 359.264 2.145 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)c1O ZINC000858580930 682981577 /nfs/dbraw/zinc/98/15/77/682981577.db2.gz ZXTSJFWSFQHCDI-BDAKNGLRSA-N 1 0 361.236 2.222 20 10 FECDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1F ZINC000858611180 682984755 /nfs/dbraw/zinc/98/47/55/682984755.db2.gz ILOMIGHHEYGLKC-CQSZACIVSA-N 1 0 369.437 2.318 20 10 FECDRO CN(C)c1cc(F)c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000862239331 683556692 /nfs/dbraw/zinc/55/66/92/683556692.db2.gz CACMSNPBDSCYBL-INIZCTEOSA-N 1 0 352.473 2.243 20 10 FECDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000863339692 683708393 /nfs/dbraw/zinc/70/83/93/683708393.db2.gz FPRGGTVKPGOMNP-AWEZNQCLSA-N 1 0 352.500 2.032 20 10 FECDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922950141 683810316 /nfs/dbraw/zinc/81/03/16/683810316.db2.gz CTTOOHPUFJECHA-OAHLLOKOSA-N 1 0 355.276 2.498 20 10 FECDRO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c(O)c1 ZINC000865741936 684021869 /nfs/dbraw/zinc/02/18/69/684021869.db2.gz MWIFZCLCFNWVLS-IAGOWNOFSA-N 1 0 368.499 2.274 20 10 FECDRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000866493266 684111339 /nfs/dbraw/zinc/11/13/39/684111339.db2.gz YVRLMNFDJYDZKR-OAGGEKHMSA-N 1 0 350.484 2.362 20 10 FECDRO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000925797253 684587565 /nfs/dbraw/zinc/58/75/65/684587565.db2.gz MURRHPAETAPDJY-VQIMIIECSA-N 1 0 365.543 2.104 20 10 FECDRO CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000872203162 684927263 /nfs/dbraw/zinc/92/72/63/684927263.db2.gz BRAYSNGWGZVTLK-DZGCQCFKSA-N 1 0 358.429 2.368 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c(Cl)nn(C)c2Cl)cc1 ZINC000876506435 686213612 /nfs/dbraw/zinc/21/36/12/686213612.db2.gz KFSIIWXZFLFBAG-NSHDSACASA-N 1 0 356.257 2.223 20 10 FECDRO COC[C@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCC[NH2+]1 ZINC000876731387 686255869 /nfs/dbraw/zinc/25/58/69/686255869.db2.gz QDYWFRQLAZWLHZ-IBGZPJMESA-N 1 0 363.527 2.015 20 10 FECDRO CN1CCCc2cc(C[NH2+]Cc3ccc(S(N)(=O)=O)s3)ccc21 ZINC000876986649 686305566 /nfs/dbraw/zinc/30/55/66/686305566.db2.gz HSDYVLMBZIHLEX-UHFFFAOYSA-N 1 0 351.497 2.068 20 10 FECDRO Cc1ccc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)c(O)c1 ZINC000877513401 686396890 /nfs/dbraw/zinc/39/68/90/686396890.db2.gz UVURRQXNCWPTND-UHFFFAOYSA-N 1 0 363.483 2.153 20 10 FECDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000877735454 686447132 /nfs/dbraw/zinc/44/71/32/686447132.db2.gz YGPBGDNXSYRLCV-UHFFFAOYSA-N 1 0 361.511 2.301 20 10 FECDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccns1 ZINC000883797599 687730304 /nfs/dbraw/zinc/73/03/04/687730304.db2.gz FNAOVVSNFMASDD-CQSZACIVSA-N 1 0 359.499 2.455 20 10 FECDRO CC[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(Cl)ccc1O ZINC000886698455 688292161 /nfs/dbraw/zinc/29/21/61/688292161.db2.gz FZXUIIZGVRMPIK-ZDUSSCGKSA-N 1 0 361.833 2.070 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)c2cn3ccnc3s2)[NH+](C)C)cc1 ZINC000891247579 689039463 /nfs/dbraw/zinc/03/94/63/689039463.db2.gz IGNMUQWBOCQRHG-HNNXBMFYSA-N 1 0 357.483 2.495 20 10 FECDRO COCc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891250187 689039861 /nfs/dbraw/zinc/03/98/61/689039861.db2.gz VENNFMOCQXQKPT-OAHLLOKOSA-N 1 0 362.499 2.388 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccn(C(F)F)n2)[NH+](C)C)cc1 ZINC000891249646 689039962 /nfs/dbraw/zinc/03/99/62/689039962.db2.gz VHZHJKNUVQWKRN-OAHLLOKOSA-N 1 0 351.401 2.377 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CSCCS2)[NH+](C)C)cc1 ZINC000891252661 689040424 /nfs/dbraw/zinc/04/04/24/689040424.db2.gz LXNSQMTYNRNWGX-HOTGVXAUSA-N 1 0 353.557 2.320 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)CSc2nncs2)[NH+](C)C)cc1 ZINC000891256291 689040806 /nfs/dbraw/zinc/04/08/06/689040806.db2.gz XCVHJQKUKIQGDF-CQSZACIVSA-N 1 0 365.528 2.115 20 10 FECDRO C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000892030571 689142895 /nfs/dbraw/zinc/14/28/95/689142895.db2.gz AZKWCJLXLFMURJ-MRXNPFEDSA-N 1 0 362.543 2.381 20 10 FECDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c(O)c1OC ZINC000893161683 689306283 /nfs/dbraw/zinc/30/62/83/689306283.db2.gz XLGSNTFFEIASIH-CVEARBPZSA-N 1 0 350.459 2.142 20 10 FECDRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc(N3CCSCC3)cc2)C1(F)F ZINC000894191960 689483750 /nfs/dbraw/zinc/48/37/50/689483750.db2.gz SYKIMPYQHOJNCO-CABCVRRESA-N 1 0 356.438 2.384 20 10 FECDRO COc1cc(C)cc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000894896565 689615477 /nfs/dbraw/zinc/61/54/77/689615477.db2.gz YIJKXPGLLRJRSJ-UHFFFAOYSA-N 1 0 364.467 2.249 20 10 FECDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897421501 690021087 /nfs/dbraw/zinc/02/10/87/690021087.db2.gz GVEFWYYUZMWGPG-LBPRGKRZSA-N 1 0 363.483 2.068 20 10 FECDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)N(C)C)cc1 ZINC000898450905 690185784 /nfs/dbraw/zinc/18/57/84/690185784.db2.gz VKMQGWUATHDQQT-WDSOQIARSA-N 1 0 367.559 2.301 20 10 FECDRO CC[C@@H](CCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102842 690304419 /nfs/dbraw/zinc/30/44/19/690304419.db2.gz SLWJUDAZFRSSHD-YJBOKZPZSA-N 1 0 350.507 2.063 20 10 FECDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000902801581 690809154 /nfs/dbraw/zinc/80/91/54/690809154.db2.gz BPALTEVOAZPXQC-HKUYNNGSSA-N 1 0 366.527 2.359 20 10 FECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1O ZINC000903225242 690869376 /nfs/dbraw/zinc/86/93/76/690869376.db2.gz GHFYQCSWVDLDQO-SNVBAGLBSA-N 1 0 368.908 2.062 20 10 FECDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)CCC(F)(F)F)[NH+](C)C)cc1 ZINC000908460273 691683814 /nfs/dbraw/zinc/68/38/14/691683814.db2.gz RCGQGSSYUOWYKH-CQSZACIVSA-N 1 0 367.437 2.227 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000359958537 210201511 /nfs/dbraw/zinc/20/15/11/210201511.db2.gz KGTFPYFJGZQRQS-YLJYHZDGSA-N 1 0 373.541 2.328 20 10 FECDRO C[C@@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1ccc(N(C)C)cc1 ZINC000090052436 542781295 /nfs/dbraw/zinc/78/12/95/542781295.db2.gz BEZZOEHNDJLXOK-OAHLLOKOSA-N 1 0 353.470 2.498 20 10 FECDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090663636 542787761 /nfs/dbraw/zinc/78/77/61/542787761.db2.gz CXROBRMEBKODIA-HNNXBMFYSA-N 1 0 352.450 2.102 20 10 FECDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000093011539 542901481 /nfs/dbraw/zinc/90/14/81/542901481.db2.gz MBLSPWOMIBNLFP-NRFANRHFSA-N 1 0 359.514 2.210 20 10 FECDRO NC(=O)C1CCN(c2ncccc2C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113335319 543484494 /nfs/dbraw/zinc/48/44/94/543484494.db2.gz RMUANKHQQQWOTI-UHFFFAOYSA-N 1 0 374.872 2.432 20 10 FECDRO C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)O1 ZINC000125226237 543868416 /nfs/dbraw/zinc/86/84/16/543868416.db2.gz XQZBTQQMCZVZTL-ROUUACIJSA-N 1 0 372.513 2.361 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127761405 544012205 /nfs/dbraw/zinc/01/22/05/544012205.db2.gz JJUNMFOOIYEPKW-MUPIXQSSSA-N 1 0 369.509 2.481 20 10 FECDRO CC[C@H](C)OCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000127272950 543981956 /nfs/dbraw/zinc/98/19/56/543981956.db2.gz FZDLOKWUBQTKLR-HNNXBMFYSA-N 1 0 351.466 2.399 20 10 FECDRO O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1C[C@H]1c1cccnc1 ZINC000131352467 544187029 /nfs/dbraw/zinc/18/70/29/544187029.db2.gz MEUQZOCNFZUCLL-IRXDYDNUSA-N 1 0 354.429 2.050 20 10 FECDRO Cc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(C)n1-c1ccccn1 ZINC000131641863 544199608 /nfs/dbraw/zinc/19/96/08/544199608.db2.gz TUIWJRILLJIUHV-GOSISDBHSA-N 1 0 370.497 2.456 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000132265652 544225116 /nfs/dbraw/zinc/22/51/16/544225116.db2.gz GAJQDYKMYPNONU-QFIPXVFZSA-N 1 0 367.493 2.135 20 10 FECDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000134370812 544305126 /nfs/dbraw/zinc/30/51/26/544305126.db2.gz LQHLTYFVVWONRP-WOJBJXKFSA-N 1 0 374.529 2.320 20 10 FECDRO O=C(C[NH+]1C[C@@H]2CCC[C@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000152974489 544718547 /nfs/dbraw/zinc/71/85/47/544718547.db2.gz ONDXGOKWONEFGI-IRXDYDNUSA-N 1 0 361.461 2.010 20 10 FECDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000162404980 546139108 /nfs/dbraw/zinc/13/91/08/546139108.db2.gz DXWRHRLVXCOHTP-YJBOKZPZSA-N 1 0 363.477 2.447 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cnccn3)CC2)cc1 ZINC000162809898 546141828 /nfs/dbraw/zinc/14/18/28/546141828.db2.gz OFRWUBNPHOKJKR-KRWDZBQOSA-N 1 0 355.486 2.348 20 10 FECDRO CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000177037269 546528796 /nfs/dbraw/zinc/52/87/96/546528796.db2.gz WXRHSJBYHLEWOJ-UHFFFAOYSA-N 1 0 361.364 2.382 20 10 FECDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000179882571 547024094 /nfs/dbraw/zinc/02/40/94/547024094.db2.gz LRRVIRRGFXQANZ-LBPRGKRZSA-N 1 0 350.440 2.241 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1OC ZINC000180280066 547078424 /nfs/dbraw/zinc/07/84/24/547078424.db2.gz BLTAIKQIZAMHDY-GOSISDBHSA-N 1 0 361.442 2.089 20 10 FECDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000180772309 547176960 /nfs/dbraw/zinc/17/69/60/547176960.db2.gz OJDSPCWZUSWMBT-FNORWQNLSA-N 1 0 360.454 2.262 20 10 FECDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000192099423 548358066 /nfs/dbraw/zinc/35/80/66/548358066.db2.gz LOZQMZYUIWKHIG-RYUDHWBXSA-N 1 0 359.392 2.142 20 10 FECDRO C[C@@H]([NH3+])CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000193301593 548383800 /nfs/dbraw/zinc/38/38/00/548383800.db2.gz DFLVJRUHDDPSOR-GFCCVEGCSA-N 1 0 359.392 2.286 20 10 FECDRO CCOc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c1O ZINC000236931520 548789055 /nfs/dbraw/zinc/78/90/55/548789055.db2.gz WWFPROHYDPJGTL-UHFFFAOYSA-N 1 0 364.467 2.167 20 10 FECDRO C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]C1 ZINC000237606750 548838790 /nfs/dbraw/zinc/83/87/90/548838790.db2.gz CEWZIPMWYXXRID-FZKQIMNGSA-N 1 0 353.413 2.373 20 10 FECDRO O=C(CCN1CCOCC1)Nc1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000238107699 548878867 /nfs/dbraw/zinc/87/88/67/548878867.db2.gz VNYYGEQNIHAPDY-UHFFFAOYSA-N 1 0 369.465 2.343 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)n3cccn3)cc2F)CC1 ZINC000264484386 549996717 /nfs/dbraw/zinc/99/67/17/549996717.db2.gz JFAXWCKIAMGSPZ-HNNXBMFYSA-N 1 0 359.449 2.042 20 10 FECDRO COCc1ccc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000268775538 550114753 /nfs/dbraw/zinc/11/47/53/550114753.db2.gz GVWVHLGHJYQVGK-UHFFFAOYSA-N 1 0 359.470 2.346 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000268789592 550116271 /nfs/dbraw/zinc/11/62/71/550116271.db2.gz BLDSBADOHBEUDO-BBTUJRGHSA-N 1 0 360.546 2.136 20 10 FECDRO CC[C@@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000268820082 550120020 /nfs/dbraw/zinc/12/00/20/550120020.db2.gz LORGQBFHKMMKBJ-HXUWFJFHSA-N 1 0 357.502 2.292 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000271745941 550399285 /nfs/dbraw/zinc/39/92/85/550399285.db2.gz QWYNMICSSAPROD-LBPRGKRZSA-N 1 0 351.447 2.390 20 10 FECDRO COc1cccc(CN(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000272987637 550479567 /nfs/dbraw/zinc/47/95/67/550479567.db2.gz YWVKANFUUKVRER-CYBMUJFWSA-N 1 0 366.458 2.069 20 10 FECDRO C[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000273044364 550482234 /nfs/dbraw/zinc/48/22/34/550482234.db2.gz WQWXTUIPACLCLY-ZGRWHYIRSA-N 1 0 355.482 2.303 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC([C@@H]3CCCO3)CC1)cc2=O ZINC000275805256 550574521 /nfs/dbraw/zinc/57/45/21/550574521.db2.gz GYTQPVIAGYJJDP-INIZCTEOSA-N 1 0 374.441 2.003 20 10 FECDRO CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000276561449 550578976 /nfs/dbraw/zinc/57/89/76/550578976.db2.gz LQPRKSSAWMFGNP-UHFFFAOYSA-N 1 0 374.529 2.444 20 10 FECDRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000276720580 550588964 /nfs/dbraw/zinc/58/89/64/550588964.db2.gz SFZXVPMRDMOYTB-UHFFFAOYSA-N 1 0 355.843 2.101 20 10 FECDRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000277078837 550629329 /nfs/dbraw/zinc/62/93/29/550629329.db2.gz AFGLCTKUIQWKEN-QPGLYAHGSA-N 1 0 357.498 2.479 20 10 FECDRO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C)cc1O ZINC000280106507 550961578 /nfs/dbraw/zinc/96/15/78/550961578.db2.gz NLUMAQPHXSJHER-RDJZCZTQSA-N 1 0 370.515 2.230 20 10 FECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)cc1 ZINC000280923766 551045835 /nfs/dbraw/zinc/04/58/35/551045835.db2.gz HOKZFEJVAVXWOZ-GJZGRUSLSA-N 1 0 355.486 2.351 20 10 FECDRO C[N@@H+]1CCN(CCNC(=O)NCc2c(O)ccc3c2CCCC3)CC1(C)C ZINC000282046678 551173837 /nfs/dbraw/zinc/17/38/37/551173837.db2.gz BKKRJQMOWGTLDC-UHFFFAOYSA-N 1 0 374.529 2.096 20 10 FECDRO COc1cc([N+](=O)[O-])c(N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000282142308 551186297 /nfs/dbraw/zinc/18/62/97/551186297.db2.gz AZZPOGGGRFSFER-CQSZACIVSA-N 1 0 365.430 2.161 20 10 FECDRO CCCC[N@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1ccccc1O ZINC000282547447 551245209 /nfs/dbraw/zinc/24/52/09/551245209.db2.gz WSDLUFXHFKSNEH-GOSISDBHSA-N 1 0 361.486 2.121 20 10 FECDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284753893 551624917 /nfs/dbraw/zinc/62/49/17/551624917.db2.gz LPEKFVRCGFHCBZ-LJQANCHMSA-N 1 0 374.529 2.092 20 10 FECDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284753892 551624953 /nfs/dbraw/zinc/62/49/53/551624953.db2.gz LPEKFVRCGFHCBZ-IBGZPJMESA-N 1 0 374.529 2.092 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(=O)[nH]n1 ZINC000285856064 551819377 /nfs/dbraw/zinc/81/93/77/551819377.db2.gz YEIPLLFLLFIYSU-MCIONIFRSA-N 1 0 360.433 2.373 20 10 FECDRO C[C@H](CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000290283537 552453744 /nfs/dbraw/zinc/45/37/44/552453744.db2.gz BAWVDOFCJGSQPX-QGZVFWFLSA-N 1 0 374.529 2.092 20 10 FECDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000295139980 552962556 /nfs/dbraw/zinc/96/25/56/552962556.db2.gz ZKTXXHYXQDUCLI-OAHLLOKOSA-N 1 0 358.232 2.166 20 10 FECDRO O=C([C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000296548105 553177912 /nfs/dbraw/zinc/17/79/12/553177912.db2.gz SRVNDKITTQBRNX-RBUKOAKNSA-N 1 0 366.461 2.439 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CC[N@H+](C)CC23CCCCC3)cc1 ZINC000299449923 553564916 /nfs/dbraw/zinc/56/49/16/553564916.db2.gz ZADSDLNBZJTZGZ-UHFFFAOYSA-N 1 0 358.530 2.319 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360078413 554862153 /nfs/dbraw/zinc/86/21/53/554862153.db2.gz HXILEPZRDVBMTN-NVXWUHKLSA-N 1 0 373.476 2.325 20 10 FECDRO O=C1[C@H]([N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473060 555114232 /nfs/dbraw/zinc/11/42/32/555114232.db2.gz XTWLQQCXANBEQQ-RBUKOAKNSA-N 1 0 374.481 2.153 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000363787382 555186243 /nfs/dbraw/zinc/18/62/43/555186243.db2.gz UTOVILJULZXAIN-WMZOPIPTSA-N 1 0 369.513 2.311 20 10 FECDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)cc1F ZINC000364112663 555251836 /nfs/dbraw/zinc/25/18/36/555251836.db2.gz VFEVULQNYZZPJC-CVEARBPZSA-N 1 0 361.461 2.357 20 10 FECDRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000364734123 555388803 /nfs/dbraw/zinc/38/88/03/555388803.db2.gz JDKVFJOOYDLNGM-DBXWQHBBSA-N 1 0 357.498 2.436 20 10 FECDRO CN(C)c1ccc(CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000365146741 555494923 /nfs/dbraw/zinc/49/49/23/555494923.db2.gz OIQCGUVYWVDTGY-VQTJNVASSA-N 1 0 372.513 2.290 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365533970 555601322 /nfs/dbraw/zinc/60/13/22/555601322.db2.gz DIXYUGKGPOHGGC-GIVPXCGWSA-N 1 0 370.541 2.127 20 10 FECDRO COc1cccc(CNC(=O)C2CC[NH+](Cc3cccnc3)CC2)c1O ZINC000365544272 555604619 /nfs/dbraw/zinc/60/46/19/555604619.db2.gz FPJYNJAQEBOJOL-UHFFFAOYSA-N 1 0 355.438 2.324 20 10 FECDRO COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000367543506 556078381 /nfs/dbraw/zinc/07/83/81/556078381.db2.gz CJNJHZDJUKBQDK-ZWKOTPCHSA-N 1 0 360.454 2.322 20 10 FECDRO Nc1nccc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000367656606 556106395 /nfs/dbraw/zinc/10/63/95/556106395.db2.gz DKZWLUKHRUJODC-KRWDZBQOSA-N 1 0 353.470 2.275 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000368335652 556280964 /nfs/dbraw/zinc/28/09/64/556280964.db2.gz ZLCBJGDOYCHFCA-HNNXBMFYSA-N 1 0 361.486 2.138 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(C(=O)Cc3ccccc3)C2)cc1OC ZINC000368488741 556324853 /nfs/dbraw/zinc/32/48/53/556324853.db2.gz SRHIZNGLOHUTIF-QGZVFWFLSA-N 1 0 370.449 2.343 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369050586 556489089 /nfs/dbraw/zinc/48/90/89/556489089.db2.gz IVVISHZWPMGLJX-RTBURBONSA-N 1 0 360.502 2.147 20 10 FECDRO CN1C(=O)C[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccccc1 ZINC000369527785 556621439 /nfs/dbraw/zinc/62/14/39/556621439.db2.gz OTBVIBUNYAQRCP-YWZLYKJASA-N 1 0 354.406 2.430 20 10 FECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000370613255 556921926 /nfs/dbraw/zinc/92/19/26/556921926.db2.gz YAYLZTSLXNTZFQ-QUCCMNQESA-N 1 0 360.546 2.200 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)cc1 ZINC000371222460 557111492 /nfs/dbraw/zinc/11/14/92/557111492.db2.gz GCEAARSCAAQVSO-KRWDZBQOSA-N 1 0 365.485 2.197 20 10 FECDRO c1nnc2c(N3CCC[C@H](C[NH2+]Cc4ccc5c(c4)CCO5)C3)nccn12 ZINC000372105400 557381009 /nfs/dbraw/zinc/38/10/09/557381009.db2.gz LBGVFRKRGLXSNY-MRXNPFEDSA-N 1 0 364.453 2.065 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC ZINC000373216718 557651797 /nfs/dbraw/zinc/65/17/97/557651797.db2.gz BKGPOPBQOJKBRZ-UHFFFAOYSA-N 1 0 362.386 2.351 20 10 FECDRO CCOC(=O)C1(COC)CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000373490630 557703377 /nfs/dbraw/zinc/70/33/77/557703377.db2.gz QQPAXNZBCQPESC-UHFFFAOYSA-N 1 0 367.442 2.201 20 10 FECDRO O[C@H]1[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC12CCOCC2 ZINC000374685516 557916716 /nfs/dbraw/zinc/91/67/16/557916716.db2.gz DVBBPOQPVPAZKL-QUCCMNQESA-N 1 0 360.498 2.181 20 10 FECDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000374847872 557940188 /nfs/dbraw/zinc/94/01/88/557940188.db2.gz TVYLLRFOXWAACQ-LBPRGKRZSA-N 1 0 358.398 2.182 20 10 FECDRO COc1cc(Cl)cc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000375202377 557991116 /nfs/dbraw/zinc/99/11/16/557991116.db2.gz QIPNCYXENDBEMS-MRXNPFEDSA-N 1 0 353.894 2.266 20 10 FECDRO COc1cccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1O ZINC000375569165 558050088 /nfs/dbraw/zinc/05/00/88/558050088.db2.gz GVDIXAWDOIJTSH-CQSZACIVSA-N 1 0 372.469 2.088 20 10 FECDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471866630 561013295 /nfs/dbraw/zinc/01/32/95/561013295.db2.gz VXZYZMIBTRKYAN-INIZCTEOSA-N 1 0 358.486 2.397 20 10 FECDRO CC[C@@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC[N@@H+]1C[C@@H](C)O ZINC000472219561 561021372 /nfs/dbraw/zinc/02/13/72/561021372.db2.gz GWBPMLUOSREULB-NVXWUHKLSA-N 1 0 372.513 2.473 20 10 FECDRO Cn1cncc1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108070 674405292 /nfs/dbraw/zinc/40/52/92/674405292.db2.gz QUIMGIAVVFFWIZ-OAHLLOKOSA-N 1 0 362.861 2.102 20 10 FECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000808227193 674448019 /nfs/dbraw/zinc/44/80/19/674448019.db2.gz VGRNBYSZPGDCBW-OAHLLOKOSA-N 1 0 352.500 2.303 20 10 FECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c1O ZINC000808700000 674469090 /nfs/dbraw/zinc/46/90/90/674469090.db2.gz ATXUZHHZIBEXMY-LLVKDONJSA-N 1 0 373.862 2.112 20 10 FECDRO CN(C)C(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)[nH]1 ZINC000809713658 674506789 /nfs/dbraw/zinc/50/67/89/674506789.db2.gz WPLRIVOFJYXUOD-UHFFFAOYSA-N 1 0 352.232 2.474 20 10 FECDRO Cc1cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)ccc1N(C)C ZINC000815020871 674899189 /nfs/dbraw/zinc/89/91/89/674899189.db2.gz JNVCUERBOMWLOJ-KRWDZBQOSA-N 1 0 353.532 2.355 20 10 FECDRO C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000048795393 670273481 /nfs/dbraw/zinc/27/34/81/670273481.db2.gz HYTAKZWIBZTPNP-UHFFFAOYSA-N 1 0 356.308 2.270 20 10 FECDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc(Br)cc(OC)c1O ZINC000092382140 670738543 /nfs/dbraw/zinc/73/85/43/670738543.db2.gz DWPAQCFPFCCJFC-UHFFFAOYSA-N 1 0 359.264 2.464 20 10 FECDRO CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111232970 670855728 /nfs/dbraw/zinc/85/57/28/670855728.db2.gz AACKHFDTCXAUTL-AWEZNQCLSA-N 1 0 360.376 2.394 20 10 FECDRO C[N@H+](CC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCSC1 ZINC000136585124 672139268 /nfs/dbraw/zinc/13/92/68/672139268.db2.gz OLYZFMZZUZLFDH-KRWDZBQOSA-N 1 0 365.568 2.293 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H](C)SC)CC2)cc1 ZINC000156279058 672244149 /nfs/dbraw/zinc/24/41/49/672244149.db2.gz SVUVBYVSCYTCDK-INIZCTEOSA-N 1 0 365.543 2.465 20 10 FECDRO CC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000159946565 672286896 /nfs/dbraw/zinc/28/68/96/672286896.db2.gz MWLPCDNTKXZGBM-IBGZPJMESA-N 1 0 367.559 2.302 20 10 FECDRO COc1cc(Br)cc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1O ZINC000162586329 672305227 /nfs/dbraw/zinc/30/52/27/672305227.db2.gz WFDYMASYANSESO-UHFFFAOYSA-N 1 0 371.275 2.464 20 10 FECDRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000184964216 672513852 /nfs/dbraw/zinc/51/38/52/672513852.db2.gz IJJVJWMSDCECKF-CYBMUJFWSA-N 1 0 352.500 2.346 20 10 FECDRO COc1ccc(N2CCC(NC(=O)c3csc(CC[NH3+])n3)CC2)cc1 ZINC000194833717 672769492 /nfs/dbraw/zinc/76/94/92/672769492.db2.gz RELCMLGMSMJAAA-UHFFFAOYSA-N 1 0 360.483 2.052 20 10 FECDRO CCS(=O)(=O)CC[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120084 675262404 /nfs/dbraw/zinc/26/24/04/675262404.db2.gz KHRFRSGEDPEKSW-ZDUSSCGKSA-N 1 0 362.442 2.281 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCCN2CCCO)c1O ZINC000824559834 675610253 /nfs/dbraw/zinc/61/02/53/675610253.db2.gz ZWSYZYZPIFTWTN-CQSZACIVSA-N 1 0 373.291 2.100 20 10 FECDRO CC[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000824608784 675613176 /nfs/dbraw/zinc/61/31/76/675613176.db2.gz QPSZXLBWKNQXTK-GXTWGEPZSA-N 1 0 367.389 2.001 20 10 FECDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000824926780 675629151 /nfs/dbraw/zinc/62/91/51/675629151.db2.gz TTZGFGHLDSSFEC-BETUJISGSA-N 1 0 357.292 2.350 20 10 FECDRO COc1cc(Br)cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c1O ZINC000825130484 675638305 /nfs/dbraw/zinc/63/83/05/675638305.db2.gz YWBYGDXRJCEXIK-GWCFXTLKSA-N 1 0 360.248 2.135 20 10 FECDRO CC(C)[NH2+]CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000827364008 675751011 /nfs/dbraw/zinc/75/10/11/675751011.db2.gz CQLXVRQFEGIRMY-GASCZTMLSA-N 1 0 351.466 2.444 20 10 FECDRO Cc1cc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827842869 675782825 /nfs/dbraw/zinc/78/28/25/675782825.db2.gz COZQUDOZBKLBLL-QGZVFWFLSA-N 1 0 351.516 2.109 20 10 FECDRO C[C@@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC[NH2+]C1 ZINC000828358797 675815264 /nfs/dbraw/zinc/81/52/64/675815264.db2.gz NFDGFCYWULMYDI-GOSISDBHSA-N 1 0 353.413 2.373 20 10 FECDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828610672 675833715 /nfs/dbraw/zinc/83/37/15/675833715.db2.gz STSLBPGGSAUCOB-SFHVURJKSA-N 1 0 365.543 2.499 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000761123398 680711789 /nfs/dbraw/zinc/71/17/89/680711789.db2.gz ILEYGKQZBAEPMS-CABCVRRESA-N 1 0 363.845 2.437 20 10 FECDRO NC(=O)c1csc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000839146778 680741670 /nfs/dbraw/zinc/74/16/70/680741670.db2.gz UXQRHCRVKDKFLJ-UHFFFAOYSA-N 1 0 367.421 2.252 20 10 FECDRO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000840106315 680798869 /nfs/dbraw/zinc/79/88/69/680798869.db2.gz TUQCNNZEZMXNPC-VWLOTQADSA-N 1 0 365.495 2.157 20 10 FECDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765899882 680859028 /nfs/dbraw/zinc/85/90/28/680859028.db2.gz OGWPICIVWZHNIX-JKSUJKDBSA-N 1 0 352.450 2.366 20 10 FECDRO CC[N@H+](CCSC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000830993783 679906095 /nfs/dbraw/zinc/90/60/95/679906095.db2.gz DITJUVLKEZRGGC-UHFFFAOYSA-N 1 0 351.516 2.029 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000835052838 680291337 /nfs/dbraw/zinc/29/13/37/680291337.db2.gz HWNRFORQZZHOOI-MJRGOJFPSA-N 1 0 351.516 2.170 20 10 FECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000835051702 680291541 /nfs/dbraw/zinc/29/15/41/680291541.db2.gz GWGXDDYVBLVWJZ-FZMUQLTDSA-N 1 0 365.543 2.369 20 10 FECDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000837464473 680607162 /nfs/dbraw/zinc/60/71/62/680607162.db2.gz CQYUSTXLHNNJMO-AWEZNQCLSA-N 1 0 370.471 2.183 20 10 FECDRO CC(C)([NH3+])CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782580 680912184 /nfs/dbraw/zinc/91/21/84/680912184.db2.gz OCJQLKUWNPNKNT-UHFFFAOYSA-N 1 0 356.417 2.293 20 10 FECDRO CC[NH2+]CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843381 680914334 /nfs/dbraw/zinc/91/43/34/680914334.db2.gz GGKDMYGRTNPHTJ-ZDUSSCGKSA-N 1 0 356.417 2.166 20 10 FECDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000841947243 680918424 /nfs/dbraw/zinc/91/84/24/680918424.db2.gz DLQWAGOEVBKUIA-MFKMUULPSA-N 1 0 356.264 2.471 20 10 FECDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000842225085 680933731 /nfs/dbraw/zinc/93/37/31/680933731.db2.gz HDMGRGYGAWYTIJ-YJBOKZPZSA-N 1 0 351.447 2.197 20 10 FECDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(O)c1 ZINC000768438256 680947065 /nfs/dbraw/zinc/94/70/65/680947065.db2.gz QQONLXGESODEMG-HNNXBMFYSA-N 1 0 356.488 2.085 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842722574 680962311 /nfs/dbraw/zinc/96/23/11/680962311.db2.gz RLPJJLPZNQDCMF-OAHLLOKOSA-N 1 0 363.435 2.115 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000842785231 680966344 /nfs/dbraw/zinc/96/63/44/680966344.db2.gz FOQFFXVPCCFWID-HNNXBMFYSA-N 1 0 355.410 2.009 20 10 FECDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769007509 680967781 /nfs/dbraw/zinc/96/77/81/680967781.db2.gz UOODLKVOOOFTTQ-GOEBONIOSA-N 1 0 351.466 2.255 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(F)cn1 ZINC000771391564 681053767 /nfs/dbraw/zinc/05/37/67/681053767.db2.gz RVJXNWTUTRCVHE-AWEZNQCLSA-N 1 0 363.458 2.306 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)COC2CC[NH+](C)CC2)cc1F ZINC000932383479 681239017 /nfs/dbraw/zinc/23/90/17/681239017.db2.gz DUJIOEIAGBVJPO-UHFFFAOYSA-N 1 0 351.466 2.399 20 10 FECDRO CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000775696753 681324670 /nfs/dbraw/zinc/32/46/70/681324670.db2.gz NUBGZNSFVROPLH-KRWDZBQOSA-N 1 0 367.559 2.084 20 10 FECDRO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000775831813 681340198 /nfs/dbraw/zinc/34/01/98/681340198.db2.gz UYUUTGIRAIAWCN-CQSZACIVSA-N 1 0 363.483 2.130 20 10 FECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1(C)C ZINC000776158754 681368726 /nfs/dbraw/zinc/36/87/26/681368726.db2.gz VMLXGHSGCZLWCM-QZTJIDSGSA-N 1 0 366.527 2.215 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cn2cncn2)c1O ZINC000848525272 681571075 /nfs/dbraw/zinc/57/10/75/681571075.db2.gz LCASKVFTUQNQHX-ZJUUUORDSA-N 1 0 355.236 2.494 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1O ZINC000848528207 681571883 /nfs/dbraw/zinc/57/18/83/681571883.db2.gz KJWGFHLBPQAQEZ-YPMHNXCESA-N 1 0 372.307 2.060 20 10 FECDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1 ZINC000848531165 681572805 /nfs/dbraw/zinc/57/28/05/681572805.db2.gz ODRYUAMIZWILLN-GOEBONIOSA-N 1 0 354.541 2.295 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CC23CCC(CC2)C3)cc1 ZINC000850585920 681918833 /nfs/dbraw/zinc/91/88/33/681918833.db2.gz FBLXCSAAIMVKPM-GMXGEUMGSA-N 1 0 351.516 2.252 20 10 FECDRO CC(C)[C@H](NCC(F)(F)F)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792526 682343750 /nfs/dbraw/zinc/34/37/50/682343750.db2.gz YBTOYRBWJQQPSN-GJZGRUSLSA-N 1 0 360.424 2.045 20 10 FECDRO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229899 682641504 /nfs/dbraw/zinc/64/15/04/682641504.db2.gz CRIJBBCFLCKXAA-INIZCTEOSA-N 1 0 365.543 2.465 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000793166809 682868860 /nfs/dbraw/zinc/86/88/60/682868860.db2.gz IKNRIIYGWPIYHX-UHFFFAOYSA-N 1 0 350.406 2.296 20 10 FECDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1F ZINC000858611179 682984586 /nfs/dbraw/zinc/98/45/86/682984586.db2.gz ILOMIGHHEYGLKC-AWEZNQCLSA-N 1 0 369.437 2.318 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000861549791 683434095 /nfs/dbraw/zinc/43/40/95/683434095.db2.gz QNDWNDZMBPNGTR-DZGCQCFKSA-N 1 0 358.408 2.421 20 10 FECDRO CN(C)c1ccc(CNCc2nc(C[NH3+])cc(=O)[nH]2)c(C(F)(F)F)c1 ZINC000863647871 683756712 /nfs/dbraw/zinc/75/67/12/683756712.db2.gz FRYXMRFQHISXKD-UHFFFAOYSA-N 1 0 355.364 2.016 20 10 FECDRO Oc1ccc(Br)cc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922624466 683757311 /nfs/dbraw/zinc/75/73/11/683757311.db2.gz OUZHGBWFDDZRBK-UHFFFAOYSA-N 1 0 372.259 2.293 20 10 FECDRO CC1CCN(c2ccc(CNS(=O)(=O)CCC[NH+](C)C)cc2)CC1 ZINC000866753440 684145546 /nfs/dbraw/zinc/14/55/46/684145546.db2.gz SFJHFENKQLQCNB-UHFFFAOYSA-N 1 0 353.532 2.294 20 10 FECDRO CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923582220 684308454 /nfs/dbraw/zinc/30/84/54/684308454.db2.gz KRTPFBDEXJSPBP-SFHVURJKSA-N 1 0 351.516 2.191 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000925054364 684520826 /nfs/dbraw/zinc/52/08/26/684520826.db2.gz FHBHZHMTYOBNOW-ZNXRZULTSA-N 1 0 366.552 2.438 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925167332 684534111 /nfs/dbraw/zinc/53/41/11/684534111.db2.gz PPAWBXOXVATQRR-UONOGXRCSA-N 1 0 355.891 2.425 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925409378 684560336 /nfs/dbraw/zinc/56/03/36/684560336.db2.gz FMIGRPGYDPYUEO-ZDUSSCGKSA-N 1 0 356.264 2.390 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)CC2(O)CCOCC2)cc1F ZINC000872200417 684926935 /nfs/dbraw/zinc/92/69/35/684926935.db2.gz IARQSSRZQCSNHJ-MRXNPFEDSA-N 1 0 354.466 2.054 20 10 FECDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(F)(F)F ZINC000873226766 685099754 /nfs/dbraw/zinc/09/97/54/685099754.db2.gz ATBSAJOEXYBTIE-ZIAGYGMSSA-N 1 0 361.383 2.231 20 10 FECDRO O=S1(=O)CCC(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000876943958 686298414 /nfs/dbraw/zinc/29/84/14/686298414.db2.gz WNLLSUSCXGOLSA-UHFFFAOYSA-N 1 0 354.541 2.154 20 10 FECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC(C)C ZINC000877031209 686314515 /nfs/dbraw/zinc/31/45/15/686314515.db2.gz ROFLAPALWLJDKP-SFHVURJKSA-N 1 0 354.516 2.072 20 10 FECDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877622685 686424270 /nfs/dbraw/zinc/42/42/70/686424270.db2.gz AZUIUDUUQOKUSU-MTJJIEKYSA-N 1 0 350.528 2.427 20 10 FECDRO CN1CC[NH+](C2CCN(Cc3ccc(Br)cc3O)CC2)CC1 ZINC000877746933 686448666 /nfs/dbraw/zinc/44/86/66/686448666.db2.gz NXCQQQCVVVVQKB-UHFFFAOYSA-N 1 0 368.319 2.367 20 10 FECDRO COc1cc(N2CC[NH+](C[C@H]3CCO[C@H]3C)CC2)cc(OC)c1OC ZINC000878430289 686583817 /nfs/dbraw/zinc/58/38/17/686583817.db2.gz BNYZOFSFFGYFTK-LSDHHAIUSA-N 1 0 350.459 2.259 20 10 FECDRO COc1cc(N2CC[NH+](C[C@@H]3CCO[C@@H]3C)CC2)cc(OC)c1OC ZINC000878430286 686583843 /nfs/dbraw/zinc/58/38/43/686583843.db2.gz BNYZOFSFFGYFTK-CABCVRRESA-N 1 0 350.459 2.259 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)C(F)F)cc2F)CC1 ZINC000881282623 687121654 /nfs/dbraw/zinc/12/16/54/687121654.db2.gz LCLTWPVKLJEWDH-GFCCVEGCSA-N 1 0 358.408 2.420 20 10 FECDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)C3CCCCC3)cc2)CC1 ZINC000882664207 687432406 /nfs/dbraw/zinc/43/24/06/687432406.db2.gz OGHJMLCBLVVGGQ-UHFFFAOYSA-N 1 0 351.516 2.191 20 10 FECDRO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000883373948 687618140 /nfs/dbraw/zinc/61/81/40/687618140.db2.gz KKMNQKGBEVNATP-YDHLFZDLSA-N 1 0 372.918 2.403 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3SCCS3)cc2)CC1 ZINC000883782214 687725429 /nfs/dbraw/zinc/72/54/29/687725429.db2.gz ZRRGECXCYIXIIS-UHFFFAOYSA-N 1 0 366.556 2.044 20 10 FECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000886623754 688284529 /nfs/dbraw/zinc/28/45/29/688284529.db2.gz NFLUTCRTZIBICN-KGLIPLIRSA-N 1 0 354.397 2.233 20 10 FECDRO CN(CC1=CCSC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889660889 688803817 /nfs/dbraw/zinc/80/38/17/688803817.db2.gz LJGLZXBRJBFJLH-UHFFFAOYSA-N 1 0 360.527 2.253 20 10 FECDRO CSc1nccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245511 689039418 /nfs/dbraw/zinc/03/94/18/689039418.db2.gz FMZBQGRBWIDZEG-HNNXBMFYSA-N 1 0 359.499 2.297 20 10 FECDRO F[C@H]1CC2(CC[C@@H]1[NH2+]Cc1ccc(N3CCOCC3)cc1)OCCO2 ZINC000892668908 689225973 /nfs/dbraw/zinc/22/59/73/689225973.db2.gz UEYUBGURFHNNET-ROUUACIJSA-N 1 0 350.434 2.247 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000894502864 689543878 /nfs/dbraw/zinc/54/38/78/689543878.db2.gz WRVFNXLPEHNQMD-CHWSQXEVSA-N 1 0 356.488 2.112 20 10 FECDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1csnn1 ZINC000895375691 689705318 /nfs/dbraw/zinc/70/53/18/689705318.db2.gz BEGVLAVZLYREDO-LRDDRELGSA-N 1 0 362.503 2.267 20 10 FECDRO C[C@H]1CSCCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896445679 689875532 /nfs/dbraw/zinc/87/55/32/689875532.db2.gz XOGAPKSKAMJRAH-INIZCTEOSA-N 1 0 362.543 2.475 20 10 FECDRO O=C1N[C@H](C2CC[NH+](Cc3c(O)cccc3Br)CC2)CO1 ZINC000897018612 689964199 /nfs/dbraw/zinc/96/41/99/689964199.db2.gz GRNJZSYXHKQQFJ-ZDUSSCGKSA-N 1 0 355.232 2.475 20 10 FECDRO COc1ccc(O)c(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 ZINC000897273075 689998637 /nfs/dbraw/zinc/99/86/37/689998637.db2.gz JSPHEIZLSJHIGA-UHFFFAOYSA-N 1 0 368.499 2.181 20 10 FECDRO CN(C)c1ccc([C@@H](CNc2nnc(Cl)cc2C(N)=O)[NH+](C)C)cc1 ZINC000897525448 690034325 /nfs/dbraw/zinc/03/43/25/690034325.db2.gz NXCAMKLLBMLPGR-CQSZACIVSA-N 1 0 362.865 2.010 20 10 FECDRO COC(=O)c1cnc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898446763 690185717 /nfs/dbraw/zinc/18/57/17/690185717.db2.gz AFOVHZZUBVARHJ-OAHLLOKOSA-N 1 0 362.499 2.388 20 10 FECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CC1(O)CCCC1 ZINC000905051920 691061672 /nfs/dbraw/zinc/06/16/72/691061672.db2.gz JHSABRNIVLASMV-GOSISDBHSA-N 1 0 350.528 2.386 20 10 FECDRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000054786575 540609972 /nfs/dbraw/zinc/60/99/72/540609972.db2.gz WCNVYWDWUJOQJC-UHFFFAOYSA-N 1 0 360.502 2.195 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072719196 541857043 /nfs/dbraw/zinc/85/70/43/541857043.db2.gz BTAAOYRQVGDIGT-IBGZPJMESA-N 1 0 358.530 2.177 20 10 FECDRO CCn1cc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cn1 ZINC000074587500 542100973 /nfs/dbraw/zinc/10/09/73/542100973.db2.gz FJMBZYIDIRMUNC-UHFFFAOYSA-N 1 0 359.449 2.114 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081557856 542665194 /nfs/dbraw/zinc/66/51/94/542665194.db2.gz YATGWNDOJMLZEL-IRXDYDNUSA-N 1 0 361.461 2.153 20 10 FECDRO CCOc1ccnc(N2CCC[N@H+](Cc3cccc(OC)c3O)CC2)n1 ZINC000091959526 542834194 /nfs/dbraw/zinc/83/41/94/542834194.db2.gz RHGIWWDVOIZKTP-UHFFFAOYSA-N 1 0 358.442 2.302 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCOC(C)C)cc2F)CC1 ZINC000106702626 543243714 /nfs/dbraw/zinc/24/37/14/543243714.db2.gz ORCDPVDMBBUPRX-UHFFFAOYSA-N 1 0 351.466 2.399 20 10 FECDRO Oc1cccc(Cl)c1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000113320032 543484012 /nfs/dbraw/zinc/48/40/12/543484012.db2.gz RJLOURQGSTYOCG-UHFFFAOYSA-N 1 0 361.877 2.138 20 10 FECDRO CCC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802656589 674190316 /nfs/dbraw/zinc/19/03/16/674190316.db2.gz QUBAKGDRIFBXSJ-GFCCVEGCSA-N 1 0 355.232 2.124 20 10 FECDRO Nc1ccc(CCNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000152518369 544663552 /nfs/dbraw/zinc/66/35/52/544663552.db2.gz HANMYNHFBLWAQX-HXUWFJFHSA-N 1 0 353.466 2.219 20 10 FECDRO CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cc(Br)ccc1O ZINC000154990060 544973964 /nfs/dbraw/zinc/97/39/64/544973964.db2.gz WHNSRFPWPUWGBB-GFCCVEGCSA-N 1 0 365.293 2.135 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000159448996 545953808 /nfs/dbraw/zinc/95/38/08/545953808.db2.gz SLDMYUKTOYVJQW-HNNXBMFYSA-N 1 0 356.488 2.085 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1OC ZINC000180027568 547041008 /nfs/dbraw/zinc/04/10/08/547041008.db2.gz HQGOEQGKONJSFJ-INIZCTEOSA-N 1 0 350.459 2.096 20 10 FECDRO COc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000180573131 547132594 /nfs/dbraw/zinc/13/25/94/547132594.db2.gz JHHBTDLDKQBXLB-UHFFFAOYSA-N 1 0 369.465 2.466 20 10 FECDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C[C@H](C)O1 ZINC000180741499 547170940 /nfs/dbraw/zinc/17/09/40/547170940.db2.gz ISBPJJFBDKOHOF-YHDUYMPDSA-N 1 0 374.481 2.459 20 10 FECDRO CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000183578243 547684214 /nfs/dbraw/zinc/68/42/14/547684214.db2.gz KSWYVENGUKKRMW-UHFFFAOYSA-N 1 0 368.481 2.286 20 10 FECDRO COc1cc(N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)cc(OC)c1OC ZINC000183706610 547704739 /nfs/dbraw/zinc/70/47/39/547704739.db2.gz XHBUDFMOWHXLJI-MRXNPFEDSA-N 1 0 363.502 2.319 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c1 ZINC000184980874 547911322 /nfs/dbraw/zinc/91/13/22/547911322.db2.gz FRNAQHGUMJQJOO-INIZCTEOSA-N 1 0 371.485 2.054 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1 ZINC000186141890 548090220 /nfs/dbraw/zinc/09/02/20/548090220.db2.gz OZQFNNZCPDPCEH-GFCCVEGCSA-N 1 0 370.496 2.400 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(N(C)C)cc1 ZINC000189169162 548297879 /nfs/dbraw/zinc/29/78/79/548297879.db2.gz UHJUGDQXXWYOCH-HNNXBMFYSA-N 1 0 362.495 2.369 20 10 FECDRO COc1cc(N2CC[NH+](CC[C@H]3CCCO3)CC2)cc(OC)c1OC ZINC000189974282 548315474 /nfs/dbraw/zinc/31/54/74/548315474.db2.gz RZEDOOTZBCQMQG-MRXNPFEDSA-N 1 0 350.459 2.404 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193996640 548419739 /nfs/dbraw/zinc/41/97/39/548419739.db2.gz HLBPQDJYRIJUAC-KRWDZBQOSA-N 1 0 355.486 2.314 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000194671091 548514441 /nfs/dbraw/zinc/51/44/41/548514441.db2.gz NKQNGUQPHCWXJH-UHFFFAOYSA-N 1 0 371.525 2.386 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000236916748 548788000 /nfs/dbraw/zinc/78/80/00/548788000.db2.gz DLVOWPCSVPYXSR-AWEZNQCLSA-N 1 0 371.275 2.272 20 10 FECDRO CC[NH+]1CCN(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000263685370 549919109 /nfs/dbraw/zinc/91/91/09/549919109.db2.gz OPBNYXYYHGWVOO-UHFFFAOYSA-N 1 0 358.530 2.271 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1(c3ccccc3)CC1)cc2=O ZINC000264014895 549967966 /nfs/dbraw/zinc/96/79/66/549967966.db2.gz UBLUIKJNEZTLHM-UHFFFAOYSA-N 1 0 352.394 2.391 20 10 FECDRO C[N@H+](CCNC(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000264289026 549993718 /nfs/dbraw/zinc/99/37/18/549993718.db2.gz GIMCYBBLJLLGNM-UHFFFAOYSA-N 1 0 360.502 2.197 20 10 FECDRO CC[NH+](CC)CCSCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000266171826 550017896 /nfs/dbraw/zinc/01/78/96/550017896.db2.gz SOVJNYPRPUGBHY-UHFFFAOYSA-N 1 0 365.543 2.214 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000268789594 550116374 /nfs/dbraw/zinc/11/63/74/550116374.db2.gz BLDSBADOHBEUDO-DBXWQHBBSA-N 1 0 360.546 2.136 20 10 FECDRO [NH3+]C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000269235313 550170525 /nfs/dbraw/zinc/17/05/25/550170525.db2.gz GDPFCQVNQCLGCX-GOSISDBHSA-N 1 0 371.456 2.146 20 10 FECDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC000269307735 550179439 /nfs/dbraw/zinc/17/94/39/550179439.db2.gz UTGCSGHBYQNIBI-UHFFFAOYSA-N 1 0 366.509 2.265 20 10 FECDRO C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273304117 550493793 /nfs/dbraw/zinc/49/37/93/550493793.db2.gz CJEXGSIBTLFYPK-AWEZNQCLSA-N 1 0 371.441 2.298 20 10 FECDRO CCCOc1ccc(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)c(O)c1 ZINC000273610975 550505300 /nfs/dbraw/zinc/50/53/00/550505300.db2.gz AEYSGNCZTBCRGC-UHFFFAOYSA-N 1 0 374.441 2.396 20 10 FECDRO CCOc1cccc(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)c1O ZINC000273718631 550508962 /nfs/dbraw/zinc/50/89/62/550508962.db2.gz HQLMKHLVTNTVAY-UHFFFAOYSA-N 1 0 360.414 2.006 20 10 FECDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000273799071 550511452 /nfs/dbraw/zinc/51/14/52/550511452.db2.gz WUSVKSRQEGMIEQ-OLZOCXBDSA-N 1 0 370.877 2.417 20 10 FECDRO COc1c(O)c(C[NH2+]Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278526933 550795625 /nfs/dbraw/zinc/79/56/25/550795625.db2.gz UAUHINODWUSEDS-UHFFFAOYSA-N 1 0 360.292 2.351 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)cc2=O ZINC000278723511 550815138 /nfs/dbraw/zinc/81/51/38/550815138.db2.gz KUQRLHIFYPSKHZ-JTQLQIEISA-N 1 0 372.347 2.386 20 10 FECDRO CN(C)c1ccc(C[NH2+]CC2(C(N)=O)CCOCC2)c(C(F)(F)F)c1 ZINC000279923614 550943411 /nfs/dbraw/zinc/94/34/11/550943411.db2.gz MSVHBKRGHOLSAR-UHFFFAOYSA-N 1 0 359.392 2.143 20 10 FECDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280972307 551050785 /nfs/dbraw/zinc/05/07/85/551050785.db2.gz LJRRETPUONNAMC-AWEZNQCLSA-N 1 0 370.490 2.280 20 10 FECDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285512559 551767853 /nfs/dbraw/zinc/76/78/53/551767853.db2.gz JVBVTPASZKFJEH-PXNSSMCTSA-N 1 0 358.530 2.270 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(=O)[nH]n1 ZINC000285856058 551819271 /nfs/dbraw/zinc/81/92/71/551819271.db2.gz YEIPLLFLLFIYSU-HZSPNIEDSA-N 1 0 360.433 2.373 20 10 FECDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000289926920 552400797 /nfs/dbraw/zinc/40/07/97/552400797.db2.gz KRJQFIGQVIOOTC-VQTJNVASSA-N 1 0 359.514 2.146 20 10 FECDRO CCN(CC)c1ccc(CN(CCOC)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000290361374 552466555 /nfs/dbraw/zinc/46/65/55/552466555.db2.gz GVGZROYFOHJKSW-MRXNPFEDSA-N 1 0 372.506 2.307 20 10 FECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)COCCOC ZINC000294947665 552946422 /nfs/dbraw/zinc/94/64/22/552946422.db2.gz KCPIMENXTLBLCO-AWEZNQCLSA-N 1 0 362.264 2.001 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000296286058 553135222 /nfs/dbraw/zinc/13/52/22/553135222.db2.gz OXVBJDVNJFKHKP-RLLQIKCJSA-N 1 0 357.498 2.258 20 10 FECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000296498092 553170063 /nfs/dbraw/zinc/17/00/63/553170063.db2.gz OYSKCIQBBQEYHP-KOLCDFICSA-N 1 0 365.293 2.133 20 10 FECDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000297364106 553283375 /nfs/dbraw/zinc/28/33/75/553283375.db2.gz LUWKONOGALXPFS-KRWDZBQOSA-N 1 0 372.513 2.149 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000298580358 553443574 /nfs/dbraw/zinc/44/35/74/553443574.db2.gz GBVVYGNKVRVCJF-QGZVFWFLSA-N 1 0 361.486 2.074 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)C[C@@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000361334451 554917014 /nfs/dbraw/zinc/91/70/14/554917014.db2.gz FWHKBDQMWXRBSO-OAHLLOKOSA-N 1 0 354.516 2.277 20 10 FECDRO COc1cccc(C[NH2+]CCC(=O)N2CCOc3ccccc3C2)c1O ZINC000362718850 554983563 /nfs/dbraw/zinc/98/35/63/554983563.db2.gz CFORCCRVGOPAGD-UHFFFAOYSA-N 1 0 356.422 2.302 20 10 FECDRO Cn1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000364689720 555375891 /nfs/dbraw/zinc/37/58/91/555375891.db2.gz YVQHBJLUWDSZQH-MRXNPFEDSA-N 1 0 362.861 2.102 20 10 FECDRO Cc1ccc(C(=O)NC2CC[NH+](CC3(O)CCCCC3)CC2)c(O)c1O ZINC000364702119 555378917 /nfs/dbraw/zinc/37/89/17/555378917.db2.gz NPPDHGZCONVOAS-UHFFFAOYSA-N 1 0 362.470 2.296 20 10 FECDRO COc1cc(O)c(C[N@H+](C)C2CCN(c3cccnn3)CC2)cc1OC ZINC000364902865 555431938 /nfs/dbraw/zinc/43/19/38/555431938.db2.gz CGVXFOLQFXVVJO-UHFFFAOYSA-N 1 0 358.442 2.300 20 10 FECDRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000367689971 556115561 /nfs/dbraw/zinc/11/55/61/556115561.db2.gz SSKKQLIAGPXRPW-LBPRGKRZSA-N 1 0 370.471 2.393 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000368874198 556435313 /nfs/dbraw/zinc/43/53/13/556435313.db2.gz DIMGVXUWHZMUEN-IBGZPJMESA-N 1 0 355.486 2.245 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000369026886 556480686 /nfs/dbraw/zinc/48/06/86/556480686.db2.gz JRPIOGGJTGVAJB-OALUTQOASA-N 1 0 360.502 2.195 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@@H](C)C3(S(C)(=O)=O)CC3)CC2)cc1 ZINC000370738883 556954389 /nfs/dbraw/zinc/95/43/89/556954389.db2.gz IPBYJIZXLBMOCP-AWEZNQCLSA-N 1 0 352.500 2.219 20 10 FECDRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Cl)cc1O ZINC000527946470 562309066 /nfs/dbraw/zinc/30/90/66/562309066.db2.gz DSSZUXGZICWNCF-FZKQIMNGSA-N 1 0 354.878 2.312 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000371092216 557073091 /nfs/dbraw/zinc/07/30/91/557073091.db2.gz ZPSFWYWJDZGYCD-OXJNMPFZSA-N 1 0 358.486 2.343 20 10 FECDRO CN1CCc2cc(CNC(=O)N3CCC(OCCC[NH+](C)C)CC3)ccc21 ZINC000376238148 558145897 /nfs/dbraw/zinc/14/58/97/558145897.db2.gz CVQGDPRWYFFSNO-UHFFFAOYSA-N 1 0 374.529 2.321 20 10 FECDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000376384980 558166557 /nfs/dbraw/zinc/16/65/57/558166557.db2.gz KZEWEGACGXYGBA-UHFFFAOYSA-N 1 0 372.513 2.051 20 10 FECDRO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2N1 ZINC000377228053 558293983 /nfs/dbraw/zinc/29/39/83/558293983.db2.gz YYVGLCLXIFGVLP-ICSRJNTNSA-N 1 0 368.433 2.061 20 10 FECDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3ccccc3)C(=O)[O-])cc2)CC1 ZINC000756282933 598193544 /nfs/dbraw/zinc/19/35/44/598193544.db2.gz SJSOYHMBQGFNQI-HXUWFJFHSA-N 1 0 353.466 2.224 20 10 FECDRO CCOc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC000821421643 599452407 /nfs/dbraw/zinc/45/24/07/599452407.db2.gz BDRMSFASDYNEMY-UHFFFAOYSA-N 1 0 355.398 2.140 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccccc2-c2nn[nH]n2)c1 ZINC000826210392 608502153 /nfs/dbraw/zinc/50/21/53/608502153.db2.gz PNVKLLXBOFXSLN-LBPRGKRZSA-N 1 0 355.398 2.311 20 10 FECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826291515 608854127 /nfs/dbraw/zinc/85/41/27/608854127.db2.gz JQXRMYCAELYTDS-GOSISDBHSA-N 1 0 351.410 2.454 20 10 FECDRO C[N@H+](Cc1ccccc1S(N)(=O)=O)Cc1c(O)ccc2ccncc21 ZINC000814232360 674827422 /nfs/dbraw/zinc/82/74/22/674827422.db2.gz SAYGYMYRJANHMU-UHFFFAOYSA-N 1 0 357.435 2.220 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)c(C(F)(F)F)c1 ZINC000817420553 675131594 /nfs/dbraw/zinc/13/15/94/675131594.db2.gz VMRXSQSXTROURI-GFCCVEGCSA-N 1 0 354.380 2.253 20 10 FECDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000130206328 672072463 /nfs/dbraw/zinc/07/24/63/672072463.db2.gz GENPZVFGSBPTSL-HNNXBMFYSA-N 1 0 353.532 2.465 20 10 FECDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000138287050 672143466 /nfs/dbraw/zinc/14/34/66/672143466.db2.gz IGNDRZQTRMDFET-GFCCVEGCSA-N 1 0 364.467 2.141 20 10 FECDRO COc1ccc(N2CCC(NC(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)cc1 ZINC000155399874 672232588 /nfs/dbraw/zinc/23/25/88/672232588.db2.gz DCGYEGWLZOSDMG-QGZVFWFLSA-N 1 0 363.527 2.218 20 10 FECDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cccc(C)c2O)c(C)s1 ZINC000182658344 672449621 /nfs/dbraw/zinc/44/96/21/672449621.db2.gz MRADDORMAZSQMM-UHFFFAOYSA-N 1 0 354.497 2.447 20 10 FECDRO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000185099899 672518830 /nfs/dbraw/zinc/51/88/30/672518830.db2.gz UVIKPYJYFJAEDF-UHFFFAOYSA-N 1 0 358.463 2.451 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCSC[C@@H](C)C3)CC2)cc1 ZINC000190412202 672640473 /nfs/dbraw/zinc/64/04/73/672640473.db2.gz LGZDDCMXQNCGIH-INIZCTEOSA-N 1 0 363.527 2.029 20 10 FECDRO C[NH+](C)CCNC(=S)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726494626 673126939 /nfs/dbraw/zinc/12/69/39/673126939.db2.gz ZBZKZBKSMMXXKE-UHFFFAOYSA-N 1 0 372.485 2.283 20 10 FECDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000742804726 673738666 /nfs/dbraw/zinc/73/86/66/673738666.db2.gz AZUWBTKYEYFCAW-ZIAGYGMSSA-N 1 0 353.413 2.325 20 10 FECDRO C[C@H]1CCCN(c2ccc(C[NH2+]CCC(=O)NC(N)=O)cc2Cl)C1 ZINC000819291228 675277973 /nfs/dbraw/zinc/27/79/73/675277973.db2.gz SCQZFNBIZWHQRU-LBPRGKRZSA-N 1 0 352.866 2.251 20 10 FECDRO COc1ccc(N2CC[C@@H](CNC(=O)C[N@H+](C)[C@@H]3CCSC3)C2)cc1 ZINC000819586852 675302823 /nfs/dbraw/zinc/30/28/23/675302823.db2.gz VCCOGKHHTNKTPU-DOTOQJQBSA-N 1 0 363.527 2.075 20 10 FECDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000819697124 675309940 /nfs/dbraw/zinc/30/99/40/675309940.db2.gz PUZIKWZDDMWOIK-CQSZACIVSA-N 1 0 350.459 2.451 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)cc1Cl ZINC000825484185 675655493 /nfs/dbraw/zinc/65/54/93/675655493.db2.gz IKQJATDEQLGIPS-OAHLLOKOSA-N 1 0 362.861 2.368 20 10 FECDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Br)cc1O ZINC000825621630 675661260 /nfs/dbraw/zinc/66/12/60/675661260.db2.gz NHOQDXNOUXEBAS-GFCCVEGCSA-N 1 0 357.292 2.432 20 10 FECDRO CON(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000825955599 675675731 /nfs/dbraw/zinc/67/57/31/675675731.db2.gz PGEBSTYXCQRWRG-UHFFFAOYSA-N 1 0 357.248 2.387 20 10 FECDRO COc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1O ZINC000827047009 675725484 /nfs/dbraw/zinc/72/54/84/675725484.db2.gz CJCTZYJPTSPPME-UHFFFAOYSA-N 1 0 361.769 2.121 20 10 FECDRO Cc1ccn(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000827096146 675728769 /nfs/dbraw/zinc/72/87/69/675728769.db2.gz RLTRMAMNDLHMGD-MRXNPFEDSA-N 1 0 362.861 2.331 20 10 FECDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000827545037 675763958 /nfs/dbraw/zinc/76/39/58/675763958.db2.gz RLAXYEJDOHQEJK-CYBMUJFWSA-N 1 0 356.264 2.342 20 10 FECDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000827662621 675771473 /nfs/dbraw/zinc/77/14/73/675771473.db2.gz SNEJBJWZBKRYGM-VQIMIIECSA-N 1 0 366.527 2.093 20 10 FECDRO CC[NH+]1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000760942790 680705633 /nfs/dbraw/zinc/70/56/33/680705633.db2.gz GODMOUXGRYMSEV-UHFFFAOYSA-N 1 0 351.834 2.294 20 10 FECDRO C[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[N@@H+]1C1CC1 ZINC000762097446 680740391 /nfs/dbraw/zinc/74/03/91/680740391.db2.gz TXYVAMWOZWKVLJ-ABAIWWIYSA-N 1 0 363.845 2.435 20 10 FECDRO O=C(c1cn[nH]c1[C@H]1CC[NH2+]C1)N1CCc2cc(Br)ccc21 ZINC000662416886 678618509 /nfs/dbraw/zinc/61/85/09/678618509.db2.gz IVKUWLXMNJCEKM-NSHDSACASA-N 1 0 361.243 2.452 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2c(Br)cnn2C)cc1 ZINC000841044504 680860891 /nfs/dbraw/zinc/86/08/91/680860891.db2.gz ZCVGGDXKYGPPAI-AWEZNQCLSA-N 1 0 352.280 2.038 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831186037 679942461 /nfs/dbraw/zinc/94/24/61/679942461.db2.gz HQKREZDJTQLOHN-GFCCVEGCSA-N 1 0 354.248 2.096 20 10 FECDRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000834890746 680280625 /nfs/dbraw/zinc/28/06/25/680280625.db2.gz PHLMVHFKIDRJPU-KBPBESRZSA-N 1 0 351.878 2.448 20 10 FECDRO CN(C)c1ccc(/C=C\C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000835030610 680287670 /nfs/dbraw/zinc/28/76/70/680287670.db2.gz ZTFTWHBEUNZCED-WAYWQWQTSA-N 1 0 351.516 2.122 20 10 FECDRO CC(C)[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000837706899 680638001 /nfs/dbraw/zinc/63/80/01/680638001.db2.gz HZOKYUIGOFJXLE-MRXNPFEDSA-N 1 0 355.429 2.004 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)OCCCF)CC2)cc1 ZINC000841476346 680885195 /nfs/dbraw/zinc/88/51/95/680885195.db2.gz YAQRPJRGNGCEBR-UHFFFAOYSA-N 1 0 353.438 2.293 20 10 FECDRO Cc1cc(Br)c(O)c(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000841891688 680916487 /nfs/dbraw/zinc/91/64/87/680916487.db2.gz OOUGJELJIHGASS-QWHCGFSZSA-N 1 0 357.292 2.350 20 10 FECDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000841891684 680916587 /nfs/dbraw/zinc/91/65/87/680916587.db2.gz OOUGJELJIHGASS-CHWSQXEVSA-N 1 0 357.292 2.350 20 10 FECDRO C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1CCC[NH2+]C1 ZINC000841929689 680917844 /nfs/dbraw/zinc/91/78/44/680917844.db2.gz ZMZGFZMWIGUGNB-MNOVXSKESA-N 1 0 356.264 2.342 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000842012745 680922092 /nfs/dbraw/zinc/92/20/92/680922092.db2.gz AVCDQBSLVSRPIS-RAIGVLPGSA-N 1 0 368.275 2.342 20 10 FECDRO Cc1cc(C(O)=CONC(=[NH2+])CCO)c(C)n1-c1ccc(Cl)cn1 ZINC000842040017 680923165 /nfs/dbraw/zinc/92/31/65/680923165.db2.gz CILPGWMKZLEHTQ-UHFFFAOYSA-N 1 0 350.806 2.206 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000842784455 680966169 /nfs/dbraw/zinc/96/61/69/680966169.db2.gz JXTKFDAGNSVIBG-HNNXBMFYSA-N 1 0 373.400 2.148 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000842786444 680966478 /nfs/dbraw/zinc/96/64/78/680966478.db2.gz QTXQQLXFIQNLQA-KRWDZBQOSA-N 1 0 351.447 2.011 20 10 FECDRO COc1ccc(C)cc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786409 680966479 /nfs/dbraw/zinc/96/64/79/680966479.db2.gz ZXCVTWISGMMTOZ-MRXNPFEDSA-N 1 0 363.483 2.048 20 10 FECDRO [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC12CCOCC2 ZINC000843125194 680989297 /nfs/dbraw/zinc/98/92/97/680989297.db2.gz NTWUSPHUWXKLIN-LBPRGKRZSA-N 1 0 355.822 2.141 20 10 FECDRO Cc1cc(C)nc(SCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000843299801 680996727 /nfs/dbraw/zinc/99/67/27/680996727.db2.gz WSRRWTVGUOEGKG-MRXNPFEDSA-N 1 0 359.499 2.068 20 10 FECDRO C[NH2+]CCNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843333699 680998536 /nfs/dbraw/zinc/99/85/36/680998536.db2.gz XUTHRPCKHQXMHZ-UHFFFAOYSA-N 1 0 351.248 2.201 20 10 FECDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846138841 681188921 /nfs/dbraw/zinc/18/89/21/681188921.db2.gz IGSIYHMEXVZCAI-ZDUSSCGKSA-N 1 0 356.488 2.256 20 10 FECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000776813273 681438351 /nfs/dbraw/zinc/43/83/51/681438351.db2.gz XHRQPKYPGZJVEY-DZGCQCFKSA-N 1 0 360.248 2.065 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c1O ZINC000848531258 681572895 /nfs/dbraw/zinc/57/28/95/681572895.db2.gz MWSRFCOYSYBMBV-JOYOIKCWSA-N 1 0 357.248 2.435 20 10 FECDRO CCN1C[C@@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1=O ZINC000848553374 681576808 /nfs/dbraw/zinc/57/68/08/681576808.db2.gz KXCKJSLKNSSPKC-KOLCDFICSA-N 1 0 357.248 2.435 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@@H](C)S(=O)(=O)C3)CC2)cc1 ZINC000850369472 681894254 /nfs/dbraw/zinc/89/42/54/681894254.db2.gz KPSUSIQKJGVGFR-ZBFHGGJFSA-N 1 0 352.500 2.219 20 10 FECDRO CC(C)[N@H+](Cc1coc(S(N)(=O)=O)c1)Cc1ccc(N(C)C)cc1 ZINC000851732424 682115254 /nfs/dbraw/zinc/11/52/54/682115254.db2.gz PWPZWXDWGYHNOZ-UHFFFAOYSA-N 1 0 351.472 2.404 20 10 FECDRO COc1ccc(N2CCN(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1F ZINC000851808094 682142112 /nfs/dbraw/zinc/14/21/12/682142112.db2.gz KYZAFXIHVGFEEE-IYBDPMFKSA-N 1 0 351.466 2.066 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1O ZINC000852284076 682254364 /nfs/dbraw/zinc/25/43/64/682254364.db2.gz GTNSHOGJPAIEIC-SFHVURJKSA-N 1 0 351.418 2.391 20 10 FECDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CS(=O)(=O)C2)ccc1N1CCCCC1 ZINC000786825682 682409269 /nfs/dbraw/zinc/40/92/69/682409269.db2.gz YRKXCDQFUYESIH-UHFFFAOYSA-N 1 0 367.471 2.109 20 10 FECDRO C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000854230639 682526959 /nfs/dbraw/zinc/52/69/59/682526959.db2.gz ATWZPMMMGBICFS-LBPRGKRZSA-N 1 0 355.429 2.312 20 10 FECDRO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000788389972 682527543 /nfs/dbraw/zinc/52/75/43/682527543.db2.gz XYLRIHDPQABUJY-GOSISDBHSA-N 1 0 364.511 2.271 20 10 FECDRO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229901 682641413 /nfs/dbraw/zinc/64/14/13/682641413.db2.gz CRIJBBCFLCKXAA-MRXNPFEDSA-N 1 0 365.543 2.465 20 10 FECDRO CC(C)NS(=O)(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792968356 682852643 /nfs/dbraw/zinc/85/26/43/682852643.db2.gz FTSFCFUFDQIPQM-UHFFFAOYSA-N 1 0 367.437 2.189 20 10 FECDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1F ZINC000858105361 682934615 /nfs/dbraw/zinc/93/46/15/682934615.db2.gz FCAYVZBYTAWBRP-SFHVURJKSA-N 1 0 371.497 2.328 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CCC2(O)CCOCC2)c1O ZINC000796466151 683163809 /nfs/dbraw/zinc/16/38/09/683163809.db2.gz MSVDHFMPNOATEH-UHFFFAOYSA-N 1 0 360.248 2.185 20 10 FECDRO Oc1cccc(Br)c1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000862238689 683556224 /nfs/dbraw/zinc/55/62/24/683556224.db2.gz FRUBQSDLEOFVTJ-GDBMZVCRSA-N 1 0 355.276 2.186 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)cc1 ZINC000862551626 683600380 /nfs/dbraw/zinc/60/03/80/683600380.db2.gz OXYIRVIIMOZXOQ-QGZVFWFLSA-N 1 0 353.532 2.294 20 10 FECDRO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)Oc2ccccc21 ZINC000922207912 683679747 /nfs/dbraw/zinc/67/97/47/683679747.db2.gz LGGBQLCBABNXFM-MRXNPFEDSA-N 1 0 359.447 2.336 20 10 FECDRO COc1ccc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)cc1C ZINC000922496654 683735638 /nfs/dbraw/zinc/73/56/38/683735638.db2.gz RETWZMVMCFTSTJ-UHFFFAOYSA-N 1 0 357.332 2.118 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000925143010 684528320 /nfs/dbraw/zinc/52/83/20/684528320.db2.gz PGTRJIFZWFOFEI-MSOLQXFVSA-N 1 0 362.543 2.474 20 10 FECDRO COc1cc(Cl)cc(CN2CCC([NH+]3CCN(C)CC3)CC2)c1O ZINC000877745869 686447620 /nfs/dbraw/zinc/44/76/20/686447620.db2.gz BMTOLWIRXJZIIC-UHFFFAOYSA-N 1 0 353.894 2.266 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000881854347 687235039 /nfs/dbraw/zinc/23/50/39/687235039.db2.gz CNENHXGXWODAPL-DOTOQJQBSA-N 1 0 366.303 2.228 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1O ZINC000886229164 688216738 /nfs/dbraw/zinc/21/67/38/688216738.db2.gz LXOKSUIOVNVTBM-CHWSQXEVSA-N 1 0 360.248 2.183 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCCF)cc2F)CC1 ZINC000888193196 688560592 /nfs/dbraw/zinc/56/05/92/688560592.db2.gz CQMDWYJABSFTPI-UHFFFAOYSA-N 1 0 354.445 2.469 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C(F)F)c2)[NH+](C)C)cc1 ZINC000891246995 689039521 /nfs/dbraw/zinc/03/95/21/689039521.db2.gz RFUDRIZUMZIUQA-OAHLLOKOSA-N 1 0 351.401 2.377 20 10 FECDRO Cc1c(Cl)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1C ZINC000891250683 689039925 /nfs/dbraw/zinc/03/99/25/689039925.db2.gz YZJNYQGIFIJPFW-OAHLLOKOSA-N 1 0 363.893 2.481 20 10 FECDRO Cc1nn(C)c(Cl)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893607765 689374167 /nfs/dbraw/zinc/37/41/67/689374167.db2.gz KTBWZSBIVDWTEV-UHFFFAOYSA-N 1 0 361.877 2.064 20 10 FECDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894202012 689485445 /nfs/dbraw/zinc/48/54/45/689485445.db2.gz BBHBNJCVOHYOPN-CYBMUJFWSA-N 1 0 364.467 2.468 20 10 FECDRO CN(C)c1ccc([C@H](CNc2nnc(Cl)cc2C(N)=O)[NH+](C)C)cc1 ZINC000897525447 690034228 /nfs/dbraw/zinc/03/42/28/690034228.db2.gz NXCAMKLLBMLPGR-AWEZNQCLSA-N 1 0 362.865 2.010 20 10 FECDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCS(=O)(=O)CC1 ZINC000898449493 690185585 /nfs/dbraw/zinc/18/55/85/690185585.db2.gz GQWBOJWXAGCZOQ-KXBFYZLASA-N 1 0 367.559 2.158 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000898723748 690237795 /nfs/dbraw/zinc/23/77/95/690237795.db2.gz INHWGSDIMLADDJ-NSHDSACASA-N 1 0 352.232 2.464 20 10 FECDRO C[C@H](CCCCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098240 690303228 /nfs/dbraw/zinc/30/32/28/690303228.db2.gz MZUIQFOYDUGJBX-CRAIPNDOSA-N 1 0 350.507 2.206 20 10 FECDRO CCN(CC(C)(C)O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101779 690304395 /nfs/dbraw/zinc/30/43/95/690304395.db2.gz MGBUVKLXPUBRSL-KRWDZBQOSA-N 1 0 350.507 2.158 20 10 FECDRO CC[C@](C)(CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105495 690304776 /nfs/dbraw/zinc/30/47/76/690304776.db2.gz XPPDPKSLFVNHIK-PKOBYXMFSA-N 1 0 350.507 2.206 20 10 FECDRO CC[C@@H]([NH2+]CCCc1nnnn1C)c1cc(Br)ccc1O ZINC000903348882 690883785 /nfs/dbraw/zinc/88/37/85/690883785.db2.gz NHBJXKVTPIXTHH-GFCCVEGCSA-N 1 0 354.252 2.352 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCc2nnnn2C)c1O ZINC000903348452 690883866 /nfs/dbraw/zinc/88/38/66/690883866.db2.gz CQVKJPSPBSTVRE-SNVBAGLBSA-N 1 0 354.252 2.270 20 10 FECDRO [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cccc(Br)c1[O-])CC2 ZINC000904390739 691024413 /nfs/dbraw/zinc/02/44/13/691024413.db2.gz BQDROGDKICXBCB-ZDUSSCGKSA-N 1 0 355.276 2.485 20 10 FECDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000800479332 674056125 /nfs/dbraw/zinc/05/61/25/674056125.db2.gz ZBPRRYXHIZNRTE-HKUYNNGSSA-N 1 0 366.527 2.216 20 10 FECDRO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000045633769 540218932 /nfs/dbraw/zinc/21/89/32/540218932.db2.gz WFLLTWJRENBJLK-CALCHBBNSA-N 1 0 362.518 2.393 20 10 FECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801507222 674132256 /nfs/dbraw/zinc/13/22/56/674132256.db2.gz BBVOLMANWRJHAR-QGZVFWFLSA-N 1 0 353.532 2.246 20 10 FECDRO CC1CCN(c2ccc(CNC(=O)NCC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC000077824728 542424198 /nfs/dbraw/zinc/42/41/98/542424198.db2.gz VFOILPXZHBRXFI-UHFFFAOYSA-N 1 0 374.529 2.179 20 10 FECDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000089638582 542767682 /nfs/dbraw/zinc/76/76/82/542767682.db2.gz RQOUWSZEGBOGQB-KGLIPLIRSA-N 1 0 358.479 2.136 20 10 FECDRO CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000093132860 542911437 /nfs/dbraw/zinc/91/14/37/542911437.db2.gz FYMIKBDOZVCVDD-OAHLLOKOSA-N 1 0 368.865 2.166 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(F)(F)F)cc2F)CC1 ZINC000106506671 543232634 /nfs/dbraw/zinc/23/26/34/543232634.db2.gz BBHFUIZQKPGSFS-UHFFFAOYSA-N 1 0 362.371 2.329 20 10 FECDRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000121147030 543689968 /nfs/dbraw/zinc/68/99/68/543689968.db2.gz NQADFJVZKLYTJH-CQSZACIVSA-N 1 0 357.495 2.406 20 10 FECDRO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)c(C)n1-c1ccccn1 ZINC000118722125 543657122 /nfs/dbraw/zinc/65/71/22/543657122.db2.gz CFTCUUHEHPBJJL-UHFFFAOYSA-N 1 0 356.470 2.066 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccncc3F)CC2)cc1 ZINC000124275903 543811156 /nfs/dbraw/zinc/81/11/56/543811156.db2.gz HZJYXOVVVCSXAN-UHFFFAOYSA-N 1 0 372.444 2.171 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134934402 544328002 /nfs/dbraw/zinc/32/80/02/544328002.db2.gz HVGDNNVRYWKKCO-NQIIRXRSSA-N 1 0 370.541 2.318 20 10 FECDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000155771377 545567890 /nfs/dbraw/zinc/56/78/90/545567890.db2.gz UNGYCYURNAFWAC-ARGQNCHBSA-N 1 0 357.498 2.381 20 10 FECDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000158456284 545861719 /nfs/dbraw/zinc/86/17/19/545861719.db2.gz UAHSRAQSAIAIER-IBGZPJMESA-N 1 0 374.529 2.300 20 10 FECDRO CN(C)c1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1 ZINC000177487197 546628544 /nfs/dbraw/zinc/62/85/44/546628544.db2.gz YCQDTJGSMFMNKK-UHFFFAOYSA-N 1 0 369.469 2.235 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(C)nc3C)cc2F)CC1 ZINC000180455233 547109793 /nfs/dbraw/zinc/10/97/93/547109793.db2.gz AJWQWKCFTBRLSD-UHFFFAOYSA-N 1 0 371.460 2.304 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1 ZINC000181116627 547252276 /nfs/dbraw/zinc/25/22/76/547252276.db2.gz AHLDEKLXXKZXTN-UHFFFAOYSA-N 1 0 370.515 2.331 20 10 FECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2)CC1 ZINC000184278106 547799707 /nfs/dbraw/zinc/79/97/07/547799707.db2.gz AMTJRQBFJZDXTQ-UHFFFAOYSA-N 1 0 365.437 2.250 20 10 FECDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000184995288 547914125 /nfs/dbraw/zinc/91/41/25/547914125.db2.gz BXRHNJFVJUIVHR-NSHDSACASA-N 1 0 370.291 2.016 20 10 FECDRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cc(F)ccc1O ZINC000185161489 547943418 /nfs/dbraw/zinc/94/34/18/547943418.db2.gz PAKCHIMVQHTGNK-ZDUSSCGKSA-N 1 0 352.431 2.302 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1CC[NH+](C2CC2)CC1 ZINC000195364958 548630139 /nfs/dbraw/zinc/63/01/39/548630139.db2.gz LTLCRMJRFIYLRK-UHFFFAOYSA-N 1 0 361.461 2.153 20 10 FECDRO Nc1ccc(CCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000237933234 548865645 /nfs/dbraw/zinc/86/56/45/548865645.db2.gz POWNAZZBBIGCOD-UHFFFAOYSA-N 1 0 352.482 2.140 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238175228 548880608 /nfs/dbraw/zinc/88/06/08/548880608.db2.gz BRPQWNBZCGTTKJ-GIVPXCGWSA-N 1 0 371.525 2.432 20 10 FECDRO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000246681003 549187538 /nfs/dbraw/zinc/18/75/38/549187538.db2.gz VVHHGEYCBKSPJS-YLJYHZDGSA-N 1 0 369.513 2.491 20 10 FECDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C)ccc3O)CC2)n1 ZINC000247228706 549302059 /nfs/dbraw/zinc/30/20/59/549302059.db2.gz WFIMMLQEUAEVNA-HNNXBMFYSA-N 1 0 360.458 2.499 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000264679146 549999569 /nfs/dbraw/zinc/99/95/69/549999569.db2.gz YZUNWYPIGCOAIW-XCBOUCJHSA-N 1 0 355.482 2.279 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000265671517 550013237 /nfs/dbraw/zinc/01/32/37/550013237.db2.gz XNRZWROFZFZHIU-UHFFFAOYSA-N 1 0 358.530 2.319 20 10 FECDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C2CC2)cc1 ZINC000267928584 550036164 /nfs/dbraw/zinc/03/61/64/550036164.db2.gz KWSXMYPTEVQTAP-QGZVFWFLSA-N 1 0 365.543 2.389 20 10 FECDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197465 550037844 /nfs/dbraw/zinc/03/78/44/550037844.db2.gz NZHXABINNPQSBF-AHEMIPHESA-N 1 0 355.482 2.135 20 10 FECDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000268967076 550138510 /nfs/dbraw/zinc/13/85/10/550138510.db2.gz YSGATEKUJYYXLN-WBVHZDCISA-N 1 0 351.466 2.034 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000271745938 550399183 /nfs/dbraw/zinc/39/91/83/550399183.db2.gz QWYNMICSSAPROD-GFCCVEGCSA-N 1 0 351.447 2.390 20 10 FECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(OC)c(OC)cc1O)CC2 ZINC000271883670 550408159 /nfs/dbraw/zinc/40/81/59/550408159.db2.gz VTAAPFIJANGXFA-ROUUACIJSA-N 1 0 351.443 2.161 20 10 FECDRO C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273348294 550495144 /nfs/dbraw/zinc/49/51/44/550495144.db2.gz BHFXHRHONFIFJM-CYBMUJFWSA-N 1 0 360.414 2.487 20 10 FECDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367774 550495949 /nfs/dbraw/zinc/49/59/49/550495949.db2.gz BWJJOWZITNMJBJ-FZMZJTMJSA-N 1 0 370.291 2.145 20 10 FECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000273417892 550497990 /nfs/dbraw/zinc/49/79/90/550497990.db2.gz REIFOMDQNDTQEV-QAPCUYQASA-N 1 0 363.502 2.101 20 10 FECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000273456525 550499176 /nfs/dbraw/zinc/49/91/76/550499176.db2.gz HCENDUCCQMLMSZ-IRWQIABSSA-N 1 0 362.470 2.207 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2F)CC1 ZINC000273561522 550503096 /nfs/dbraw/zinc/50/30/96/550503096.db2.gz BPHFFRHOUAJDEH-UHFFFAOYSA-N 1 0 360.393 2.278 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275140616 550570554 /nfs/dbraw/zinc/57/05/54/550570554.db2.gz VFNMZUUODIYUAJ-SNVBAGLBSA-N 1 0 362.323 2.234 20 10 FECDRO COc1cc(O)c(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1OC ZINC000278241133 550764420 /nfs/dbraw/zinc/76/44/20/550764420.db2.gz KXZOEORUYSBLAC-AWEZNQCLSA-N 1 0 350.459 2.095 20 10 FECDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)s1 ZINC000280566316 551008499 /nfs/dbraw/zinc/00/84/99/551008499.db2.gz LIQZIFQEFRYERH-UHFFFAOYSA-N 1 0 355.437 2.266 20 10 FECDRO COc1c(O)c(C[NH2+][C@@]2(CO)CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000282411688 551225042 /nfs/dbraw/zinc/22/50/42/551225042.db2.gz SEYYKELGRWMNEE-GOSISDBHSA-N 1 0 360.366 2.069 20 10 FECDRO COc1cc(O)c(C[NH2+]Cc2ccccc2Cn2cncn2)cc1OC ZINC000282911808 551284519 /nfs/dbraw/zinc/28/45/19/551284519.db2.gz DKVZTMYIGYWGPO-UHFFFAOYSA-N 1 0 354.410 2.339 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000284899951 551662403 /nfs/dbraw/zinc/66/24/03/551662403.db2.gz CELCKVJMGMZETM-INIZCTEOSA-N 1 0 373.497 2.121 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCC[C@H]1SCC)cc2=O ZINC000285591622 551779766 /nfs/dbraw/zinc/77/97/66/551779766.db2.gz BLTOONKXAJASHX-ZIAGYGMSSA-N 1 0 364.471 2.375 20 10 FECDRO CCn1cnc2c(c1=O)CCN(Cc1cc(Cl)cc(C(C)=O)c1O)C2 ZINC000286078688 551846178 /nfs/dbraw/zinc/84/61/78/551846178.db2.gz KAJNGLXFSVHQEB-UHFFFAOYSA-N 1 0 361.829 2.383 20 10 FECDRO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000289085490 552263360 /nfs/dbraw/zinc/26/33/60/552263360.db2.gz BEBLUBUUZNSMCQ-UHFFFAOYSA-N 1 0 365.543 2.438 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](CSC)C1)cc2=O ZINC000292513018 552733902 /nfs/dbraw/zinc/73/39/02/552733902.db2.gz VRWBLBULKMTZGL-GFCCVEGCSA-N 1 0 364.471 2.187 20 10 FECDRO Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c(O)c1 ZINC000294652597 552923971 /nfs/dbraw/zinc/92/39/71/552923971.db2.gz GUPCUVNYBPVWRL-JKSUJKDBSA-N 1 0 370.515 2.148 20 10 FECDRO COCCOC1(C[NH2+]Cc2cc(Br)ccc2O)CCOCC1 ZINC000294819946 552936649 /nfs/dbraw/zinc/93/66/49/552936649.db2.gz OUHQUTVCKQDMFF-UHFFFAOYSA-N 1 0 374.275 2.457 20 10 FECDRO COC1CCN(c2ccc(CN3CC[NH+](C[C@H]4CCOC4)CC3)cc2)CC1 ZINC000295086066 552957624 /nfs/dbraw/zinc/95/76/24/552957624.db2.gz RPZHRSAXCZQQIW-HXUWFJFHSA-N 1 0 373.541 2.456 20 10 FECDRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296701396 553200198 /nfs/dbraw/zinc/20/01/98/553200198.db2.gz HQOXTTGFWBZYOI-CYBMUJFWSA-N 1 0 360.426 2.234 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000298580356 553443858 /nfs/dbraw/zinc/44/38/58/553443858.db2.gz GBVVYGNKVRVCJF-KRWDZBQOSA-N 1 0 361.486 2.074 20 10 FECDRO c1cc(N2CCC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)ncn1 ZINC000363009859 555009166 /nfs/dbraw/zinc/00/91/66/555009166.db2.gz AVDTUVCXLINNAX-SFHVURJKSA-N 1 0 353.470 2.072 20 10 FECDRO Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCCN2C)cn1 ZINC000363177513 555046641 /nfs/dbraw/zinc/04/66/41/555046641.db2.gz VHUMSXXZVXUVAX-YJYMSZOUSA-N 1 0 358.442 2.027 20 10 FECDRO O=C(CSc1nccs1)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000363215067 555055677 /nfs/dbraw/zinc/05/56/77/555055677.db2.gz LJTQQCDDHHDLBA-HNNXBMFYSA-N 1 0 363.508 2.252 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000363367649 555087095 /nfs/dbraw/zinc/08/70/95/555087095.db2.gz SSXRKRHCLFIJJE-UHFFFAOYSA-N 1 0 359.430 2.401 20 10 FECDRO COc1cc(Cl)cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c1O ZINC000363909057 555211290 /nfs/dbraw/zinc/21/12/90/555211290.db2.gz MUAKMGDJNWQKID-CVEARBPZSA-N 1 0 354.878 2.475 20 10 FECDRO Cn1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000364689719 555375860 /nfs/dbraw/zinc/37/58/60/555375860.db2.gz YVQHBJLUWDSZQH-INIZCTEOSA-N 1 0 362.861 2.102 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@@H](CCSC)C(=O)N(C)C)CC2)cc1 ZINC000367882982 556163904 /nfs/dbraw/zinc/16/39/04/556163904.db2.gz ASQXCTIBFXKMRX-SFHVURJKSA-N 1 0 365.543 2.464 20 10 FECDRO O=C1CCN(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000368600634 556358935 /nfs/dbraw/zinc/35/89/35/556358935.db2.gz CDXBQSXSOAOKFW-UHFFFAOYSA-N 1 0 353.413 2.469 20 10 FECDRO COCCC[N@@H+]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000369654296 556659637 /nfs/dbraw/zinc/65/96/37/556659637.db2.gz CNTYUZQDKJJKBP-UHFFFAOYSA-N 1 0 366.481 2.146 20 10 FECDRO COc1ccc(N2CCC[N@@H+]([C@H](Cc3ccc(F)cc3)C(N)=O)CC2)cc1 ZINC000371689558 557263765 /nfs/dbraw/zinc/26/37/65/557263765.db2.gz QHTKGIBJWFCINH-HXUWFJFHSA-N 1 0 371.456 2.443 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2nc[nH]n2)C1 ZINC000518680399 562116377 /nfs/dbraw/zinc/11/63/77/562116377.db2.gz WLZKZAWYRCURLO-CQSZACIVSA-N 1 0 366.469 2.403 20 10 FECDRO CC[C@H](c1ccccc1O)[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000372293668 557431833 /nfs/dbraw/zinc/43/18/33/557431833.db2.gz FUQVCWFIRQKDAB-GOSISDBHSA-N 1 0 373.497 2.279 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c1 ZINC000372301239 557434007 /nfs/dbraw/zinc/43/40/07/557434007.db2.gz MAWHEXBYVPFKGN-CYBMUJFWSA-N 1 0 358.442 2.090 20 10 FECDRO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCOC[C@H]1C1CC1 ZINC000372319379 557438696 /nfs/dbraw/zinc/43/86/96/557438696.db2.gz SMBZIYMGVVPVLV-MOPGFXCFSA-N 1 0 374.481 2.011 20 10 FECDRO CCOc1cccc(C[NH+]2C[C@@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1O ZINC000372428742 557468013 /nfs/dbraw/zinc/46/80/13/557468013.db2.gz QOCOLGWTPHNJHZ-HZPDHXFCSA-N 1 0 372.469 2.300 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@@H]3C2)c1 ZINC000372428943 557468401 /nfs/dbraw/zinc/46/84/01/557468401.db2.gz SNHOGUXQYPUGGG-HOTGVXAUSA-N 1 0 372.469 2.300 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH+]2CCN(C3(C(N)=O)CCCCC3)CC2)c1 ZINC000372512626 557489543 /nfs/dbraw/zinc/48/95/43/557489543.db2.gz IUTUEWBPBVVGBB-HNNXBMFYSA-N 1 0 361.486 2.268 20 10 FECDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000374514294 557893543 /nfs/dbraw/zinc/89/35/43/557893543.db2.gz NUHURSUIXOUVNZ-UCLAIMLFSA-N 1 0 361.461 2.466 20 10 FECDRO COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Br)ccc1O ZINC000374896072 557947333 /nfs/dbraw/zinc/94/73/33/557947333.db2.gz KMPNVFULJMETIK-QWHCGFSZSA-N 1 0 358.232 2.307 20 10 FECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1 ZINC000375556373 558047838 /nfs/dbraw/zinc/04/78/38/558047838.db2.gz FJMIOYLLDJAOJB-CQSZACIVSA-N 1 0 372.469 2.088 20 10 FECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000377640204 558383897 /nfs/dbraw/zinc/38/38/97/558383897.db2.gz MGTROLREPILNPH-OAHLLOKOSA-N 1 0 355.438 2.258 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1F ZINC000377651486 558387045 /nfs/dbraw/zinc/38/70/45/558387045.db2.gz ULIPTHQVRSJLTD-HNNXBMFYSA-N 1 0 356.445 2.359 20 10 FECDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000378442627 558558555 /nfs/dbraw/zinc/55/85/55/558558555.db2.gz KSGQCWSEUZLRFO-HUUCEWRRSA-N 1 0 362.470 2.249 20 10 FECDRO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)C[C@H](C)O1 ZINC000378498451 558570177 /nfs/dbraw/zinc/57/01/77/558570177.db2.gz SCQBOWCITYTCBF-OKILXGFUSA-N 1 0 350.434 2.379 20 10 FECDRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000808433974 674458825 /nfs/dbraw/zinc/45/88/25/674458825.db2.gz UDFLSTALPUDSAW-KRWDZBQOSA-N 1 0 358.463 2.174 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210295 608500456 /nfs/dbraw/zinc/50/04/56/608500456.db2.gz LVBQXVSXBGGGFW-GFCCVEGCSA-N 1 0 355.398 2.311 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=S)NC3CCC3)CC2)cc1 ZINC000814191378 674824963 /nfs/dbraw/zinc/82/49/63/674824963.db2.gz HDEMSPBVQYENLV-UHFFFAOYSA-N 1 0 362.543 2.224 20 10 FECDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000817155388 675106712 /nfs/dbraw/zinc/10/67/12/675106712.db2.gz XNLIWHXLURGAMD-SFHVURJKSA-N 1 0 362.543 2.475 20 10 FECDRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000125812577 672016784 /nfs/dbraw/zinc/01/67/84/672016784.db2.gz VJHJGECFOZVZPA-KXBFYZLASA-N 1 0 352.450 2.102 20 10 FECDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000129234779 672059231 /nfs/dbraw/zinc/05/92/31/672059231.db2.gz FMRSWTQHWCEIKQ-UHFFFAOYSA-N 1 0 353.894 2.422 20 10 FECDRO O=S1(=O)CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000291283718 672994738 /nfs/dbraw/zinc/99/47/38/672994738.db2.gz YZFPNRYBUMBXDQ-CQSZACIVSA-N 1 0 374.453 2.424 20 10 FECDRO COc1cccc(C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)c1O ZINC000725847362 673094303 /nfs/dbraw/zinc/09/43/03/673094303.db2.gz IVLKQZRXWOOCEP-UHFFFAOYSA-N 1 0 364.467 2.377 20 10 FECDRO COc1ccccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000733330636 673410090 /nfs/dbraw/zinc/41/00/90/673410090.db2.gz GJFPTONLZKYMLP-UHFFFAOYSA-N 1 0 360.479 2.220 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C3CCS(=O)(=O)CC3)C2)cc1 ZINC000818342121 675215738 /nfs/dbraw/zinc/21/57/38/675215738.db2.gz LWARQKZVPOLEQD-JKSUJKDBSA-N 1 0 366.527 2.324 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1 ZINC000822818089 675509048 /nfs/dbraw/zinc/50/90/48/675509048.db2.gz JOKWQXPHKOHXIK-STQMWFEESA-N 1 0 354.447 2.279 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000825406469 675651386 /nfs/dbraw/zinc/65/13/86/675651386.db2.gz SNYCDLZDQQQGKN-CZUORRHYSA-N 1 0 359.875 2.180 20 10 FECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000825412741 675651561 /nfs/dbraw/zinc/65/15/61/675651561.db2.gz NVMKUDXPQQXPGO-CYBMUJFWSA-N 1 0 358.232 2.166 20 10 FECDRO CNS(=O)(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827794763 675779085 /nfs/dbraw/zinc/77/90/85/675779085.db2.gz QMJXBFPCIIAHEE-UHFFFAOYSA-N 1 0 365.543 2.499 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)ccc1N1CCCCC1 ZINC000828300759 675811670 /nfs/dbraw/zinc/81/16/70/675811670.db2.gz QQOPJVDGXOOBAK-QGZVFWFLSA-N 1 0 351.516 2.238 20 10 FECDRO CCOc1cccc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1O ZINC000839177212 680743037 /nfs/dbraw/zinc/74/30/37/680743037.db2.gz XUOVGZPPRHZMTB-MRXNPFEDSA-N 1 0 351.443 2.296 20 10 FECDRO CCCNC(=O)CN1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840875197 680848592 /nfs/dbraw/zinc/84/85/92/680848592.db2.gz FMBIQPRTSQHQFG-UHFFFAOYSA-N 1 0 353.894 2.434 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(Cl)c1 ZINC000840902713 680851505 /nfs/dbraw/zinc/85/15/05/680851505.db2.gz SJVOHUGFLDDGEQ-DIFFPNOSSA-N 1 0 351.834 2.164 20 10 FECDRO CC(C)(CC[NH2+]Cc1cc(Br)ccc1O)S(C)(=O)=O ZINC000840960218 680857285 /nfs/dbraw/zinc/85/72/85/680857285.db2.gz GWIAMHXTLDBLHH-UHFFFAOYSA-N 1 0 350.278 2.458 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918932 680859407 /nfs/dbraw/zinc/85/94/07/680859407.db2.gz YOZPGLHAQRXTBU-DOTOQJQBSA-N 1 0 366.937 2.073 20 10 FECDRO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1 ZINC000841061125 680861538 /nfs/dbraw/zinc/86/15/38/680861538.db2.gz VTJVHZCNWORRTQ-UHFFFAOYSA-N 1 0 364.496 2.100 20 10 FECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071067 680861828 /nfs/dbraw/zinc/86/18/28/680861828.db2.gz VEUMAIUVVHJQCG-GFCCVEGCSA-N 1 0 355.763 2.110 20 10 FECDRO CCCCNC(=S)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000747766090 679902008 /nfs/dbraw/zinc/90/20/08/679902008.db2.gz SHGMUNVYNXIBLZ-UHFFFAOYSA-N 1 0 364.559 2.472 20 10 FECDRO CCC[C@@H](O)CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000750299663 680109640 /nfs/dbraw/zinc/10/96/40/680109640.db2.gz BSYBRUKFRNZUDW-MRXNPFEDSA-N 1 0 351.466 2.135 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cncc(Br)c2)cc1 ZINC000832292423 680120732 /nfs/dbraw/zinc/12/07/32/680120732.db2.gz GXLYZDFBAROLQV-OAHLLOKOSA-N 1 0 363.259 2.340 20 10 FECDRO O=S(=O)(NCC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1F ZINC000834789210 680267533 /nfs/dbraw/zinc/26/75/33/680267533.db2.gz ANNCOXHIYUOTER-CQSZACIVSA-N 1 0 368.405 2.226 20 10 FECDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754738375 680374198 /nfs/dbraw/zinc/37/41/98/680374198.db2.gz AEBNHTYBEIRZJE-AWEZNQCLSA-N 1 0 370.515 2.212 20 10 FECDRO CC(C)C[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(=O)NCC[NH+](C)C ZINC000756858350 680501965 /nfs/dbraw/zinc/50/19/65/680501965.db2.gz OCYGLEUCMCIPKU-WBMJQRKESA-N 1 0 357.445 2.414 20 10 FECDRO C[NH2+]CCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841844204 680914500 /nfs/dbraw/zinc/91/45/00/680914500.db2.gz UOLFMBVULXOACV-ZDUSSCGKSA-N 1 0 356.417 2.166 20 10 FECDRO C[C@]1(CNC(=O)NCc2cccc(Br)c2O)CCC[NH2+]C1 ZINC000841969522 680919452 /nfs/dbraw/zinc/91/94/52/680919452.db2.gz DUUQDSKSDAIJOI-HNNXBMFYSA-N 1 0 356.264 2.344 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1F ZINC000842721808 680962123 /nfs/dbraw/zinc/96/21/23/680962123.db2.gz LVOZNGFQXQGHLL-CQSZACIVSA-N 1 0 364.442 2.216 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843377165 681000580 /nfs/dbraw/zinc/00/05/80/681000580.db2.gz QANVTEKGERYFLV-OAHLLOKOSA-N 1 0 367.877 2.068 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](OC)C(C)C)cc2F)CC1 ZINC000769928908 681000963 /nfs/dbraw/zinc/00/09/63/681000963.db2.gz FVFBKXUYNTXZMW-SFHVURJKSA-N 1 0 351.466 2.255 20 10 FECDRO Cc1cc(C(=O)NC[C@H](C)[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843474896 681005707 /nfs/dbraw/zinc/00/57/07/681005707.db2.gz YHLMDIPIJMEHGY-VIFPVBQESA-N 1 0 351.248 2.329 20 10 FECDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000844172342 681043059 /nfs/dbraw/zinc/04/30/59/681043059.db2.gz GCAAFABUJVIRKH-ZXTQRBJTSA-N 1 0 351.466 2.429 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(F)cn1 ZINC000771391572 681053799 /nfs/dbraw/zinc/05/37/99/681053799.db2.gz RVJXNWTUTRCVHE-CQSZACIVSA-N 1 0 363.458 2.306 20 10 FECDRO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258124 681290936 /nfs/dbraw/zinc/29/09/36/681290936.db2.gz QTQHSFIZXCPOMP-MRXNPFEDSA-N 1 0 354.516 2.387 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c1O ZINC000848552109 681576148 /nfs/dbraw/zinc/57/61/48/681576148.db2.gz HETPSYVIAKGIFQ-RFAUZJTJSA-N 1 0 357.248 2.483 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NCC(F)F)c1O ZINC000848549540 681576259 /nfs/dbraw/zinc/57/62/59/681576259.db2.gz QTWCMUWGQMPPCA-ZETCQYMHSA-N 1 0 367.190 2.195 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCS(=O)(=O)CC1 ZINC000779008006 681672217 /nfs/dbraw/zinc/67/22/17/681672217.db2.gz BLQKYTRFYPUCTB-JKSUJKDBSA-N 1 0 366.527 2.387 20 10 FECDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCN(CC(F)(F)F)C3)cc2)CC1 ZINC000850406040 681898604 /nfs/dbraw/zinc/89/86/04/681898604.db2.gz PEJAHOYVTCLBDY-HNNXBMFYSA-N 1 0 357.420 2.374 20 10 FECDRO CC[C@H](CO)[NH+]1CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC000781914742 681988574 /nfs/dbraw/zinc/98/85/74/681988574.db2.gz ZIUNSFTWAKGHKR-CQSZACIVSA-N 1 0 357.292 2.352 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1O ZINC000783508611 682148239 /nfs/dbraw/zinc/14/82/39/682148239.db2.gz FVTCKNVLHPVXCI-HNNXBMFYSA-N 1 0 360.479 2.478 20 10 FECDRO CC(C)([NH3+])c1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)on1 ZINC000852859801 682350661 /nfs/dbraw/zinc/35/06/61/682350661.db2.gz ASBOCIDVWYGYFG-UHFFFAOYSA-N 1 0 360.483 2.352 20 10 FECDRO COCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCOC1 ZINC000787336144 682451355 /nfs/dbraw/zinc/45/13/55/682451355.db2.gz ZJWYCVSYGBIXFI-ZDUSSCGKSA-N 1 0 360.248 2.401 20 10 FECDRO O=C(NCCCSc1nccs1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853857395 682479975 /nfs/dbraw/zinc/47/99/75/682479975.db2.gz BAFUBPOJPSTPLI-CQSZACIVSA-N 1 0 370.544 2.178 20 10 FECDRO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(=O)OC ZINC000790788475 682701789 /nfs/dbraw/zinc/70/17/89/682701789.db2.gz YUJAZIBLUZOXTB-CABCVRRESA-N 1 0 368.861 2.325 20 10 FECDRO C[C@@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)NC(=O)OC(C)(C)C ZINC000863333011 683707083 /nfs/dbraw/zinc/70/70/83/683707083.db2.gz NEUXBPYBGGSOMI-NHYWBVRUSA-N 1 0 352.431 2.163 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1O ZINC000865656268 684010916 /nfs/dbraw/zinc/01/09/16/684010916.db2.gz SXJMJJGRYJEKGP-ZDUSSCGKSA-N 1 0 373.291 2.098 20 10 FECDRO C[C@@H]([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1O ZINC000931553314 684301925 /nfs/dbraw/zinc/30/19/25/684301925.db2.gz BKUADNSIGKQSIV-CZUORRHYSA-N 1 0 370.515 2.044 20 10 FECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CCN(S(C)(=O)=O)CC1 ZINC000924869568 684501086 /nfs/dbraw/zinc/50/10/86/684501086.db2.gz HSDWMCPXEIEKLD-HNNXBMFYSA-N 1 0 365.543 2.219 20 10 FECDRO C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000872201356 684926793 /nfs/dbraw/zinc/92/67/93/684926793.db2.gz XXGZQRFTSZKRTG-MOPGFXCFSA-N 1 0 350.528 2.241 20 10 FECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4CS(=O)(=O)C[C@H]4C3)c2c1 ZINC000872797200 685016971 /nfs/dbraw/zinc/01/69/71/685016971.db2.gz XLUIBCFARKGKMP-LSDHHAIUSA-N 1 0 361.463 2.421 20 10 FECDRO CCCOc1ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1C ZINC000873048109 685058681 /nfs/dbraw/zinc/05/86/81/685058681.db2.gz PHZVMFHWLIOEFN-UHFFFAOYSA-N 1 0 368.543 2.382 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000911666481 685241407 /nfs/dbraw/zinc/24/14/07/685241407.db2.gz ILMLWTHDBJUBBB-KFWWJZLASA-N 1 0 359.392 2.369 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000877593123 686417953 /nfs/dbraw/zinc/41/79/53/686417953.db2.gz YYBHTSINLRCSGQ-ZDUSSCGKSA-N 1 0 351.472 2.022 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000877592036 686418208 /nfs/dbraw/zinc/41/82/08/686418208.db2.gz KNONKKLEFLKNIV-HNNXBMFYSA-N 1 0 361.511 2.429 20 10 FECDRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000879653001 686879594 /nfs/dbraw/zinc/87/95/94/686879594.db2.gz JRGWSXZMPJBLMA-AWEZNQCLSA-N 1 0 364.467 2.372 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ocnc3C(F)F)cc2)CC1 ZINC000881855472 687235501 /nfs/dbraw/zinc/23/55/01/687235501.db2.gz XLORCQUOIRJOHE-UHFFFAOYSA-N 1 0 350.369 2.294 20 10 FECDRO Cc1cc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)o1 ZINC000882663048 687431526 /nfs/dbraw/zinc/43/15/26/687431526.db2.gz QEBGTFYNLQFMOD-UHFFFAOYSA-N 1 0 363.483 2.127 20 10 FECDRO CN(Cc1ccns1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889658162 688803191 /nfs/dbraw/zinc/80/31/91/688803191.db2.gz ALJODUHVZCHSPJ-UHFFFAOYSA-N 1 0 359.499 2.237 20 10 FECDRO COC(=O)[C@@H]1[C@@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1(F)F ZINC000893879795 689422558 /nfs/dbraw/zinc/42/25/58/689422558.db2.gz JKGFMNOHPDZXPP-LZWOXQAQSA-N 1 0 355.381 2.428 20 10 FECDRO COC(=O)[C@@H]1[C@@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1(F)F ZINC000894216916 689488149 /nfs/dbraw/zinc/48/81/49/689488149.db2.gz WQCVUTOJYPIAGG-CVEARBPZSA-N 1 0 354.397 2.308 20 10 FECDRO CC(C)OCCONC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895002037 689637735 /nfs/dbraw/zinc/63/77/35/689637735.db2.gz BMGLXLCMPMNKAA-QGZVFWFLSA-N 1 0 352.479 2.011 20 10 FECDRO CNC(=O)C1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCOCC1 ZINC000895883546 689788184 /nfs/dbraw/zinc/78/81/84/689788184.db2.gz DLJHBFLUOSZZSH-UHFFFAOYSA-N 1 0 350.459 2.083 20 10 FECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c(O)c1OC ZINC000896054442 689812972 /nfs/dbraw/zinc/81/29/72/689812972.db2.gz JQJNHSWONMKBCA-QRDCCXFBSA-N 1 0 351.443 2.472 20 10 FECDRO O=c1cc(N2CC[C@@H]([NH2+]Cc3cc(Br)ccc3O)C2)nc[nH]1 ZINC000898159450 690136511 /nfs/dbraw/zinc/13/65/11/690136511.db2.gz YPDWEABXPFXUKV-GFCCVEGCSA-N 1 0 365.231 2.019 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3scnc3C)CC2)cc1 ZINC000046786997 540270849 /nfs/dbraw/zinc/27/08/49/540270849.db2.gz MYRRZVQGPFLGSI-UHFFFAOYSA-N 1 0 374.510 2.402 20 10 FECDRO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466736 540467264 /nfs/dbraw/zinc/46/72/64/540467264.db2.gz VGBXSIPTZWUVIC-KRWDZBQOSA-N 1 0 363.502 2.139 20 10 FECDRO CC(C)C[N@@H+]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000077362036 542372979 /nfs/dbraw/zinc/37/29/79/542372979.db2.gz PLTTZSQKXQPZMQ-UHFFFAOYSA-N 1 0 360.546 2.375 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1O ZINC000079434358 542518518 /nfs/dbraw/zinc/51/85/18/542518518.db2.gz CRPXZJXRONWIPP-OAHLLOKOSA-N 1 0 350.434 2.278 20 10 FECDRO COc1ccc(N2CCCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000079618374 542532157 /nfs/dbraw/zinc/53/21/57/542532157.db2.gz DWCGJDLYJWTOML-KRWDZBQOSA-N 1 0 372.513 2.401 20 10 FECDRO C[C@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[N@H+](C)C1CC1 ZINC000105162974 543162434 /nfs/dbraw/zinc/16/24/34/543162434.db2.gz GGMNXVXOVVRHSB-MRXNPFEDSA-N 1 0 374.529 2.177 20 10 FECDRO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC000112583495 543453048 /nfs/dbraw/zinc/45/30/48/543453048.db2.gz DIEKSMIDLYXMIO-CQSZACIVSA-N 1 0 356.422 2.316 20 10 FECDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000115808137 543587540 /nfs/dbraw/zinc/58/75/40/543587540.db2.gz JWWOOXDATRJLAX-SFHVURJKSA-N 1 0 360.502 2.006 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCOC(C)C)CC2)cc1 ZINC000120972425 543687134 /nfs/dbraw/zinc/68/71/34/543687134.db2.gz YKRQIQSOOGNOKS-UHFFFAOYSA-N 1 0 363.502 2.139 20 10 FECDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000121152716 543690377 /nfs/dbraw/zinc/69/03/77/543690377.db2.gz PAIFARKDSXDWPD-NSSMGOSVSA-N 1 0 357.498 2.335 20 10 FECDRO C[NH+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000133783070 544283400 /nfs/dbraw/zinc/28/34/00/544283400.db2.gz OSTHLHAEQABQGO-ZDUSSCGKSA-N 1 0 356.417 2.118 20 10 FECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1=COCCO1 ZINC000134265846 544300880 /nfs/dbraw/zinc/30/08/80/544300880.db2.gz IMAYDQSZUROHBH-AWEZNQCLSA-N 1 0 352.818 2.014 20 10 FECDRO O=C(CCn1cccn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000153996649 544849722 /nfs/dbraw/zinc/84/97/22/544849722.db2.gz GZNHMVMYMBCDNX-INIZCTEOSA-N 1 0 362.861 2.413 20 10 FECDRO CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000806171170 674369729 /nfs/dbraw/zinc/36/97/29/674369729.db2.gz VVUDJNAJXRORRB-SJLPKXTDSA-N 1 0 368.547 2.064 20 10 FECDRO CC(C)[N@H+]1C[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000155771492 545567988 /nfs/dbraw/zinc/56/79/88/545567988.db2.gz UNGYCYURNAFWAC-NSSMGOSVSA-N 1 0 357.498 2.381 20 10 FECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000156844016 545669400 /nfs/dbraw/zinc/66/94/00/545669400.db2.gz VVJBEAMKLUQYAG-UHFFFAOYSA-N 1 0 368.529 2.317 20 10 FECDRO COc1cc(O)c(CN2CCNC(=O)C[C@@H]2c2ccccc2)cc1OC ZINC000159954525 545995271 /nfs/dbraw/zinc/99/52/71/545995271.db2.gz AKSAZGYUSOYLJT-MRXNPFEDSA-N 1 0 356.422 2.473 20 10 FECDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)n1-c1ccccn1 ZINC000160616950 546057215 /nfs/dbraw/zinc/05/72/15/546057215.db2.gz PKUVWIAZAUYSMI-QGZVFWFLSA-N 1 0 356.470 2.066 20 10 FECDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160967177 546089374 /nfs/dbraw/zinc/08/93/74/546089374.db2.gz LOYIYRYIIBKYBA-HNNXBMFYSA-N 1 0 368.481 2.209 20 10 FECDRO CCC[N@H+](CC)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000175781049 546349742 /nfs/dbraw/zinc/34/97/42/546349742.db2.gz TWVVKCHNPUIHAH-UHFFFAOYSA-N 1 0 362.518 2.397 20 10 FECDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000175787903 546350730 /nfs/dbraw/zinc/35/07/30/546350730.db2.gz LQPOXZCFLOJULG-FQEVSTJZSA-N 1 0 359.514 2.478 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000180727831 547168257 /nfs/dbraw/zinc/16/82/57/547168257.db2.gz VSFXBVPPKJFIKL-FZKQIMNGSA-N 1 0 361.442 2.089 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000182631242 547524397 /nfs/dbraw/zinc/52/43/97/547524397.db2.gz FUYWIEAEZSASGV-UHFFFAOYSA-N 1 0 358.891 2.400 20 10 FECDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cccc(O)c3O)CC2)C[C@H](C)O1 ZINC000187170033 548252139 /nfs/dbraw/zinc/25/21/39/548252139.db2.gz NTHCZTMJSNLLTP-GASCZTMLSA-N 1 0 362.470 2.449 20 10 FECDRO COc1ccc(N2CCCN(C(=O)c3csc(CC[NH3+])n3)CC2)cc1 ZINC000194830320 548537622 /nfs/dbraw/zinc/53/76/22/548537622.db2.gz SWTMMYNFSMZIGZ-UHFFFAOYSA-N 1 0 360.483 2.005 20 10 FECDRO CC(C)[N@@H+]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264547070 549997858 /nfs/dbraw/zinc/99/78/58/549997858.db2.gz KCSWQLPQAYMSSS-RMKNXTFCSA-N 1 0 357.498 2.479 20 10 FECDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2C)cc1 ZINC000264704612 550000350 /nfs/dbraw/zinc/00/03/50/550000350.db2.gz DOFSSIZQEUMDSD-SFHVURJKSA-N 1 0 370.497 2.078 20 10 FECDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000266431667 550020289 /nfs/dbraw/zinc/02/02/89/550020289.db2.gz SKGUJCZPZOJELX-AIADIJKESA-N 1 0 357.498 2.337 20 10 FECDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000267427164 550031513 /nfs/dbraw/zinc/03/15/13/550031513.db2.gz BOUOPBXQBMAKJH-TZMCWYRMSA-N 1 0 366.433 2.097 20 10 FECDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000273484158 550500011 /nfs/dbraw/zinc/50/00/11/550500011.db2.gz RATPDDVKURAOBN-QGZVFWFLSA-N 1 0 374.529 2.395 20 10 FECDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623166 550505975 /nfs/dbraw/zinc/50/59/75/550505975.db2.gz ZSTPJJILSCSZLC-BXUZGUMPSA-N 1 0 370.291 2.145 20 10 FECDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278166059 550756358 /nfs/dbraw/zinc/75/63/58/550756358.db2.gz FFBXJALPOKXCNA-MRXNPFEDSA-N 1 0 362.382 2.483 20 10 FECDRO C[C@]([NH3+])(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000278253741 550765768 /nfs/dbraw/zinc/76/57/68/550765768.db2.gz MWRJHGJRMLEORV-OAQYLSRUSA-N 1 0 371.456 2.277 20 10 FECDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cc(OCC)ccc3O)CC2)n1 ZINC000278572980 550800368 /nfs/dbraw/zinc/80/03/68/550800368.db2.gz CEQKHYGQFIYNJY-UHFFFAOYSA-N 1 0 374.441 2.465 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccnc3F)CC2)cc1 ZINC000279285932 550873435 /nfs/dbraw/zinc/87/34/35/550873435.db2.gz XLNWWKDMQIFRRO-UHFFFAOYSA-N 1 0 372.444 2.171 20 10 FECDRO C[C@H]1C[C@@H](C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC[NH2+]1 ZINC000279871449 550938027 /nfs/dbraw/zinc/93/80/27/550938027.db2.gz DKFFEHOAYGAWKY-JKQORVJESA-N 1 0 363.477 2.444 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282927084 551286086 /nfs/dbraw/zinc/28/60/86/551286086.db2.gz FPGOHXKLACRESW-INIZCTEOSA-N 1 0 356.422 2.170 20 10 FECDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287093441 551962488 /nfs/dbraw/zinc/96/24/88/551962488.db2.gz YSZSDUKRMPTKTB-YLJYHZDGSA-N 1 0 372.513 2.291 20 10 FECDRO CCN(CC)c1ccc(CN(CCOC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000290620457 552508047 /nfs/dbraw/zinc/50/80/47/552508047.db2.gz XEBHMWRCPHVORN-SFHVURJKSA-N 1 0 354.516 2.168 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C=O)c[nH]3)cc2F)CC1 ZINC000293510809 552830955 /nfs/dbraw/zinc/83/09/55/552830955.db2.gz VKWVZWWMWGSYLH-UHFFFAOYSA-N 1 0 358.417 2.038 20 10 FECDRO COC1CCN(c2ccc(C[NH+]3CCN(c4cnn(C)c4)CC3)cc2)CC1 ZINC000294901598 552942763 /nfs/dbraw/zinc/94/27/63/552942763.db2.gz HBVXNWBJWDIOIC-UHFFFAOYSA-N 1 0 369.513 2.358 20 10 FECDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000295139978 552962802 /nfs/dbraw/zinc/96/28/02/552962802.db2.gz ZKTXXHYXQDUCLI-HNNXBMFYSA-N 1 0 358.232 2.166 20 10 FECDRO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H]2CCc3cccc(O)c32)CC1 ZINC000296477890 553166808 /nfs/dbraw/zinc/16/68/08/553166808.db2.gz ODLKYYAINDJFSI-JBEBIEQOSA-N 1 0 351.468 2.156 20 10 FECDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000296826663 553216909 /nfs/dbraw/zinc/21/69/09/553216909.db2.gz MLADWOGIFSWWFN-ZDUSSCGKSA-N 1 0 352.481 2.318 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000297924865 553358081 /nfs/dbraw/zinc/35/80/81/553358081.db2.gz UHOXHZADGTURAZ-UHFFFAOYSA-N 1 0 374.529 2.044 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC[N@H+](C)CCOC ZINC000298682819 553458387 /nfs/dbraw/zinc/45/83/87/553458387.db2.gz LPFZFYHFKCUFMU-UHFFFAOYSA-N 1 0 350.507 2.252 20 10 FECDRO O=C1COc2cc([N+](=O)[O-])c(N3CCC[N@@H+](C4CCCC4)CC3)cc2N1 ZINC000361814959 554936245 /nfs/dbraw/zinc/93/62/45/554936245.db2.gz PFCZMNHREPQKBS-UHFFFAOYSA-N 1 0 360.414 2.380 20 10 FECDRO O=C1[C@@H]([N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473059 555114098 /nfs/dbraw/zinc/11/40/98/555114098.db2.gz XTWLQQCXANBEQQ-OALUTQOASA-N 1 0 374.481 2.153 20 10 FECDRO O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000366324259 555812598 /nfs/dbraw/zinc/81/25/98/555812598.db2.gz NTYZGYPHIQCHJL-WFASDCNBSA-N 1 0 357.376 2.280 20 10 FECDRO O=C1[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCN2C(=O)N1c1ccccc1 ZINC000367818399 556146885 /nfs/dbraw/zinc/14/68/85/556146885.db2.gz HOZGFVAHKWGTIJ-INIZCTEOSA-N 1 0 355.369 2.184 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1O ZINC000372037131 557363159 /nfs/dbraw/zinc/36/31/59/557363159.db2.gz KMEPXGJOHOYEKW-AWEZNQCLSA-N 1 0 360.414 2.006 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2nc[nH]n2)C1 ZINC000518680398 562116277 /nfs/dbraw/zinc/11/62/77/562116277.db2.gz WLZKZAWYRCURLO-AWEZNQCLSA-N 1 0 366.469 2.403 20 10 FECDRO Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCN4C)C2=O)n1 ZINC000373372190 557681273 /nfs/dbraw/zinc/68/12/73/557681273.db2.gz ZYXCNRYCMJHHIK-LJQANCHMSA-N 1 0 365.481 2.058 20 10 FECDRO CC[C@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC[N@@H+]1C[C@@H](C)O ZINC000472219563 561021291 /nfs/dbraw/zinc/02/12/91/561021291.db2.gz GWBPMLUOSREULB-WBVHZDCISA-N 1 0 372.513 2.473 20 10 FECDRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000737637620 598316085 /nfs/dbraw/zinc/31/60/85/598316085.db2.gz AALAAPLWWKTQGS-UHFFFAOYSA-N 1 0 368.416 2.132 20 10 FECDRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1O ZINC000735558850 598617513 /nfs/dbraw/zinc/61/75/13/598617513.db2.gz GNEQWMYQBUNJQF-GFCCVEGCSA-N 1 0 352.398 2.031 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809783858 674509941 /nfs/dbraw/zinc/50/99/41/674509941.db2.gz FUFYXBYAZVLHBP-AWEZNQCLSA-N 1 0 368.499 2.085 20 10 FECDRO c1sc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1-c1nn[nH]n1 ZINC000823756755 606213606 /nfs/dbraw/zinc/21/36/06/606213606.db2.gz GZANRLAHRYIVOZ-UHFFFAOYSA-N 1 0 356.455 2.055 20 10 FECDRO c1csc(SCCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)n1 ZINC000823815597 606474529 /nfs/dbraw/zinc/47/45/29/606474529.db2.gz GAOAJFDPHZDWFK-UHFFFAOYSA-N 1 0 372.483 2.243 20 10 FECDRO COc1ccc(CNC(=O)NCC2(SC)CC[NH+](C)CC2)c(O)c1 ZINC000811940970 674641354 /nfs/dbraw/zinc/64/13/54/674641354.db2.gz XTDFZYIZBOKNPU-UHFFFAOYSA-N 1 0 353.488 2.027 20 10 FECDRO COCC1([NH2+]Cc2cc(Br)cc(OC)c2O)CCOCC1 ZINC000814302700 674831226 /nfs/dbraw/zinc/83/12/26/674831226.db2.gz ZIDFFOJNUNNCAA-UHFFFAOYSA-N 1 0 360.248 2.449 20 10 FECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000815116258 674920803 /nfs/dbraw/zinc/92/08/03/674920803.db2.gz GQVFHDDJMBWLIS-KRWDZBQOSA-N 1 0 353.532 2.246 20 10 FECDRO Cn1cc(C(=O)NCC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cn1 ZINC000092759453 670744307 /nfs/dbraw/zinc/74/43/07/670744307.db2.gz PJJVCCOIYZHIMJ-UHFFFAOYSA-N 1 0 362.861 2.421 20 10 FECDRO CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111232971 670855972 /nfs/dbraw/zinc/85/59/72/670855972.db2.gz AACKHFDTCXAUTL-CQSZACIVSA-N 1 0 360.376 2.394 20 10 FECDRO C[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccccc1O ZINC000111235552 670856317 /nfs/dbraw/zinc/85/63/17/670856317.db2.gz MXPMUMHYPMLAQD-UHFFFAOYSA-N 1 0 359.495 2.230 20 10 FECDRO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817945121 675187500 /nfs/dbraw/zinc/18/75/00/675187500.db2.gz UNRKNWMFWRDYFB-JTQLQIEISA-N 1 0 362.699 2.364 20 10 FECDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCSc1nccs1 ZINC000189319563 672613435 /nfs/dbraw/zinc/61/34/35/672613435.db2.gz QFUMGEPVKGJBND-CYBMUJFWSA-N 1 0 372.560 2.112 20 10 FECDRO CC(C)(C[NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000236616351 672802155 /nfs/dbraw/zinc/80/21/55/672802155.db2.gz PHEFAXFEOYJHAT-UHFFFAOYSA-N 1 0 359.392 2.143 20 10 FECDRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]Cc1ccccc1O ZINC000725851465 673094601 /nfs/dbraw/zinc/09/46/01/673094601.db2.gz QMYMDEVQUOGPMR-ZDUSSCGKSA-N 1 0 369.874 2.200 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCCSC)CC2)cc1 ZINC000735995814 673510609 /nfs/dbraw/zinc/51/06/09/673510609.db2.gz UCEDQBGVBWXZDK-UHFFFAOYSA-N 1 0 365.543 2.467 20 10 FECDRO Cc1cc(Br)cc(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1O ZINC000818431392 675219178 /nfs/dbraw/zinc/21/91/78/675219178.db2.gz KRVSZNLRWLUDKW-LSDHHAIUSA-N 1 0 365.275 2.123 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000819076460 675258501 /nfs/dbraw/zinc/25/85/01/675258501.db2.gz CQHUWLIQZHJCRZ-KRWDZBQOSA-N 1 0 351.491 2.378 20 10 FECDRO CON(C)C(=O)CC[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819119852 675262055 /nfs/dbraw/zinc/26/20/55/675262055.db2.gz DPOSXVRXXILPDZ-ZDUSSCGKSA-N 1 0 357.401 2.256 20 10 FECDRO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000824451147 675603797 /nfs/dbraw/zinc/60/37/97/675603797.db2.gz JZKWMRRPOFPVCU-LLVKDONJSA-N 1 0 355.232 2.429 20 10 FECDRO OCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCSCC1 ZINC000825129816 675637967 /nfs/dbraw/zinc/63/79/67/675637967.db2.gz FXLDMMXZFBOAJC-UHFFFAOYSA-N 1 0 354.491 2.352 20 10 FECDRO O=C1[C@H]([NH2+]Cc2ccc(Br)cc2O)CCN1C1CCOCC1 ZINC000825326926 675646920 /nfs/dbraw/zinc/64/69/20/675646920.db2.gz SPMVUUSEMAHROG-CQSZACIVSA-N 1 0 369.259 2.024 20 10 FECDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](C)[NH3+] ZINC000827365713 675751135 /nfs/dbraw/zinc/75/11/35/675751135.db2.gz VRMSJAKFCJPMLA-UGSOOPFHSA-N 1 0 351.466 2.022 20 10 FECDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000827545281 675764055 /nfs/dbraw/zinc/76/40/55/675764055.db2.gz YUYKGTSGPUIEGG-ZDUSSCGKSA-N 1 0 356.264 2.342 20 10 FECDRO Oc1ccc(Br)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827699586 675773624 /nfs/dbraw/zinc/77/36/24/675773624.db2.gz JIYVMUCXGYKIPN-HNNXBMFYSA-N 1 0 355.276 2.186 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000761123402 680711801 /nfs/dbraw/zinc/71/18/01/680711801.db2.gz ILEYGKQZBAEPMS-HUUCEWRRSA-N 1 0 363.845 2.437 20 10 FECDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)nn1 ZINC000762793068 680761707 /nfs/dbraw/zinc/76/17/07/680761707.db2.gz CJGYWIIFJUETRR-NSHDSACASA-N 1 0 350.806 2.261 20 10 FECDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000763404028 680782242 /nfs/dbraw/zinc/78/22/42/680782242.db2.gz NOEWSAFIBRPXCP-UHFFFAOYSA-N 1 0 365.451 2.111 20 10 FECDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)ccc1N1CCCCC1 ZINC000765266298 680837520 /nfs/dbraw/zinc/83/75/20/680837520.db2.gz GDRNBCLSWYOGDG-OAHLLOKOSA-N 1 0 367.471 2.252 20 10 FECDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C(C)(C)O1 ZINC000765979174 680862038 /nfs/dbraw/zinc/86/20/38/680862038.db2.gz JEAONZXVZKZXDO-KRWDZBQOSA-N 1 0 366.527 2.357 20 10 FECDRO COC[C@](C)(CCO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000749923285 680086921 /nfs/dbraw/zinc/08/69/21/680086921.db2.gz TXWMDCLHXUUMMF-SFHVURJKSA-N 1 0 351.447 2.462 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000835054022 680291314 /nfs/dbraw/zinc/29/13/14/680291314.db2.gz QWYWJHJAYFBPHH-OIIZEAPSSA-N 1 0 365.543 2.463 20 10 FECDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)ccc1N1CCCCC1 ZINC000754889463 680386807 /nfs/dbraw/zinc/38/68/07/680386807.db2.gz JOJSUGZAGAQPFC-OAHLLOKOSA-N 1 0 367.471 2.252 20 10 FECDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCCSc1nccs1 ZINC000759601113 680658118 /nfs/dbraw/zinc/65/81/18/680658118.db2.gz GZXZPNWKUGNLGZ-CQSZACIVSA-N 1 0 372.560 2.378 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841707352 680908375 /nfs/dbraw/zinc/90/83/75/680908375.db2.gz RIZIKAUEFWCHEP-OAHLLOKOSA-N 1 0 370.469 2.036 20 10 FECDRO CC[C@H]([NH3+])CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782570 680912176 /nfs/dbraw/zinc/91/21/76/680912176.db2.gz NYTYVSCDQRJSBW-LBPRGKRZSA-N 1 0 356.417 2.293 20 10 FECDRO C[C@@H](NC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC000841926367 680917699 /nfs/dbraw/zinc/91/76/99/680917699.db2.gz GPUXBFROPOLOAF-GHMZBOCLSA-N 1 0 356.264 2.342 20 10 FECDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000841954338 680918947 /nfs/dbraw/zinc/91/89/47/680918947.db2.gz WCTOTMMYOCYOEX-MFKMUULPSA-N 1 0 356.264 2.471 20 10 FECDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000842225082 680933573 /nfs/dbraw/zinc/93/35/73/680933573.db2.gz HDMGRGYGAWYTIJ-CRAIPNDOSA-N 1 0 351.447 2.197 20 10 FECDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000842225120 680933817 /nfs/dbraw/zinc/93/38/17/680933817.db2.gz IPMCSTVIKYTJGL-IUODEOHRSA-N 1 0 357.292 2.271 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)Cc2ccc(F)cc2F)cc1 ZINC000842785837 680966458 /nfs/dbraw/zinc/96/64/58/680966458.db2.gz RDWZJZREKSRARK-QGZVFWFLSA-N 1 0 369.437 2.150 20 10 FECDRO [NH3+]CCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843291641 680995962 /nfs/dbraw/zinc/99/59/62/680995962.db2.gz WCGMGGXQZGUOJV-ZRDIBKRKSA-N 1 0 369.537 2.195 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000843428753 681003604 /nfs/dbraw/zinc/00/36/04/681003604.db2.gz MVJRYGBUUXCLHG-LBPRGKRZSA-N 1 0 370.291 2.015 20 10 FECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc[n+]([O-])cc1 ZINC000771060979 681039870 /nfs/dbraw/zinc/03/98/70/681039870.db2.gz ZRQHQJXDDXZSHQ-INIZCTEOSA-N 1 0 361.829 2.073 20 10 FECDRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2cc(Cl)ccc2O)CCCO1 ZINC000845154431 681107634 /nfs/dbraw/zinc/10/76/34/681107634.db2.gz XSCPBCRUZXPGFE-CYBMUJFWSA-N 1 0 355.866 2.346 20 10 FECDRO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846193442 681198157 /nfs/dbraw/zinc/19/81/57/681198157.db2.gz IUKHTPMDUCZFRC-KSSFIOAISA-N 1 0 354.878 2.369 20 10 FECDRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000775396394 681303967 /nfs/dbraw/zinc/30/39/67/681303967.db2.gz SXHBYKNCJGIILJ-HZPDHXFCSA-N 1 0 372.918 2.177 20 10 FECDRO Cc1cc(Br)cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000775676548 681323745 /nfs/dbraw/zinc/32/37/45/681323745.db2.gz TWQHFXADVCYTIV-HZPDHXFCSA-N 1 0 369.303 2.494 20 10 FECDRO Cc1cc(Br)cc(CN2CC[NH+](CCCCO)CC2)c1O ZINC000775691073 681324739 /nfs/dbraw/zinc/32/47/39/681324739.db2.gz UHBRDDTWUNEHNJ-UHFFFAOYSA-N 1 0 357.292 2.353 20 10 FECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000847696156 681418305 /nfs/dbraw/zinc/41/83/05/681418305.db2.gz MIHLPZWJPCGVEI-CJNGLKHVSA-N 1 0 364.511 2.363 20 10 FECDRO CC(C)(C)[NH2+]CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000933825460 681471983 /nfs/dbraw/zinc/47/19/83/681471983.db2.gz TUZDXXQJKZMTDD-UHFFFAOYSA-N 1 0 351.466 2.181 20 10 FECDRO CCc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1O ZINC000848899072 681639835 /nfs/dbraw/zinc/63/98/35/681639835.db2.gz KDHSTWFZBWYVDT-UHFFFAOYSA-N 1 0 354.497 2.393 20 10 FECDRO C[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000779008002 681672231 /nfs/dbraw/zinc/67/22/31/681672231.db2.gz BLQKYTRFYPUCTB-HZPDHXFCSA-N 1 0 366.527 2.387 20 10 FECDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849271485 681674666 /nfs/dbraw/zinc/67/46/66/681674666.db2.gz LEWTWCSZWDNSPB-RDJZCZTQSA-N 1 0 362.543 2.222 20 10 FECDRO COc1cc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850131999 681857261 /nfs/dbraw/zinc/85/72/61/681857261.db2.gz YPWMUDRZTRSYHR-UHFFFAOYSA-N 1 0 358.504 2.116 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c1O ZINC000850510984 681910407 /nfs/dbraw/zinc/91/04/07/681910407.db2.gz ZANMREMSZGYFLB-BLLLJJGKSA-N 1 0 374.275 2.282 20 10 FECDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566192 681917329 /nfs/dbraw/zinc/91/73/29/681917329.db2.gz LMHNLAAUHSDGFB-RBUKOAKNSA-N 1 0 366.527 2.093 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CCc2ccc(F)cc2)cc1 ZINC000850586620 681919368 /nfs/dbraw/zinc/91/93/68/681919368.db2.gz ZSEVQEWNSBTHHB-GOSISDBHSA-N 1 0 365.474 2.054 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1O ZINC000852708443 682323815 /nfs/dbraw/zinc/32/38/15/682323815.db2.gz BLNMRCWWKLSZFV-INIZCTEOSA-N 1 0 352.862 2.279 20 10 FECDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000794827647 682997867 /nfs/dbraw/zinc/99/78/67/682997867.db2.gz HKVCEOTWUUTMSS-CYBMUJFWSA-N 1 0 372.918 2.404 20 10 FECDRO Nc1c(Cl)cc(N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)cc1Cl ZINC000927217457 683221296 /nfs/dbraw/zinc/22/12/96/683221296.db2.gz WOESYLADKARQQO-GFCCVEGCSA-N 1 0 357.241 2.486 20 10 FECDRO O=S(=O)(C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1)N1CCCC1 ZINC000799957514 683515202 /nfs/dbraw/zinc/51/52/02/683515202.db2.gz AEMJPUKFSZIRQH-UHFFFAOYSA-N 1 0 364.511 2.271 20 10 FECDRO CON(C)C(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862373781 683579805 /nfs/dbraw/zinc/57/98/05/683579805.db2.gz WPQMMPIILUNHKI-UHFFFAOYSA-N 1 0 357.248 2.387 20 10 FECDRO Fc1cc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)ccc1N1CCOCC1 ZINC000922524431 683740627 /nfs/dbraw/zinc/74/06/27/683740627.db2.gz KIQJBVZYRHSOCW-IEBWSBKVSA-N 1 0 365.518 2.332 20 10 FECDRO CCN1CCC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1=O ZINC000922641183 683760536 /nfs/dbraw/zinc/76/05/36/683760536.db2.gz ZNQCPCHHIURIAT-LBPRGKRZSA-N 1 0 357.248 2.264 20 10 FECDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922953366 683810380 /nfs/dbraw/zinc/81/03/80/683810380.db2.gz APGSUIDHJPSUKX-ZDUSSCGKSA-N 1 0 355.276 2.498 20 10 FECDRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1CCCSc1nccs1 ZINC000924642361 684476590 /nfs/dbraw/zinc/47/65/90/684476590.db2.gz ZNXMOLAUWOOTBP-LBPRGKRZSA-N 1 0 354.501 2.032 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@H](O)CC3(O)CCCC3)CC2)cc1F ZINC000878181631 686536152 /nfs/dbraw/zinc/53/61/52/686536152.db2.gz WGTPLFLDISPMFU-MRXNPFEDSA-N 1 0 352.450 2.012 20 10 FECDRO CCc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881855247 687235569 /nfs/dbraw/zinc/23/55/69/687235569.db2.gz RRLMTUGFHPAZLX-UHFFFAOYSA-N 1 0 361.877 2.307 20 10 FECDRO CC1CCN(c2ccc(CNS(=O)(=O)CCn3ccnc3)cc2)CC1 ZINC000881871239 687241171 /nfs/dbraw/zinc/24/11/71/687241171.db2.gz LLTVJPFQZOJXIW-UHFFFAOYSA-N 1 0 362.499 2.239 20 10 FECDRO [O-]c1c(F)cc(Br)cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000882894663 687524989 /nfs/dbraw/zinc/52/49/89/687524989.db2.gz VGVHHCOHWZQTGH-UHFFFAOYSA-N 1 0 361.255 2.496 20 10 FECDRO COc1cccc([C@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1O ZINC000883300590 687603228 /nfs/dbraw/zinc/60/32/28/687603228.db2.gz BSFCPMRMOKTWNX-LBPRGKRZSA-N 1 0 356.488 2.302 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000893739747 689397079 /nfs/dbraw/zinc/39/70/79/689397079.db2.gz CSCRDIGKZJLLKU-HOTGVXAUSA-N 1 0 367.877 2.223 20 10 FECDRO COC(=O)[C@@H]1[C@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893910908 689427336 /nfs/dbraw/zinc/42/73/36/689427336.db2.gz QDAGRRJTPATOMD-HOTGVXAUSA-N 1 0 354.397 2.009 20 10 FECDRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F ZINC000894208798 689486931 /nfs/dbraw/zinc/48/69/31/689486931.db2.gz LNSJKAUMTBNFKD-WQVCFCJDSA-N 1 0 354.397 2.228 20 10 FECDRO COc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c(O)c1OC ZINC000894661287 689574564 /nfs/dbraw/zinc/57/45/64/689574564.db2.gz NUGNSGQNAKBANW-CYBMUJFWSA-N 1 0 363.435 2.070 20 10 FECDRO COc1cc(C)cc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000894873991 689612322 /nfs/dbraw/zinc/61/23/22/689612322.db2.gz LCXXRXZCQKAREM-AWEZNQCLSA-N 1 0 354.447 2.027 20 10 FECDRO COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)C1(F)F ZINC000895051970 689648590 /nfs/dbraw/zinc/64/85/90/689648590.db2.gz UNITYXCHLIYCEB-KCXAZCMYSA-N 1 0 354.397 2.165 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1O ZINC000897624083 690051733 /nfs/dbraw/zinc/05/17/33/690051733.db2.gz SHNGSDOIPHEYMR-ZBEGNZNMSA-N 1 0 369.259 2.251 20 10 FECDRO CCc1cccc(C[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000897695675 690065122 /nfs/dbraw/zinc/06/51/22/690065122.db2.gz ORUADZOBYJYHPD-IBGZPJMESA-N 1 0 350.459 2.416 20 10 FECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1O ZINC000898372695 690169518 /nfs/dbraw/zinc/16/95/18/690169518.db2.gz WPDIULDEWKTDNI-GFCCVEGCSA-N 1 0 364.833 2.227 20 10 FECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000898481513 690189372 /nfs/dbraw/zinc/18/93/72/690189372.db2.gz MWDIRWTWOFIDCZ-ZBFHGGJFSA-N 1 0 350.434 2.484 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C(C)(C)O)[NH+](C)C)cc1 ZINC000899098873 690303851 /nfs/dbraw/zinc/30/38/51/690303851.db2.gz UGTSDCILQACNNR-MRXNPFEDSA-N 1 0 350.507 2.204 20 10 FECDRO CC[C@H](C[C@@H](C)O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099155 690303874 /nfs/dbraw/zinc/30/38/74/690303874.db2.gz WFCDHUCKLNDSFE-KYJSFNMBSA-N 1 0 350.507 2.204 20 10 FECDRO CC(C)[C@](C)(CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100919 690304439 /nfs/dbraw/zinc/30/44/39/690304439.db2.gz CZVJKYRCKUSUIX-MJGOQNOKSA-N 1 0 350.507 2.062 20 10 FECDRO CC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)O ZINC000899103893 690304984 /nfs/dbraw/zinc/30/49/84/690304984.db2.gz OUXHBBAFDGTCCG-DLBZAZTESA-N 1 0 350.507 2.204 20 10 FECDRO COc1cc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c(O)cc1C ZINC000902672644 690796742 /nfs/dbraw/zinc/79/67/42/690796742.db2.gz ZFZDDRYMVCMIKX-VWLOTQADSA-N 1 0 369.531 2.496 20 10 FECDRO O[C@H](CCC1(O)CCC1)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000905052171 691061769 /nfs/dbraw/zinc/06/17/69/691061769.db2.gz MWPABAQYLQPCSN-GOSISDBHSA-N 1 0 350.528 2.386 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1F ZINC000800308909 674040474 /nfs/dbraw/zinc/04/04/74/674040474.db2.gz DSOUAGPYCKRIBH-RDJZCZTQSA-N 1 0 371.522 2.479 20 10 FECDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000800479395 674056446 /nfs/dbraw/zinc/05/64/46/674056446.db2.gz ZBPRRYXHIZNRTE-PKOBYXMFSA-N 1 0 366.527 2.216 20 10 FECDRO CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000054786158 540610057 /nfs/dbraw/zinc/61/00/57/540610057.db2.gz YFNRVGQKMYAEAK-UHFFFAOYSA-N 1 0 374.529 2.443 20 10 FECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801508334 674132486 /nfs/dbraw/zinc/13/24/86/674132486.db2.gz OHZAEXDQUZOSJB-GOSISDBHSA-N 1 0 365.543 2.390 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000080493427 542592026 /nfs/dbraw/zinc/59/20/26/542592026.db2.gz LDNZYDFVHBDAPC-UHFFFAOYSA-N 1 0 374.529 2.484 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081765554 542676418 /nfs/dbraw/zinc/67/64/18/542676418.db2.gz SCJILXMLBMUXOX-PZJWPPBQSA-N 1 0 371.525 2.386 20 10 FECDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000105321063 543170903 /nfs/dbraw/zinc/17/09/03/543170903.db2.gz WLZRSCNDFFCWTL-MRXNPFEDSA-N 1 0 369.513 2.102 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000108377802 543288267 /nfs/dbraw/zinc/28/82/67/543288267.db2.gz PCXTURHZHUMDMI-HXUWFJFHSA-N 1 0 358.530 2.319 20 10 FECDRO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000124585771 543831270 /nfs/dbraw/zinc/83/12/70/543831270.db2.gz LOZMJZCDJZSVCA-JWLNDWNSSA-N 1 0 357.498 2.478 20 10 FECDRO NC(=O)c1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccn1 ZINC000132983466 544251317 /nfs/dbraw/zinc/25/13/17/544251317.db2.gz NATUMDBUUUOOQV-UHFFFAOYSA-N 1 0 365.481 2.325 20 10 FECDRO COC(=O)CC1([NH2+]Cc2cc(Br)ccc2O)CCOCC1 ZINC000152513419 544663827 /nfs/dbraw/zinc/66/38/27/544663827.db2.gz SMLSWQRQLABPPQ-UHFFFAOYSA-N 1 0 358.232 2.357 20 10 FECDRO Cc1nn(C)cc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158089884 545820475 /nfs/dbraw/zinc/82/04/75/545820475.db2.gz UVXRICHFEUXYCN-HNNXBMFYSA-N 1 0 362.861 2.482 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1OC ZINC000180070758 547047824 /nfs/dbraw/zinc/04/78/24/547047824.db2.gz VBMNGOPJGSURRH-ZDUSSCGKSA-N 1 0 358.442 2.327 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccncc3)cc2F)CC1 ZINC000181989277 547418653 /nfs/dbraw/zinc/41/86/53/547418653.db2.gz XYCOYSLTXZBFCJ-UHFFFAOYSA-N 1 0 356.445 2.222 20 10 FECDRO Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccc(O)c(O)c3)CC2)c1 ZINC000182543696 547510603 /nfs/dbraw/zinc/51/06/03/547510603.db2.gz QUXUDTPDDYXDDQ-UHFFFAOYSA-N 1 0 369.465 2.235 20 10 FECDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(Br)cc1O ZINC000185179657 547946640 /nfs/dbraw/zinc/94/66/40/547946640.db2.gz QDHCMQUTZNHZHL-SSDOTTSWSA-N 1 0 355.154 2.484 20 10 FECDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(Br)cc1O ZINC000185179635 547946902 /nfs/dbraw/zinc/94/69/02/547946902.db2.gz QDHCMQUTZNHZHL-ZETCQYMHSA-N 1 0 355.154 2.484 20 10 FECDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000188805969 548288919 /nfs/dbraw/zinc/28/89/19/548288919.db2.gz UTNGNPOMWWPUAP-UHFFFAOYSA-N 1 0 366.481 2.146 20 10 FECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190313640 548322762 /nfs/dbraw/zinc/32/27/62/548322762.db2.gz MKZRMQJMNSBUBJ-OAQYLSRUSA-N 1 0 370.449 2.190 20 10 FECDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1ccc(N)cc1 ZINC000262625273 549833352 /nfs/dbraw/zinc/83/33/52/549833352.db2.gz BEUCYHYRDUEKJH-KRWDZBQOSA-N 1 0 352.482 2.138 20 10 FECDRO Nc1ccc(CC(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000262668101 549837031 /nfs/dbraw/zinc/83/70/31/549837031.db2.gz LNCGQDWPMJXEBB-OAQYLSRUSA-N 1 0 367.493 2.373 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3cc(C)nc4ncnn43)cc2F)CC1 ZINC000264415050 549995904 /nfs/dbraw/zinc/99/59/04/549995904.db2.gz PKGLRIHXUUUUOS-UHFFFAOYSA-N 1 0 369.448 2.326 20 10 FECDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000265849417 550014904 /nfs/dbraw/zinc/01/49/04/550014904.db2.gz HXGBSUNIMAXKGV-HZPDHXFCSA-N 1 0 370.490 2.108 20 10 FECDRO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271177825 550348690 /nfs/dbraw/zinc/34/86/90/550348690.db2.gz LAXWLEJRBHRWCU-QGZVFWFLSA-N 1 0 351.516 2.177 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)CCn3cccn3)CC2)cc1 ZINC000272352932 550440052 /nfs/dbraw/zinc/44/00/52/550440052.db2.gz DHHUJHXURFAYBQ-GOSISDBHSA-N 1 0 357.502 2.082 20 10 FECDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273420070 550497954 /nfs/dbraw/zinc/49/79/54/550497954.db2.gz RWQSZKOMMVAGKQ-LBPRGKRZSA-N 1 0 350.415 2.450 20 10 FECDRO C[NH+](C)C1(CNC(=O)NCc2cccc(Br)c2O)CCC1 ZINC000277298261 550653192 /nfs/dbraw/zinc/65/31/92/550653192.db2.gz BXQCNNOTKVJPMV-UHFFFAOYSA-N 1 0 356.264 2.438 20 10 FECDRO CCN(CC)c1ccc(C[N@H+]2C[C@H](OCCOC)C[C@H](CO)C2)cc1 ZINC000278748129 550818026 /nfs/dbraw/zinc/81/80/26/550818026.db2.gz RWCBKLOZIXHUGZ-AZUAARDMSA-N 1 0 350.503 2.379 20 10 FECDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000278766319 550819914 /nfs/dbraw/zinc/81/99/14/550819914.db2.gz UFSQSWCRMVYCLC-WFASDCNBSA-N 1 0 374.275 2.001 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2F)C[C@H](C)O1 ZINC000279871453 550938097 /nfs/dbraw/zinc/93/80/97/550938097.db2.gz DKFFEHOAYGAWKY-MPTYRVRUSA-N 1 0 363.477 2.444 20 10 FECDRO Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c(O)c1O ZINC000280589381 551010785 /nfs/dbraw/zinc/01/07/85/551010785.db2.gz BAVMJDUOJYULLG-MSOLQXFVSA-N 1 0 368.433 2.132 20 10 FECDRO CCCC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1O ZINC000282550887 551245431 /nfs/dbraw/zinc/24/54/31/551245431.db2.gz XFLPTFDVPCIPSO-UHFFFAOYSA-N 1 0 362.470 2.360 20 10 FECDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000285203807 551720011 /nfs/dbraw/zinc/72/00/11/551720011.db2.gz WNCWFEJKQLMEMJ-HNNXBMFYSA-N 1 0 363.332 2.337 20 10 FECDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289383460 552312099 /nfs/dbraw/zinc/31/20/99/552312099.db2.gz MRXHUGQENLPCAU-ZDUSSCGKSA-N 1 0 367.402 2.410 20 10 FECDRO COc1cc(N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)cc(OC)c1OC ZINC000289987274 552409928 /nfs/dbraw/zinc/40/99/28/552409928.db2.gz QZSMRSNOPLXOHC-QGZVFWFLSA-N 1 0 352.475 2.241 20 10 FECDRO Fc1cc(C[NH2+]Cc2cnn(CC(F)F)c2)ccc1N1CCOCC1 ZINC000292936105 552772657 /nfs/dbraw/zinc/77/26/57/552772657.db2.gz IGJRWNAUIRTAOU-UHFFFAOYSA-N 1 0 354.376 2.414 20 10 FECDRO Oc1ccccc1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1CCCO1 ZINC000293013105 552780408 /nfs/dbraw/zinc/78/04/08/552780408.db2.gz UPMXMQBXOURLDM-CABCVRRESA-N 1 0 363.376 2.313 20 10 FECDRO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000295711419 553048193 /nfs/dbraw/zinc/04/81/93/553048193.db2.gz KEKMUHABXRNYPE-QWHCGFSZSA-N 1 0 366.417 2.007 20 10 FECDRO COc1ccc(-n2c(C)cc(C(=O)NCC[NH+]3CCC(O)CC3)c2C)cc1 ZINC000296918164 553229339 /nfs/dbraw/zinc/22/93/39/553229339.db2.gz LMYOFCHWNRYLSP-UHFFFAOYSA-N 1 0 371.481 2.289 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000299646291 553595259 /nfs/dbraw/zinc/59/52/59/553595259.db2.gz RJFUFQDKLYENGA-UHFFFAOYSA-N 1 0 358.530 2.319 20 10 FECDRO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC(=O)N1C ZINC000328621890 553797456 /nfs/dbraw/zinc/79/74/56/553797456.db2.gz IAVBWAXJNNWWMT-OXQOHEQNSA-N 1 0 354.454 2.033 20 10 FECDRO COc1c(C(=O)N(C)C2CCN(c3ccc(OC)cc3)CC2)c(C)nn1C ZINC000362850289 554993232 /nfs/dbraw/zinc/99/32/32/554993232.db2.gz HXOPYECJFFINRI-UHFFFAOYSA-N 1 0 372.469 2.487 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000363786994 555186084 /nfs/dbraw/zinc/18/60/84/555186084.db2.gz SRZIERGMALGGLI-WMZOPIPTSA-N 1 0 355.486 2.186 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000363892880 555208417 /nfs/dbraw/zinc/20/84/17/555208417.db2.gz DFERIYDFOMGFGZ-UGSOOPFHSA-N 1 0 370.453 2.341 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000364231775 555274904 /nfs/dbraw/zinc/27/49/04/555274904.db2.gz QPZQYPQSCSQJPZ-QGZVFWFLSA-N 1 0 365.905 2.460 20 10 FECDRO Cc1nnc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000365990891 555719843 /nfs/dbraw/zinc/71/98/43/555719843.db2.gz BRMFAIUDMRRNKA-CQSZACIVSA-N 1 0 364.833 2.060 20 10 FECDRO COc1c(O)c(CN2CCN(c3ccc(F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000367721409 556122733 /nfs/dbraw/zinc/12/27/33/556122733.db2.gz OAFDAGHTIGDASI-UHFFFAOYSA-N 1 0 362.361 2.165 20 10 FECDRO CC[C@H](c1ccccc1O)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000368038056 556200884 /nfs/dbraw/zinc/20/08/84/556200884.db2.gz BRUKNIHJFAJEHM-QGZVFWFLSA-N 1 0 352.500 2.038 20 10 FECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052287 556204927 /nfs/dbraw/zinc/20/49/27/556204927.db2.gz VCGVSSDOEYVKOF-KBXCAEBGSA-N 1 0 362.470 2.469 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)cc1OC ZINC000368405414 556298445 /nfs/dbraw/zinc/29/84/45/556298445.db2.gz YPORTJJWGUCAFB-XOBRGWDASA-N 1 0 374.485 2.316 20 10 FECDRO C[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc2ccccc2c1O ZINC000370372992 556853541 /nfs/dbraw/zinc/85/35/41/556853541.db2.gz ABFHKBZOJLQAQK-CYBMUJFWSA-N 1 0 352.442 2.389 20 10 FECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000370613254 556921792 /nfs/dbraw/zinc/92/17/92/556921792.db2.gz YAYLZTSLXNTZFQ-ICSRJNTNSA-N 1 0 360.546 2.200 20 10 FECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000371222829 557111349 /nfs/dbraw/zinc/11/13/49/557111349.db2.gz JJHLKLPNPHACCK-CYBMUJFWSA-N 1 0 372.860 2.490 20 10 FECDRO O=C(c1ccco1)N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000371420925 557181250 /nfs/dbraw/zinc/18/12/50/557181250.db2.gz JANAOOPESVBSBG-UHFFFAOYSA-N 1 0 369.465 2.464 20 10 FECDRO COC(=O)C1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000372088766 557377331 /nfs/dbraw/zinc/37/73/31/557377331.db2.gz PHLFOULYDQGDMT-AWEZNQCLSA-N 1 0 366.845 2.079 20 10 FECDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000374514288 557893577 /nfs/dbraw/zinc/89/35/77/557893577.db2.gz NUHURSUIXOUVNZ-FNHZYXHNSA-N 1 0 361.461 2.466 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1OC ZINC000375407038 558022183 /nfs/dbraw/zinc/02/21/83/558022183.db2.gz VUVZHCALPPMZOJ-KHYOSLBOSA-N 1 0 351.443 2.161 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000377740250 558408694 /nfs/dbraw/zinc/40/86/94/558408694.db2.gz TXYAEWLLCPZJTK-FCBIJRMHSA-N 1 0 373.497 2.000 20 10 FECDRO COCCCOCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378446846 558559549 /nfs/dbraw/zinc/55/95/49/558559549.db2.gz DBOZORMGVSMHEK-MRXNPFEDSA-N 1 0 370.877 2.179 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000378450688 558560347 /nfs/dbraw/zinc/56/03/47/558560347.db2.gz CLHJBLUVMCKIJS-OAHLLOKOSA-N 1 0 358.442 2.415 20 10 FECDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C1=CC(=O)CS1 ZINC000807688011 674424156 /nfs/dbraw/zinc/42/41/56/674424156.db2.gz WKTSBJHDSUYFCO-UHFFFAOYSA-N 1 0 359.495 2.344 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1C ZINC000808225891 674447805 /nfs/dbraw/zinc/44/78/05/674447805.db2.gz AVKDNCDIRVTUNL-OAHLLOKOSA-N 1 0 352.500 2.303 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000809688898 674505312 /nfs/dbraw/zinc/50/53/12/674505312.db2.gz REOVWVFXXQPEJZ-GOSISDBHSA-N 1 0 353.532 2.389 20 10 FECDRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809790491 674510127 /nfs/dbraw/zinc/51/01/27/674510127.db2.gz HRWGJLHPMIYDHH-UHFFFAOYSA-N 1 0 369.487 2.498 20 10 FECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000076323651 670548290 /nfs/dbraw/zinc/54/82/90/670548290.db2.gz IVMQRBYMBFLENK-FZKQIMNGSA-N 1 0 350.459 2.371 20 10 FECDRO C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817934811 675187012 /nfs/dbraw/zinc/18/70/12/675187012.db2.gz CZBRMMARYCYVRU-LLVKDONJSA-N 1 0 360.271 2.240 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1O ZINC000131050135 672083811 /nfs/dbraw/zinc/08/38/11/672083811.db2.gz RJTDKETZMLPVER-UGZDLDLSSA-N 1 0 350.278 2.362 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](OCCO)C2)c1O ZINC000179571412 672403375 /nfs/dbraw/zinc/40/33/75/672403375.db2.gz ANHKZMQJRXCGAQ-ZDUSSCGKSA-N 1 0 360.248 2.137 20 10 FECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000733330699 673410087 /nfs/dbraw/zinc/41/00/87/673410087.db2.gz JGILIPIPRZFQMG-UHFFFAOYSA-N 1 0 360.479 2.225 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cc(F)ccc3F)cc2)CC1 ZINC000733330907 673410124 /nfs/dbraw/zinc/41/01/24/673410124.db2.gz SCYXZVNDHXPCCQ-UHFFFAOYSA-N 1 0 366.433 2.489 20 10 FECDRO COc1cc(Br)cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c1O ZINC000825130487 675638316 /nfs/dbraw/zinc/63/83/16/675638316.db2.gz YWBYGDXRJCEXIK-MFKMUULPSA-N 1 0 360.248 2.135 20 10 FECDRO CC1(O)CC(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000827096591 675728716 /nfs/dbraw/zinc/72/87/16/675728716.db2.gz XTDNJHUMVWHOJX-NSWWBONSSA-N 1 0 352.862 2.287 20 10 FECDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000827545280 675763975 /nfs/dbraw/zinc/76/39/75/675763975.db2.gz YUYKGTSGPUIEGG-CYBMUJFWSA-N 1 0 356.264 2.342 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000827700216 675773575 /nfs/dbraw/zinc/77/35/75/675773575.db2.gz QBTGMSJZDNZVRG-OAHLLOKOSA-N 1 0 369.303 2.494 20 10 FECDRO Cc1cn(C)nc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000839708150 680773532 /nfs/dbraw/zinc/77/35/32/680773532.db2.gz KLGFUXUZWFCFAO-HNNXBMFYSA-N 1 0 362.861 2.482 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000764788708 680821067 /nfs/dbraw/zinc/82/10/67/680821067.db2.gz BOFPAGCNJKSYIC-NSHDSACASA-N 1 0 354.248 2.191 20 10 FECDRO COc1cccc(O)c1C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000764978365 680826206 /nfs/dbraw/zinc/82/62/06/680826206.db2.gz XFOCJBKDEIIOOG-UHFFFAOYSA-N 1 0 362.451 2.231 20 10 FECDRO Cc1cc(Cl)cc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1O ZINC000840953948 680856702 /nfs/dbraw/zinc/85/67/02/680856702.db2.gz DFTWVNSKYGHXKJ-UHFFFAOYSA-N 1 0 358.891 2.354 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(Cl)c1 ZINC000840946638 680855756 /nfs/dbraw/zinc/85/57/56/680855756.db2.gz DASVZFGMALVSSD-PIGZYNQJSA-N 1 0 351.834 2.307 20 10 FECDRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765899870 680859025 /nfs/dbraw/zinc/85/90/25/680859025.db2.gz OGWPICIVWZHNIX-CVEARBPZSA-N 1 0 352.450 2.366 20 10 FECDRO [O-]c1c(Br)cccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841086954 680862687 /nfs/dbraw/zinc/86/26/87/680862687.db2.gz FWPNLRKGDWIXGP-UHFFFAOYSA-N 1 0 368.319 2.461 20 10 FECDRO CON(C)C(=O)[C@H](CCSC)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041048 680290198 /nfs/dbraw/zinc/29/01/98/680290198.db2.gz JBDXOOLDPVFMHF-TUYSUELWSA-N 1 0 351.516 2.497 20 10 FECDRO CCS(=O)(=O)N1CCC(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835046982 680291037 /nfs/dbraw/zinc/29/10/37/680291037.db2.gz BFRSHVPKKRYIRA-AATRIKPKSA-N 1 0 365.543 2.417 20 10 FECDRO CCS(=O)(=O)N1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756399402 680476305 /nfs/dbraw/zinc/47/63/05/680476305.db2.gz NZKHXAGUMIACSM-RISCZKNCSA-N 1 0 356.463 2.483 20 10 FECDRO Cc1ccc([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c(O)c1C ZINC000756563050 680485760 /nfs/dbraw/zinc/48/57/60/680485760.db2.gz LCQINPTXHLNYKX-HNNXBMFYSA-N 1 0 354.516 2.169 20 10 FECDRO COc1cc(N2CC[NH+](CC3(O)CCCC3)CC2)cc(OC)c1OC ZINC000759873249 680670730 /nfs/dbraw/zinc/67/07/30/680670730.db2.gz STPJPJNHACXONB-UHFFFAOYSA-N 1 0 350.459 2.140 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000842016228 680922233 /nfs/dbraw/zinc/92/22/33/680922233.db2.gz TUXGFTOXADDHMK-MISXGVKJSA-N 1 0 368.275 2.342 20 10 FECDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768441350 680947100 /nfs/dbraw/zinc/94/71/00/680947100.db2.gz YOEYSUBLAIFAKV-LSDHHAIUSA-N 1 0 350.459 2.072 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CCCc2ncn(C)n2)c1O ZINC000842738029 680963291 /nfs/dbraw/zinc/96/32/91/680963291.db2.gz YNTPCQSFIHOCHR-UHFFFAOYSA-N 1 0 355.236 2.014 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(F)cc1F ZINC000842784254 680966130 /nfs/dbraw/zinc/96/61/30/680966130.db2.gz HWEFMRJQDRJLLZ-INIZCTEOSA-N 1 0 369.437 2.318 20 10 FECDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)n1 ZINC000842784966 680966340 /nfs/dbraw/zinc/96/63/40/680966340.db2.gz IYKQLLKJGPAEBO-CQSZACIVSA-N 1 0 368.890 2.088 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000842785720 680966351 /nfs/dbraw/zinc/96/63/51/680966351.db2.gz KFUAVGHKXMMYFC-INIZCTEOSA-N 1 0 355.410 2.009 20 10 FECDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000842785883 680966536 /nfs/dbraw/zinc/96/65/36/680966536.db2.gz WWORPVCSSCWQJT-KRWDZBQOSA-N 1 0 351.447 2.178 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1F ZINC000769384810 680980364 /nfs/dbraw/zinc/98/03/64/680980364.db2.gz PGFMCJQLUAGTRT-HNNXBMFYSA-N 1 0 357.495 2.172 20 10 FECDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843291110 680996004 /nfs/dbraw/zinc/99/60/04/680996004.db2.gz BIYPUWMYAQYXRB-UHFFFAOYSA-N 1 0 351.248 2.330 20 10 FECDRO COc1cccc(S(=O)(=O)CCN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350809 680999384 /nfs/dbraw/zinc/99/93/84/680999384.db2.gz VNOXFOCMSCTAFY-UHFFFAOYSA-N 1 0 360.479 2.380 20 10 FECDRO C[C@H]([NH3+])CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000843474687 681005737 /nfs/dbraw/zinc/00/57/37/681005737.db2.gz VIXDFBOSYJIIHP-UVIKPUKZSA-N 1 0 369.537 2.193 20 10 FECDRO O=C([C@@H]1C[NH2+]CCC1(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843487097 681006491 /nfs/dbraw/zinc/00/64/91/681006491.db2.gz ZLIZVYPAGRCPMM-CABCVRRESA-N 1 0 354.397 2.145 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000843489160 681006779 /nfs/dbraw/zinc/00/67/79/681006779.db2.gz HFJPODHLGYSOQR-BXUZGUMPSA-N 1 0 354.834 2.065 20 10 FECDRO C[C@H]1C[NH+](CCCNC(=O)NCc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000844868218 681088922 /nfs/dbraw/zinc/08/89/22/681088922.db2.gz LRLBAYZWLHKRQR-STQMWFEESA-N 1 0 355.866 2.344 20 10 FECDRO CCN(C)c1ccc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)cc1 ZINC000773770998 681154821 /nfs/dbraw/zinc/15/48/21/681154821.db2.gz FYEIVODKTODQSH-UHFFFAOYSA-N 1 0 353.532 2.389 20 10 FECDRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000775832960 681340141 /nfs/dbraw/zinc/34/01/41/681340141.db2.gz DEESIHBCUCDUMB-CYBMUJFWSA-N 1 0 360.483 2.491 20 10 FECDRO COc1ccc(O)c(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000877776444 686453373 /nfs/dbraw/zinc/45/33/73/686453373.db2.gz KPWSUECZNUUDPJ-UHFFFAOYSA-N 1 0 373.194 2.029 20 10 FECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2O)[C@@H]1OC ZINC000775978418 681354409 /nfs/dbraw/zinc/35/44/09/681354409.db2.gz LJIIEADLGKFJES-KYOSRNDESA-N 1 0 360.248 2.445 20 10 FECDRO Cn1c(Cl)ncc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000848527439 681571921 /nfs/dbraw/zinc/57/19/21/681571921.db2.gz BLZDEGFCDCCSRS-AWEZNQCLSA-N 1 0 361.877 2.065 20 10 FECDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2ncc(Cl)s2)C1 ZINC000849998207 681837285 /nfs/dbraw/zinc/83/72/85/681837285.db2.gz LEYAHJBHIANBBG-NSHDSACASA-N 1 0 363.936 2.362 20 10 FECDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566191 681917489 /nfs/dbraw/zinc/91/74/89/681917489.db2.gz LMHNLAAUHSDGFB-OALUTQOASA-N 1 0 366.527 2.093 20 10 FECDRO C[NH2+]C[C@@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000851656764 682102167 /nfs/dbraw/zinc/10/21/67/682102167.db2.gz OPPCKENPIYSAHK-GFCCVEGCSA-N 1 0 356.417 2.164 20 10 FECDRO COCC(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000917457399 685532350 /nfs/dbraw/zinc/53/23/50/685532350.db2.gz PJLSRAVHNVFJBQ-UHFFFAOYSA-N 1 0 350.459 2.122 20 10 FECDRO CC(C)[C@H](NCC(F)(F)F)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792525 682343565 /nfs/dbraw/zinc/34/35/65/682343565.db2.gz YBTOYRBWJQQPSN-CABCVRRESA-N 1 0 360.424 2.045 20 10 FECDRO [NH3+]C1(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000852859852 682351098 /nfs/dbraw/zinc/35/10/98/682351098.db2.gz BZKLXMKNEPPKSM-UHFFFAOYSA-N 1 0 357.376 2.040 20 10 FECDRO Cc1cc(O)c(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1C ZINC000853530167 682428548 /nfs/dbraw/zinc/42/85/48/682428548.db2.gz BZWFMIJGZXJESJ-JSGCOSHPSA-N 1 0 351.390 2.416 20 10 FECDRO COc1ccc2ccc(O)c(C[N@@H+]3CCN(S(C)(=O)=O)[C@H](C)C3)c2c1 ZINC000853564280 682434927 /nfs/dbraw/zinc/43/49/27/682434927.db2.gz MANSHXAPGSXULJ-CYBMUJFWSA-N 1 0 364.467 2.020 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=S)NC3(C)CC3)cc2F)CC1 ZINC000789233037 682587388 /nfs/dbraw/zinc/58/73/88/682587388.db2.gz MMBBGZCTXXTMQU-UHFFFAOYSA-N 1 0 350.507 2.484 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC(C)(F)C3)cc2F)CC1 ZINC000792072780 682786467 /nfs/dbraw/zinc/78/64/67/682786467.db2.gz AGYBVMOFFUNKSF-UHFFFAOYSA-N 1 0 352.429 2.221 20 10 FECDRO CN(C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1)S(C)(=O)=O ZINC000795657901 683078061 /nfs/dbraw/zinc/07/80/61/683078061.db2.gz ZGURMSBLNSLJLK-HNNXBMFYSA-N 1 0 366.527 2.374 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1F ZINC000796482107 683164925 /nfs/dbraw/zinc/16/49/25/683164925.db2.gz JGNVGTVOOHKVSJ-ZBFHGGJFSA-N 1 0 357.495 2.089 20 10 FECDRO C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000926984794 683193802 /nfs/dbraw/zinc/19/38/02/683193802.db2.gz HXKUBCPAOJOSGE-UONOGXRCSA-N 1 0 351.878 2.353 20 10 FECDRO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000797070808 683220331 /nfs/dbraw/zinc/22/03/31/683220331.db2.gz SRRPKDXSRIMKGH-ZIAGYGMSSA-N 1 0 370.490 2.279 20 10 FECDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000921241692 683410025 /nfs/dbraw/zinc/41/00/25/683410025.db2.gz FUIQBXIMXIYAJM-UHFFFAOYSA-N 1 0 353.438 2.220 20 10 FECDRO COC(=O)C[C@]1([NH2+]Cc2c(O)cccc2Br)CCCOC1 ZINC000862328455 683570121 /nfs/dbraw/zinc/57/01/21/683570121.db2.gz OKMJKSBFUOOJBI-OAHLLOKOSA-N 1 0 358.232 2.357 20 10 FECDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862364645 683577219 /nfs/dbraw/zinc/57/72/19/683577219.db2.gz FSNFHMAKJASFQC-QWHCGFSZSA-N 1 0 355.276 2.450 20 10 FECDRO Oc1cccc(Br)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000862418308 683588344 /nfs/dbraw/zinc/58/83/44/683588344.db2.gz MQKZULLGCBSWLP-ZDUSSCGKSA-N 1 0 355.276 2.186 20 10 FECDRO C[C@@H]([NH2+]CC[S@@](=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000930209776 683693614 /nfs/dbraw/zinc/69/36/14/683693614.db2.gz IJPYEMNEAAPJFY-SFDCACGMSA-N 1 0 350.406 2.442 20 10 FECDRO C[C@H]([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1O ZINC000931553315 684302279 /nfs/dbraw/zinc/30/22/79/684302279.db2.gz BKUADNSIGKQSIV-XJKSGUPXSA-N 1 0 370.515 2.044 20 10 FECDRO Cc1csc(C)c1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000923634982 684318448 /nfs/dbraw/zinc/31/84/48/684318448.db2.gz LXWOWHIQJFTHDY-OAHLLOKOSA-N 1 0 353.513 2.409 20 10 FECDRO C[NH+](C)C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@H]1C[NH+](C)C ZINC000877669706 686433840 /nfs/dbraw/zinc/43/38/40/686433840.db2.gz VXVPFIJXAXANOI-HUUCEWRRSA-N 1 0 370.335 2.326 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CSCCS3)cc2)CC1 ZINC000881852551 687234304 /nfs/dbraw/zinc/23/43/04/687234304.db2.gz VLHMHBKHTPYDAA-KRWDZBQOSA-N 1 0 365.568 2.293 20 10 FECDRO C[C@@H](O)c1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891248904 689040066 /nfs/dbraw/zinc/04/00/66/689040066.db2.gz OLCZGEMEKOCOJF-IUODEOHRSA-N 1 0 362.499 2.295 20 10 FECDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc(N3CCSCC3)cc2)C1(F)F ZINC000894191964 689483831 /nfs/dbraw/zinc/48/38/31/689483831.db2.gz SYKIMPYQHOJNCO-LSDHHAIUSA-N 1 0 356.438 2.384 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC4(C[C@@H]3F)OCCO4)C2)cc1 ZINC000895308659 689692873 /nfs/dbraw/zinc/69/28/73/689692873.db2.gz APZPDICUOJOLAW-JCGIZDLHSA-N 1 0 350.434 2.497 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1OC ZINC000895535947 689731773 /nfs/dbraw/zinc/73/17/73/689731773.db2.gz FXVCEAIZOFCRAB-HNNXBMFYSA-N 1 0 351.443 2.475 20 10 FECDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896938574 689952749 /nfs/dbraw/zinc/95/27/49/689952749.db2.gz CGBZZPLZDPFZQR-GFCCVEGCSA-N 1 0 352.456 2.399 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]Cc2cnc3n2CCOC3)c1O ZINC000898269943 690152208 /nfs/dbraw/zinc/15/22/08/690152208.db2.gz DHWFJLVCRBFOCW-UHFFFAOYSA-N 1 0 352.232 2.480 20 10 FECDRO C[C@H](CC(C)(C)O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099252 690303885 /nfs/dbraw/zinc/30/38/85/690303885.db2.gz XOVXKNQOFGINMA-RHSMWYFYSA-N 1 0 350.507 2.204 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)CCO)[NH+](C)C)cc1 ZINC000899100508 690304482 /nfs/dbraw/zinc/30/44/82/690304482.db2.gz AJVAIQSBDLBAJG-QGZVFWFLSA-N 1 0 350.507 2.063 20 10 FECDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)N(C)C)cc1 ZINC000903447858 690894903 /nfs/dbraw/zinc/89/49/03/690894903.db2.gz DMCUELQCAZEXMH-GBESFXJTSA-N 1 0 367.559 2.301 20 10 FECDRO CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1ccccc1O ZINC000068973640 541646122 /nfs/dbraw/zinc/64/61/22/541646122.db2.gz NRNSKTQCWPFYLG-INIZCTEOSA-N 1 0 361.486 2.121 20 10 FECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000073021413 541909642 /nfs/dbraw/zinc/90/96/42/541909642.db2.gz BOQWRDMJHLYTGE-HXUWFJFHSA-N 1 0 356.466 2.395 20 10 FECDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCOCC1 ZINC000073203314 541929166 /nfs/dbraw/zinc/92/91/66/541929166.db2.gz MVNXZONPDCKNGC-UHFFFAOYSA-N 1 0 360.502 2.197 20 10 FECDRO C[N@H+](CCCO)C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093394586 542930459 /nfs/dbraw/zinc/93/04/59/542930459.db2.gz VNSKSKSKBUNMTL-UHFFFAOYSA-N 1 0 357.292 2.433 20 10 FECDRO Oc1ccc(Br)cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000093817291 542941166 /nfs/dbraw/zinc/94/11/66/542941166.db2.gz LJBWWBPCDROBLM-ZDUSSCGKSA-N 1 0 355.276 2.309 20 10 FECDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000105179545 543163802 /nfs/dbraw/zinc/16/38/02/543163802.db2.gz XUTCHJBOFJPONF-LJQANCHMSA-N 1 0 374.529 2.443 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCCOC)cc2F)CC1 ZINC000106584786 543240752 /nfs/dbraw/zinc/24/07/52/543240752.db2.gz CEGCCSBDICTIMG-UHFFFAOYSA-N 1 0 366.481 2.146 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000114750588 543534938 /nfs/dbraw/zinc/53/49/38/543534938.db2.gz YLLLQIHNPVWQNC-XJKSGUPXSA-N 1 0 371.403 2.337 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)COC)cc2F)CC1 ZINC000132161304 544221545 /nfs/dbraw/zinc/22/15/45/544221545.db2.gz OXSAUJLFIBXIQU-UHFFFAOYSA-N 1 0 351.466 2.256 20 10 FECDRO O=C(C[C@H]1COC(=O)C1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269653 544301062 /nfs/dbraw/zinc/30/10/62/544301062.db2.gz AEPZZRWNKALUGG-IUODEOHRSA-N 1 0 366.845 2.079 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000177745433 546677851 /nfs/dbraw/zinc/67/78/51/546677851.db2.gz MKEWWYPPYAQZEG-YQQQUEKLSA-N 1 0 357.498 2.402 20 10 FECDRO C[C@@]([NH3+])(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000178739323 546841177 /nfs/dbraw/zinc/84/11/77/546841177.db2.gz YOLYODWILBKJIQ-FQEVSTJZSA-N 1 0 357.429 2.153 20 10 FECDRO Cc1cccc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1O ZINC000179646968 546991867 /nfs/dbraw/zinc/99/18/67/546991867.db2.gz RMOIHJBHFNYWNJ-UHFFFAOYSA-N 1 0 364.449 2.255 20 10 FECDRO CCCOc1ccc(C[NH+]2CCC(NS(=O)(=O)CCC)CC2)c(O)c1 ZINC000180020893 547039698 /nfs/dbraw/zinc/03/96/98/547039698.db2.gz OVOVUQONXVPAPO-UHFFFAOYSA-N 1 0 370.515 2.475 20 10 FECDRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000184430227 547825009 /nfs/dbraw/zinc/82/50/09/547825009.db2.gz PEKWCYZWKHPZHR-UHFFFAOYSA-N 1 0 350.415 2.361 20 10 FECDRO O=C([C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2)N1CCOCC1 ZINC000185168471 547944811 /nfs/dbraw/zinc/94/48/11/547944811.db2.gz ZEJKPLMGMOAWJR-FQEVSTJZSA-N 1 0 366.461 2.181 20 10 FECDRO C[C@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1cc(F)ccc1O ZINC000185339879 547973175 /nfs/dbraw/zinc/97/31/75/547973175.db2.gz DUCLOWDPKZKGBH-ZDUSSCGKSA-N 1 0 372.444 2.479 20 10 FECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000186396587 548130226 /nfs/dbraw/zinc/13/02/26/548130226.db2.gz YSZZILXIIUKFSE-OAHLLOKOSA-N 1 0 362.470 2.180 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186516896 548146384 /nfs/dbraw/zinc/14/63/84/548146384.db2.gz YFFIWQIZKZGQSD-DNXKIMQPSA-N 1 0 355.482 2.279 20 10 FECDRO COc1ccc(N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cc1F ZINC000194735064 548523449 /nfs/dbraw/zinc/52/34/49/548523449.db2.gz JWVPWZTUZQRKKL-UHFFFAOYSA-N 1 0 361.461 2.357 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3ncnc4nc[nH]c43)cc2F)CC1 ZINC000264436989 549996027 /nfs/dbraw/zinc/99/60/27/549996027.db2.gz VXQMNQPFKXYHIQ-UHFFFAOYSA-N 1 0 355.421 2.246 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)n3cccn3)cc2F)CC1 ZINC000264484388 549996701 /nfs/dbraw/zinc/99/67/01/549996701.db2.gz JFAXWCKIAMGSPZ-OAHLLOKOSA-N 1 0 359.449 2.042 20 10 FECDRO CN(C)c1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1F ZINC000267173348 550028240 /nfs/dbraw/zinc/02/82/40/550028240.db2.gz LLUNWKVCBOEVQJ-KRWDZBQOSA-N 1 0 354.495 2.128 20 10 FECDRO CC1CC[NH+](CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000268611871 550093903 /nfs/dbraw/zinc/09/39/03/550093903.db2.gz HOMAQUYPBXVELM-UHFFFAOYSA-N 1 0 363.477 2.135 20 10 FECDRO O=C(C[NH2+]CC1CC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000269230316 550169804 /nfs/dbraw/zinc/16/98/04/550169804.db2.gz CIZQARKAKAKEFX-UHFFFAOYSA-N 1 0 371.403 2.158 20 10 FECDRO COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000270456202 550274074 /nfs/dbraw/zinc/27/40/74/550274074.db2.gz KAFZDEFQLRKYPP-SFHVURJKSA-N 1 0 366.421 2.331 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000271855313 550406143 /nfs/dbraw/zinc/40/61/43/550406143.db2.gz SDIOZJVDOUFDHX-CHWSQXEVSA-N 1 0 361.394 2.220 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCO[C@H](C)C3)cc2F)CC1 ZINC000271986397 550414836 /nfs/dbraw/zinc/41/48/36/550414836.db2.gz PIYLDBQELVYCQP-NVXWUHKLSA-N 1 0 363.477 2.399 20 10 FECDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(O)c1 ZINC000271989457 550414996 /nfs/dbraw/zinc/41/49/96/550414996.db2.gz KZCBYROVYQHRAP-YJBOKZPZSA-N 1 0 369.483 2.007 20 10 FECDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cc(F)ccc3O)CC2)n1 ZINC000272442198 550448305 /nfs/dbraw/zinc/44/83/05/550448305.db2.gz ORXCCIAWBXZDHY-ZDUSSCGKSA-N 1 0 364.421 2.330 20 10 FECDRO CCOCc1cc(C[NH2+]CCCOCCOCCOC)ccc1OC ZINC000274385859 550535499 /nfs/dbraw/zinc/53/54/99/550535499.db2.gz JSJGLUQEDCKOEL-UHFFFAOYSA-N 1 0 355.475 2.391 20 10 FECDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000276859572 550604050 /nfs/dbraw/zinc/60/40/50/550604050.db2.gz AZEJJZPDFVAGRZ-UHFFFAOYSA-N 1 0 352.500 2.304 20 10 FECDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143720 550754176 /nfs/dbraw/zinc/75/41/76/550754176.db2.gz BJEYLRAKHNKVCF-MFKMUULPSA-N 1 0 350.293 2.197 20 10 FECDRO CCCOc1ccc(C[N@@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)c(O)c1 ZINC000278748023 550817455 /nfs/dbraw/zinc/81/74/55/550817455.db2.gz RTKHSRJYAMFCKF-CRAIPNDOSA-N 1 0 353.459 2.027 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000279871444 550938021 /nfs/dbraw/zinc/93/80/21/550938021.db2.gz DKFFEHOAYGAWKY-HWMZRRJGSA-N 1 0 363.477 2.444 20 10 FECDRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Br)ccc1O ZINC000282853518 551277904 /nfs/dbraw/zinc/27/79/04/551277904.db2.gz UFECNCHMMJQSQE-GFCCVEGCSA-N 1 0 374.275 2.363 20 10 FECDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286569076 551901041 /nfs/dbraw/zinc/90/10/41/551901041.db2.gz PNWSAZCRQZQITH-CVVMMBEDSA-N 1 0 357.498 2.066 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000289947855 552403990 /nfs/dbraw/zinc/40/39/90/552403990.db2.gz YPAUSVZNYCPWLC-LIRRHRJNSA-N 1 0 361.442 2.134 20 10 FECDRO COc1cc(O)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1OC ZINC000294696926 552927665 /nfs/dbraw/zinc/92/76/65/552927665.db2.gz CQMJAMOKNBRAGS-UONOGXRCSA-N 1 0 356.422 2.190 20 10 FECDRO COCCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000294951379 552946711 /nfs/dbraw/zinc/94/67/11/552946711.db2.gz QEERCAWBBAFJEP-GFCCVEGCSA-N 1 0 365.854 2.210 20 10 FECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000296457434 553163055 /nfs/dbraw/zinc/16/30/55/553163055.db2.gz OOPKLNFWFGNJCL-LLVKDONJSA-N 1 0 351.786 2.304 20 10 FECDRO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+](C2CC2)C1 ZINC000296706370 553200694 /nfs/dbraw/zinc/20/06/94/553200694.db2.gz LKXLLHIRJXQQPI-QGZVFWFLSA-N 1 0 358.530 2.127 20 10 FECDRO COc1cc([N+](=O)[O-])c(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1OC ZINC000301923734 553692655 /nfs/dbraw/zinc/69/26/55/553692655.db2.gz LUWCHXGSSZHBFC-ZDUSSCGKSA-N 1 0 365.430 2.302 20 10 FECDRO CN(C)c1ccc(C2=CCN(C(=O)NCCCC[NH+]3CCOCC3)C2)cc1 ZINC000363874543 555204142 /nfs/dbraw/zinc/20/41/42/555204142.db2.gz IJYYKIZTVGYSQT-UHFFFAOYSA-N 1 0 372.513 2.274 20 10 FECDRO COc1ccc(N2CCC(N(C)C(=O)c3ccn(C)c(=O)c3)CC2)cc1 ZINC000364059368 555242474 /nfs/dbraw/zinc/24/24/74/555242474.db2.gz ZTJXBNUBYYDKCA-UHFFFAOYSA-N 1 0 355.438 2.135 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000365533973 555601496 /nfs/dbraw/zinc/60/14/96/555601496.db2.gz DIXYUGKGPOHGGC-NRSPTQNISA-N 1 0 370.541 2.127 20 10 FECDRO CCOc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1O ZINC000370829693 556981767 /nfs/dbraw/zinc/98/17/67/556981767.db2.gz IFHUBHVNUQGWMO-OAHLLOKOSA-N 1 0 355.438 2.258 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000372876033 557580583 /nfs/dbraw/zinc/58/05/83/557580583.db2.gz JUAGLOUGZWYWCL-PTSWNOGYSA-N 1 0 355.486 2.356 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2c2nccn2C)cc1 ZINC000372953689 557595599 /nfs/dbraw/zinc/59/55/99/557595599.db2.gz VAWXQSSZZVPWFX-GOSISDBHSA-N 1 0 355.486 2.282 20 10 FECDRO COc1ccc(N2CCC(N(C)C(=O)C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000373049458 557616925 /nfs/dbraw/zinc/61/69/25/557616925.db2.gz NMHLMYQNKXBNKY-INIZCTEOSA-N 1 0 373.497 2.381 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)CC2)cc1 ZINC000375267156 558001552 /nfs/dbraw/zinc/00/15/52/558001552.db2.gz OTAXGMBFQOHAMQ-LPHOPBHVSA-N 1 0 350.503 2.412 20 10 FECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1O ZINC000375363433 558015699 /nfs/dbraw/zinc/01/56/99/558015699.db2.gz SZQGKKCJJWOUKR-NXEZZACHSA-N 1 0 352.740 2.150 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1OC ZINC000375407039 558022165 /nfs/dbraw/zinc/02/21/65/558022165.db2.gz VUVZHCALPPMZOJ-QMTMVMCOSA-N 1 0 351.443 2.161 20 10 FECDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000375751712 558077161 /nfs/dbraw/zinc/07/71/61/558077161.db2.gz VTPTXHHMQZJRRS-IBGZPJMESA-N 1 0 372.513 2.293 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC[NH+](C)C)C1 ZINC000444263561 560107165 /nfs/dbraw/zinc/10/71/65/560107165.db2.gz GWJOJYUNKNNANX-UHFFFAOYSA-N 1 0 356.514 2.428 20 10 FECDRO COCC(COC)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000456222943 560512196 /nfs/dbraw/zinc/51/21/96/560512196.db2.gz JAXPDPYFGGUURB-UHFFFAOYSA-N 1 0 373.497 2.185 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000809688901 674505203 /nfs/dbraw/zinc/50/52/03/674505203.db2.gz REOVWVFXXQPEJZ-SFHVURJKSA-N 1 0 353.532 2.389 20 10 FECDRO CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810263732 674538441 /nfs/dbraw/zinc/53/84/41/674538441.db2.gz RUANWHNSBCRWND-GFCCVEGCSA-N 1 0 354.394 2.343 20 10 FECDRO CCCS(=O)(=O)NC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000054514220 670337838 /nfs/dbraw/zinc/33/78/38/670337838.db2.gz DDEXSHFKPQSQEH-UHFFFAOYSA-N 1 0 352.500 2.175 20 10 FECDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000129243708 672059636 /nfs/dbraw/zinc/05/96/36/672059636.db2.gz QTSNMVMQXSXLNV-UHFFFAOYSA-N 1 0 353.894 2.422 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1O ZINC000159533873 672283085 /nfs/dbraw/zinc/28/30/85/672283085.db2.gz PUTMESBZBLWACS-ZJUUUORDSA-N 1 0 357.248 2.249 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1O ZINC000177283481 672381746 /nfs/dbraw/zinc/38/17/46/672381746.db2.gz DEEBXJUBORKQRS-QGZVFWFLSA-N 1 0 350.434 2.421 20 10 FECDRO CC(C)(C[NH2+]Cc1ccc(Br)cc1O)CS(C)(=O)=O ZINC000723874280 673086947 /nfs/dbraw/zinc/08/69/47/673086947.db2.gz BDWSFWFOBGKMAI-UHFFFAOYSA-N 1 0 350.278 2.315 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734269579 673458356 /nfs/dbraw/zinc/45/83/56/673458356.db2.gz GPVNSFULUYUBJH-MRXNPFEDSA-N 1 0 360.527 2.276 20 10 FECDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819039822 675254609 /nfs/dbraw/zinc/25/46/09/675254609.db2.gz ULAQTJLTJHPREZ-XLIONFOSSA-N 1 0 350.503 2.425 20 10 FECDRO COc1ccc(N2CC[C@H](CNC(=O)C[N@H+](C)[C@H]3CCSC3)C2)cc1 ZINC000819586855 675302830 /nfs/dbraw/zinc/30/28/30/675302830.db2.gz VCCOGKHHTNKTPU-WBVHZDCISA-N 1 0 363.527 2.075 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H](S(C)(=O)=O)C3)C2)cc1 ZINC000822494114 675488286 /nfs/dbraw/zinc/48/82/86/675488286.db2.gz GRWHLKCYWOSMOJ-GPMSIDNRSA-N 1 0 366.527 2.467 20 10 FECDRO Oc1cc(Br)ccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000824528685 675608762 /nfs/dbraw/zinc/60/87/62/675608762.db2.gz BJWFANPSENNCEB-HNNXBMFYSA-N 1 0 355.276 2.451 20 10 FECDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000825520006 675657387 /nfs/dbraw/zinc/65/73/87/675657387.db2.gz QZJQNXPCDKTGOJ-OAHLLOKOSA-N 1 0 360.248 2.337 20 10 FECDRO Cc1cc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000829993849 677020628 /nfs/dbraw/zinc/02/06/28/677020628.db2.gz NCSWCVNIAKVDGZ-SFHVURJKSA-N 1 0 365.543 2.451 20 10 FECDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000830665221 677053413 /nfs/dbraw/zinc/05/34/13/677053413.db2.gz QZIISRFVHGKBJX-SJKOYZFVSA-N 1 0 357.376 2.075 20 10 FECDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc32)c2ccccc21 ZINC000634533175 677076956 /nfs/dbraw/zinc/07/69/56/677076956.db2.gz GPXVAVFKOOSHMG-NSHDSACASA-N 1 0 360.464 2.333 20 10 FECDRO C[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC[N@@H+]1C ZINC000761283177 680717964 /nfs/dbraw/zinc/71/79/64/680717964.db2.gz RGJMDKZXCJUYNG-FZMZJTMJSA-N 1 0 351.834 2.293 20 10 FECDRO Cc1cnn(C)c1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000839708768 680773421 /nfs/dbraw/zinc/77/34/21/680773421.db2.gz NCEJXFFLAGYOEX-OAHLLOKOSA-N 1 0 362.861 2.482 20 10 FECDRO Cc1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)cn1 ZINC000764892034 680823565 /nfs/dbraw/zinc/82/35/65/680823565.db2.gz QUUFSFSMZHWPTH-PTNGSMBKSA-N 1 0 363.508 2.314 20 10 FECDRO Cc1cc(Br)cc(C)c1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000841050044 680861087 /nfs/dbraw/zinc/86/10/87/680861087.db2.gz DCUHKWGIFSJMQS-UHFFFAOYSA-N 1 0 369.307 2.483 20 10 FECDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1 ZINC000841059759 680861406 /nfs/dbraw/zinc/86/14/06/680861406.db2.gz BKLGCWMGOZUEKB-LLVKDONJSA-N 1 0 364.496 2.400 20 10 FECDRO C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979035 680862066 /nfs/dbraw/zinc/86/20/66/680862066.db2.gz HHPPSCXMQKGRHJ-MRXNPFEDSA-N 1 0 366.527 2.216 20 10 FECDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1[O-] ZINC000841087629 680862694 /nfs/dbraw/zinc/86/26/94/680862694.db2.gz OILOPMJVNANCOJ-UHFFFAOYSA-N 1 0 368.865 2.260 20 10 FECDRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000834910791 680281665 /nfs/dbraw/zinc/28/16/65/680281665.db2.gz ZOUIMSCQSMELOA-ACJLOTCBSA-N 1 0 351.878 2.496 20 10 FECDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCCS3(=O)=O)CC2)cc1 ZINC000753568279 680304548 /nfs/dbraw/zinc/30/45/48/680304548.db2.gz MNKQKHVSBGWXND-SFHVURJKSA-N 1 0 352.500 2.221 20 10 FECDRO CCCSC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000756341741 680473643 /nfs/dbraw/zinc/47/36/43/680473643.db2.gz ZJBUCPYCFZUWQO-QGZVFWFLSA-N 1 0 351.516 2.124 20 10 FECDRO C[NH+](C)CCCCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709710 680638411 /nfs/dbraw/zinc/63/84/11/680638411.db2.gz OGJFWPDWZKFRKQ-UHFFFAOYSA-N 1 0 355.429 2.150 20 10 FECDRO [NH3+]CC[C@H](NC(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC000841332489 680873423 /nfs/dbraw/zinc/87/34/23/680873423.db2.gz GHIJPYQZTBRECY-VIFPVBQESA-N 1 0 370.169 2.234 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000766439971 680876883 /nfs/dbraw/zinc/87/68/83/680876883.db2.gz ZJEXVIXJYHLGFF-SUMWQHHRSA-N 1 0 351.878 2.448 20 10 FECDRO C[C@@H](C[NH3+])CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782696 680912200 /nfs/dbraw/zinc/91/22/00/680912200.db2.gz QBGYQSBIDCVZCZ-LBPRGKRZSA-N 1 0 356.417 2.151 20 10 FECDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)cc(C)c2O)CCOC1 ZINC000768533151 680949426 /nfs/dbraw/zinc/94/94/26/680949426.db2.gz HOZZEBFITKEPRJ-HNNXBMFYSA-N 1 0 358.232 2.275 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(=O)COC)CC2)cc1F ZINC000768884355 680963304 /nfs/dbraw/zinc/96/33/04/680963304.db2.gz FXGKQWSJINIMHR-UHFFFAOYSA-N 1 0 351.466 2.399 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)s1 ZINC000842785746 680966301 /nfs/dbraw/zinc/96/63/01/680966301.db2.gz KIZCOJMHCSVPNP-HNNXBMFYSA-N 1 0 353.513 2.409 20 10 FECDRO Fc1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)ccc1N1CCOCC1 ZINC000770751767 681026451 /nfs/dbraw/zinc/02/64/51/681026451.db2.gz BKOUBGPMABQAGO-LPHOPBHVSA-N 1 0 350.434 2.090 20 10 FECDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844177743 681043332 /nfs/dbraw/zinc/04/33/32/681043332.db2.gz GAMKZPZEPJJWBT-LYRGGWFBSA-N 1 0 351.397 2.123 20 10 FECDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844582411 681066960 /nfs/dbraw/zinc/06/69/60/681066960.db2.gz JKJYOZAEDGLUTF-KRWDZBQOSA-N 1 0 364.559 2.422 20 10 FECDRO COCC[C@]1([NH2+]Cc2cc(Br)cc(OC)c2O)CCOC1 ZINC000775031681 681269511 /nfs/dbraw/zinc/26/95/11/681269511.db2.gz DMMXXJQERGYHEA-HNNXBMFYSA-N 1 0 360.248 2.449 20 10 FECDRO C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775260067 681290900 /nfs/dbraw/zinc/29/09/00/681290900.db2.gz MQVHGXLLRAHOQD-ZDUSSCGKSA-N 1 0 359.392 2.242 20 10 FECDRO Cc1cc(Br)cc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000775676547 681323624 /nfs/dbraw/zinc/32/36/24/681323624.db2.gz TWQHFXADVCYTIV-HOTGVXAUSA-N 1 0 369.303 2.494 20 10 FECDRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCCSc1nccs1 ZINC000849112119 681655997 /nfs/dbraw/zinc/65/59/97/681655997.db2.gz WCOZBMBXXRUHFT-UHFFFAOYSA-N 1 0 359.521 2.264 20 10 FECDRO COc1cc(C[NH2+]CCCN(C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850030327 681843224 /nfs/dbraw/zinc/84/32/24/681843224.db2.gz IFKBRAOMDDUTHK-UHFFFAOYSA-N 1 0 358.504 2.069 20 10 FECDRO COc1cc(C[NH2+]CCS(=O)(=O)NC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850119352 681853550 /nfs/dbraw/zinc/85/35/50/681853550.db2.gz NQSLJKSEIOVCKM-UHFFFAOYSA-N 1 0 358.504 2.116 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](C)S(=O)(=O)C3)CC2)cc1 ZINC000850369469 681894239 /nfs/dbraw/zinc/89/42/39/681894239.db2.gz KPSUSIQKJGVGFR-GDBMZVCRSA-N 1 0 352.500 2.219 20 10 FECDRO CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000853434710 682413022 /nfs/dbraw/zinc/41/30/22/682413022.db2.gz CQLZPAFFGISJFN-GOSISDBHSA-N 1 0 362.543 2.475 20 10 FECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCOCC[NH+](C)C ZINC000788016952 682497399 /nfs/dbraw/zinc/49/73/99/682497399.db2.gz HORWAXSJONGKKH-UHFFFAOYSA-N 1 0 350.507 2.251 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000793023438 682858042 /nfs/dbraw/zinc/85/80/42/682858042.db2.gz ZPVCHTZHMZKNJC-CYBMUJFWSA-N 1 0 350.406 2.438 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c(Cl)c1 ZINC000858244378 682948586 /nfs/dbraw/zinc/94/85/86/682948586.db2.gz WDZQYRKTGXPTHF-GFCCVEGCSA-N 1 0 358.833 2.160 20 10 FECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000858280459 682952371 /nfs/dbraw/zinc/95/23/71/682952371.db2.gz SYQCPIZWPLETPB-CYBMUJFWSA-N 1 0 352.431 2.126 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2COCCN2C)c1O ZINC000858522898 682976499 /nfs/dbraw/zinc/97/64/99/682976499.db2.gz KYSUHZGLZGDLIR-ZYHUDNBSSA-N 1 0 359.264 2.145 20 10 FECDRO Cc1cccc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)c1O ZINC000798086520 683307356 /nfs/dbraw/zinc/30/73/56/683307356.db2.gz PNDMSYSHKJYBIM-UHFFFAOYSA-N 1 0 352.431 2.250 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000861549794 683434249 /nfs/dbraw/zinc/43/42/49/683434249.db2.gz QNDWNDZMBPNGTR-ZFWWWQNUSA-N 1 0 358.408 2.421 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC(F)(F)C1 ZINC000862279092 683564012 /nfs/dbraw/zinc/56/40/12/683564012.db2.gz LRMDPFIHWZCWFR-CYBMUJFWSA-N 1 0 358.454 2.445 20 10 FECDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000922589066 683749716 /nfs/dbraw/zinc/74/97/16/683749716.db2.gz GPPWBLSIZAOWBW-CQSZACIVSA-N 1 0 373.291 2.364 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)c1O ZINC000923017572 683819937 /nfs/dbraw/zinc/81/99/37/683819937.db2.gz BOTSKKVHQFHADB-UONOGXRCSA-N 1 0 372.259 2.183 20 10 FECDRO CCOc1cccc(C[NH2+]CCc2ccc(S(=O)(=O)NC)cc2)c1O ZINC000865819370 684033507 /nfs/dbraw/zinc/03/35/07/684033507.db2.gz RJSQKYGKIVAYPW-UHFFFAOYSA-N 1 0 364.467 2.031 20 10 FECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1O ZINC000866492190 684110955 /nfs/dbraw/zinc/11/09/55/684110955.db2.gz KWMJHPZFODAOCJ-DAXOMENPSA-N 1 0 368.499 2.444 20 10 FECDRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000866493265 684111271 /nfs/dbraw/zinc/11/12/71/684111271.db2.gz YVRLMNFDJYDZKR-BZUAXINKSA-N 1 0 350.484 2.362 20 10 FECDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000866579961 684122601 /nfs/dbraw/zinc/12/26/01/684122601.db2.gz VTMCGXMKSZPOPT-LBPRGKRZSA-N 1 0 352.431 2.333 20 10 FECDRO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866765551 684147901 /nfs/dbraw/zinc/14/79/01/684147901.db2.gz YSKRBJWMQRNILB-HZPDHXFCSA-N 1 0 367.877 2.041 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@H](O)Cn3cc(C)c(Cl)n3)CC2)cc1 ZINC000871984720 684904101 /nfs/dbraw/zinc/90/41/01/684904101.db2.gz FIMOZNMFPLUOHV-INIZCTEOSA-N 1 0 364.877 2.037 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000877030397 686314492 /nfs/dbraw/zinc/31/44/92/686314492.db2.gz FSODAYRABZOJGB-CYBMUJFWSA-N 1 0 363.310 2.205 20 10 FECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)C(F)(F)F ZINC000883366465 687615307 /nfs/dbraw/zinc/61/53/07/687615307.db2.gz UDTNBYFZBKIFAH-ZDUSSCGKSA-N 1 0 354.319 2.171 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCCC(F)(F)C3)cc2)CC1 ZINC000889661402 688803610 /nfs/dbraw/zinc/80/36/10/688803610.db2.gz ZNJMYUABPYXHRP-UHFFFAOYSA-N 1 0 352.429 2.379 20 10 FECDRO CSC[C@@H]1CCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666270 688804029 /nfs/dbraw/zinc/80/40/29/688804029.db2.gz JFTHITHXMWHCPG-SFHVURJKSA-N 1 0 362.543 2.475 20 10 FECDRO CO[C@@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC000891245396 689039598 /nfs/dbraw/zinc/03/95/98/689039598.db2.gz DGSAWONNORTCFK-CABCVRRESA-N 1 0 361.408 2.439 20 10 FECDRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCCCSc1nccs1)C2 ZINC000891674550 689090734 /nfs/dbraw/zinc/09/07/34/689090734.db2.gz NJJSNRSXRBQIHQ-UHFFFAOYSA-N 1 0 369.541 2.308 20 10 FECDRO COc1cc(C)cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1O ZINC000895614882 689744623 /nfs/dbraw/zinc/74/46/23/689744623.db2.gz WUHZBFVWOJSKEQ-UHFFFAOYSA-N 1 0 356.488 2.049 20 10 FECDRO COc1ccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c(O)c1OC ZINC000895619898 689745461 /nfs/dbraw/zinc/74/54/61/689745461.db2.gz OFIJNTPQCZFXQQ-UHFFFAOYSA-N 1 0 350.459 2.096 20 10 FECDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896210901 689838293 /nfs/dbraw/zinc/83/82/93/689838293.db2.gz OYAXMVAUGGFWRB-GFCCVEGCSA-N 1 0 350.440 2.153 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3cccnc3Cl)cc2)CC1 ZINC000899211066 690320178 /nfs/dbraw/zinc/32/01/78/690320178.db2.gz ICPHDGYSXAQTPI-UHFFFAOYSA-N 1 0 358.873 2.346 20 10 FECDRO Cc1occc1C(=O)NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000066795758 541373972 /nfs/dbraw/zinc/37/39/72/541373972.db2.gz DUTANDYZNBZHEM-UHFFFAOYSA-N 1 0 358.394 2.417 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000071952636 541776317 /nfs/dbraw/zinc/77/63/17/541776317.db2.gz RQNBUQXOKNEUCU-HXUWFJFHSA-N 1 0 358.530 2.271 20 10 FECDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000073821928 542004654 /nfs/dbraw/zinc/00/46/54/542004654.db2.gz ZCXPGYQSOFSZPU-LJQANCHMSA-N 1 0 374.529 2.397 20 10 FECDRO COc1ccc(N2CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC2)cc1F ZINC000084891979 542721823 /nfs/dbraw/zinc/72/18/23/542721823.db2.gz LFDZHEKXMMFUCQ-AWEZNQCLSA-N 1 0 352.454 2.006 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(N2CCC(O)CC2)cc1 ZINC000089677716 542768462 /nfs/dbraw/zinc/76/84/62/542768462.db2.gz WWZBSYOLFAPUKQ-IERDGZPVSA-N 1 0 359.514 2.162 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089682350 542769233 /nfs/dbraw/zinc/76/92/33/542769233.db2.gz ZZDLUKFFDHLQLP-QAPCUYQASA-N 1 0 363.477 2.176 20 10 FECDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000092666002 542879603 /nfs/dbraw/zinc/87/96/03/542879603.db2.gz BCIOGBGUQSPENE-HZPDHXFCSA-N 1 0 361.486 2.111 20 10 FECDRO CN(C)c1ccc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000093142098 542912222 /nfs/dbraw/zinc/91/22/22/542912222.db2.gz IWJMSZMRQGTQAL-UHFFFAOYSA-N 1 0 358.530 2.129 20 10 FECDRO Oc1ccc(Br)cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000093817292 542941307 /nfs/dbraw/zinc/94/13/07/542941307.db2.gz LJBWWBPCDROBLM-CYBMUJFWSA-N 1 0 355.276 2.309 20 10 FECDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805199446 674325604 /nfs/dbraw/zinc/32/56/04/674325604.db2.gz SZRISMLUZWWGPX-HZMBPMFUSA-N 1 0 368.275 2.437 20 10 FECDRO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000165185078 546152057 /nfs/dbraw/zinc/15/20/57/546152057.db2.gz HUUMOEVRHNTBLA-UZLBHIALSA-N 1 0 353.466 2.476 20 10 FECDRO CC[N@H+](CCN1C(=O)CCC1=O)Cc1cc(Br)ccc1O ZINC000174422645 546295483 /nfs/dbraw/zinc/29/54/83/546295483.db2.gz KBVJERCGWKAEII-UHFFFAOYSA-N 1 0 355.232 2.126 20 10 FECDRO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000177071053 546539206 /nfs/dbraw/zinc/53/92/06/546539206.db2.gz XZFZZLIGSSMNID-HNXULLEBSA-N 1 0 355.482 2.278 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000186100578 548084076 /nfs/dbraw/zinc/08/40/76/548084076.db2.gz PMCHZAOJFROGMP-GFCCVEGCSA-N 1 0 354.472 2.008 20 10 FECDRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(F)ccc1O ZINC000186159048 548092682 /nfs/dbraw/zinc/09/26/82/548092682.db2.gz DJYXXFSLHDNJKV-JQWIXIFHSA-N 1 0 359.444 2.078 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000237074625 548798170 /nfs/dbraw/zinc/79/81/70/548798170.db2.gz YIYIXFPDJDLHJK-LJQANCHMSA-N 1 0 356.466 2.300 20 10 FECDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC[NH2+]CC1 ZINC000237892908 548862157 /nfs/dbraw/zinc/86/21/57/548862157.db2.gz VVNJNJQKDDLXCZ-CQSZACIVSA-N 1 0 353.413 2.373 20 10 FECDRO COc1ccnc(N2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)c1 ZINC000271077694 550338536 /nfs/dbraw/zinc/33/85/36/550338536.db2.gz HRDDOTSXIPHQKY-UHFFFAOYSA-N 1 0 359.426 2.135 20 10 FECDRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271177824 550348762 /nfs/dbraw/zinc/34/87/62/550348762.db2.gz LAXWLEJRBHRWCU-KRWDZBQOSA-N 1 0 351.516 2.177 20 10 FECDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000272491609 550453071 /nfs/dbraw/zinc/45/30/71/550453071.db2.gz TZSDRMWPNFNORZ-IUODEOHRSA-N 1 0 373.469 2.453 20 10 FECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000273417890 550497945 /nfs/dbraw/zinc/49/79/45/550497945.db2.gz REIFOMDQNDTQEV-MAUKXSAKSA-N 1 0 363.502 2.101 20 10 FECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000273595143 550504682 /nfs/dbraw/zinc/50/46/82/550504682.db2.gz QJCNTTLUMFTZNO-OAHLLOKOSA-N 1 0 363.502 2.103 20 10 FECDRO COc1cc(Cl)cc(CN2CCN(C(=O)c3ccccn3)CC2)c1O ZINC000273798954 550511632 /nfs/dbraw/zinc/51/16/32/550511632.db2.gz WTCAHTUMZYFACM-UHFFFAOYSA-N 1 0 361.829 2.407 20 10 FECDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000274733883 550551229 /nfs/dbraw/zinc/55/12/29/550551229.db2.gz BLCPCQVFBPXNJO-ZDUSSCGKSA-N 1 0 363.435 2.381 20 10 FECDRO C[C@H](CNC(=O)NCc1cccc(Br)c1O)[N@H+](C)C1CC1 ZINC000277654030 550696911 /nfs/dbraw/zinc/69/69/11/550696911.db2.gz YOQMTQOYHADDLL-SNVBAGLBSA-N 1 0 356.264 2.437 20 10 FECDRO CCOC1CC(C[NH2+]Cc2ccc(N(C)C)c(F)c2)(N2CCOCC2)C1 ZINC000277715636 550705576 /nfs/dbraw/zinc/70/55/76/550705576.db2.gz NAAVMMHTTBMDSN-UHFFFAOYSA-N 1 0 365.493 2.251 20 10 FECDRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Br)ccc1O ZINC000282853524 551277983 /nfs/dbraw/zinc/27/79/83/551277983.db2.gz UFECNCHMMJQSQE-LBPRGKRZSA-N 1 0 374.275 2.363 20 10 FECDRO O=S1(=O)CCC[C@@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000283949844 551455832 /nfs/dbraw/zinc/45/58/32/551455832.db2.gz DKVRQZDUVINOMM-DOTOQJQBSA-N 1 0 353.484 2.198 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1 ZINC000284492809 551561743 /nfs/dbraw/zinc/56/17/43/551561743.db2.gz JTTAZPVIGQOIHT-WIYYLYMNSA-N 1 0 367.497 2.470 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000284816533 551641023 /nfs/dbraw/zinc/64/10/23/551641023.db2.gz LVYPKNVMPBTWSL-UHFFFAOYSA-N 1 0 374.529 2.090 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287719934 552038282 /nfs/dbraw/zinc/03/82/82/552038282.db2.gz JWYRCRKZUXKJOJ-UHFFFAOYSA-N 1 0 361.486 2.121 20 10 FECDRO COc1cc(O)c(C[NH2+]CCn2cc(Br)cn2)cc1OC ZINC000289792046 552379348 /nfs/dbraw/zinc/37/93/48/552379348.db2.gz SBVRCYAWVUUTEV-UHFFFAOYSA-N 1 0 356.220 2.158 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNCc3cn(C(C)C)nn3)CC2)cc1 ZINC000289881307 552393870 /nfs/dbraw/zinc/39/38/70/552393870.db2.gz XDXHDGQIAIZUPT-UHFFFAOYSA-N 1 0 372.517 2.170 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CSC3CC3)CC2)cc1 ZINC000294378779 552901627 /nfs/dbraw/zinc/90/16/27/552901627.db2.gz KUVSZCSVCFBFAX-UHFFFAOYSA-N 1 0 363.527 2.219 20 10 FECDRO COCCOC1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CCOCC1 ZINC000294919846 552944238 /nfs/dbraw/zinc/94/42/38/552944238.db2.gz YPXJSOAMRCFMOH-UHFFFAOYSA-N 1 0 359.850 2.356 20 10 FECDRO C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000296417500 553156671 /nfs/dbraw/zinc/15/66/71/553156671.db2.gz LEIROULWIMUALB-LPHOPBHVSA-N 1 0 366.527 2.267 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000298540233 553437759 /nfs/dbraw/zinc/43/77/59/553437759.db2.gz BGMXIKHAKXTSFX-KRWDZBQOSA-N 1 0 373.497 2.075 20 10 FECDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000299469536 553567527 /nfs/dbraw/zinc/56/75/27/553567527.db2.gz UXERASZGKDIGFR-ZDUSSCGKSA-N 1 0 371.503 2.004 20 10 FECDRO C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCN(C)CC1 ZINC000299688496 553601626 /nfs/dbraw/zinc/60/16/26/553601626.db2.gz TWGWEPNRILREFK-SFHVURJKSA-N 1 0 358.530 2.271 20 10 FECDRO O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363706155 555168160 /nfs/dbraw/zinc/16/81/60/555168160.db2.gz AEPZZRWNKALUGG-WFASDCNBSA-N 1 0 366.845 2.079 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000364231774 555274956 /nfs/dbraw/zinc/27/49/56/555274956.db2.gz QPZQYPQSCSQJPZ-KRWDZBQOSA-N 1 0 365.905 2.460 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c1O ZINC000365835976 555679075 /nfs/dbraw/zinc/67/90/75/555679075.db2.gz HNLDTMXOVLYFEW-CYBMUJFWSA-N 1 0 350.434 2.419 20 10 FECDRO C[C@@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000370654471 556932319 /nfs/dbraw/zinc/93/23/19/556932319.db2.gz YZSAWWHKRRYYTL-QGZVFWFLSA-N 1 0 358.530 2.490 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 ZINC000371331600 557148905 /nfs/dbraw/zinc/14/89/05/557148905.db2.gz JGEKYWCNTATKMU-FQEVSTJZSA-N 1 0 358.486 2.343 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)c3cc(C)on3)CC2)c1 ZINC000371416484 557179033 /nfs/dbraw/zinc/17/90/33/557179033.db2.gz MRPQIOOTXKFCHE-UHFFFAOYSA-N 1 0 359.426 2.482 20 10 FECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000372177684 557400591 /nfs/dbraw/zinc/40/05/91/557400591.db2.gz DGYFSQFGPFEVIX-AWEZNQCLSA-N 1 0 354.450 2.244 20 10 FECDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000372293669 557432030 /nfs/dbraw/zinc/43/20/30/557432030.db2.gz FUQVCWFIRQKDAB-SFHVURJKSA-N 1 0 373.497 2.279 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373254661 557659195 /nfs/dbraw/zinc/65/91/95/557659195.db2.gz FXYMPQJWBMJFFR-UONOGXRCSA-N 1 0 355.438 2.429 20 10 FECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1=CCOCC1 ZINC000373534862 557712786 /nfs/dbraw/zinc/71/27/86/557712786.db2.gz DXVDCHIEUATLFY-INIZCTEOSA-N 1 0 350.846 2.473 20 10 FECDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1 ZINC000377305637 558311251 /nfs/dbraw/zinc/31/12/51/558311251.db2.gz DBDUBVRAEQCJNR-UHFFFAOYSA-N 1 0 354.454 2.290 20 10 FECDRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000736818675 599108509 /nfs/dbraw/zinc/10/85/09/599108509.db2.gz UJLWMQLYGMUGAR-UHFFFAOYSA-N 1 0 364.453 2.335 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@H](CO)c2cccnc2)c1O ZINC000808431700 674458915 /nfs/dbraw/zinc/45/89/15/674458915.db2.gz XPCDQLHNGDCPQE-ZDUSSCGKSA-N 1 0 367.243 2.424 20 10 FECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821109246 607454094 /nfs/dbraw/zinc/45/40/94/607454094.db2.gz DNDQOPXXBNGQLN-QGZVFWFLSA-N 1 0 366.425 2.011 20 10 FECDRO Cc1cccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000826298403 608590068 /nfs/dbraw/zinc/59/00/68/608590068.db2.gz RARAYXUBGYATHW-KRWDZBQOSA-N 1 0 351.410 2.454 20 10 FECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000076323646 670548249 /nfs/dbraw/zinc/54/82/49/670548249.db2.gz IVMQRBYMBFLENK-ACJLOTCBSA-N 1 0 350.459 2.371 20 10 FECDRO CC(C)[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](O)CO ZINC000817417640 675131279 /nfs/dbraw/zinc/13/12/79/675131279.db2.gz MKQQRBCVYPSOBD-MRXNPFEDSA-N 1 0 351.447 2.149 20 10 FECDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000092303751 670737360 /nfs/dbraw/zinc/73/73/60/670737360.db2.gz DMRCUZUBYIVUMN-HNNXBMFYSA-N 1 0 370.515 2.212 20 10 FECDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc(N)cc1 ZINC000817956779 675188130 /nfs/dbraw/zinc/18/81/30/675188130.db2.gz CRRBAAZTVIXHHC-LBPRGKRZSA-N 1 0 350.260 2.414 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000127447358 672037297 /nfs/dbraw/zinc/03/72/97/672037297.db2.gz SXYQHJVHTYFFOY-UONOGXRCSA-N 1 0 358.479 2.136 20 10 FECDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000742804725 673738697 /nfs/dbraw/zinc/73/86/97/673738697.db2.gz AZUWBTKYEYFCAW-UONOGXRCSA-N 1 0 353.413 2.325 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)COC2CCOCC2)cc1F ZINC000819042392 675254852 /nfs/dbraw/zinc/25/48/52/675254852.db2.gz MGNSPBPJPAVGEU-MRXNPFEDSA-N 1 0 354.466 2.318 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000819078801 675258933 /nfs/dbraw/zinc/25/89/33/675258933.db2.gz ZVGFWDJZVMZZCH-LJQANCHMSA-N 1 0 351.491 2.426 20 10 FECDRO C[C@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)S(C)(=O)=O ZINC000819120167 675262595 /nfs/dbraw/zinc/26/25/95/675262595.db2.gz MZXUDOJKTJSWBE-CHWSQXEVSA-N 1 0 362.442 2.280 20 10 FECDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000819824452 675316529 /nfs/dbraw/zinc/31/65/29/675316529.db2.gz KSYJYXXHPLTZCG-HOTGVXAUSA-N 1 0 359.495 2.437 20 10 FECDRO Oc1cc(Br)ccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000824528687 675608767 /nfs/dbraw/zinc/60/87/67/675608767.db2.gz BJWFANPSENNCEB-OAHLLOKOSA-N 1 0 355.276 2.451 20 10 FECDRO C[C@H]1CN(Cc2ccc(Br)cc2O)CC[N@@H+]1CC(C)(C)O ZINC000825628730 675661647 /nfs/dbraw/zinc/66/16/47/675661647.db2.gz GWVAPXLSMGGEDR-LBPRGKRZSA-N 1 0 357.292 2.432 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1Cl ZINC000825886458 675672706 /nfs/dbraw/zinc/67/27/06/675672706.db2.gz PFBRHHLVZMJVCD-PXAZEXFGSA-N 1 0 351.834 2.307 20 10 FECDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1cc(F)ccc1O)CO2 ZINC000827067325 675726789 /nfs/dbraw/zinc/72/67/89/675726789.db2.gz ZXBGQSPOGLZXLU-CQSZACIVSA-N 1 0 352.406 2.399 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827641032 675770105 /nfs/dbraw/zinc/77/01/05/675770105.db2.gz GFIHCJBEKAXUCS-GOSISDBHSA-N 1 0 365.543 2.499 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827963446 675789398 /nfs/dbraw/zinc/78/93/98/675789398.db2.gz LMCNSDYOSMZMLO-SFHVURJKSA-N 1 0 365.543 2.486 20 10 FECDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828357336 675815217 /nfs/dbraw/zinc/81/52/17/675815217.db2.gz DNDUPOSKCROWND-SFHVURJKSA-N 1 0 365.543 2.499 20 10 FECDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146360 680741507 /nfs/dbraw/zinc/74/15/07/680741507.db2.gz FGRMFYJZJJLFIF-UHFFFAOYSA-N 1 0 350.413 2.442 20 10 FECDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C(C)(C)O1 ZINC000765979182 680862098 /nfs/dbraw/zinc/86/20/98/680862098.db2.gz JEAONZXVZKZXDO-QGZVFWFLSA-N 1 0 366.527 2.357 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831186038 679942486 /nfs/dbraw/zinc/94/24/86/679942486.db2.gz HQKREZDJTQLOHN-LBPRGKRZSA-N 1 0 354.248 2.096 20 10 FECDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000749971507 680092315 /nfs/dbraw/zinc/09/23/15/680092315.db2.gz JVZVWTHSUXQPTI-CQSZACIVSA-N 1 0 364.467 2.068 20 10 FECDRO C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756603655 680488515 /nfs/dbraw/zinc/48/85/15/680488515.db2.gz JKWHYTYFHWGLSD-JTQLQIEISA-N 1 0 361.255 2.401 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000841707171 680908349 /nfs/dbraw/zinc/90/83/49/680908349.db2.gz OWUPHCVTRCMGBL-FUHWJXTLSA-N 1 0 360.527 2.133 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000841798709 680912982 /nfs/dbraw/zinc/91/29/82/680912982.db2.gz MCSRDCUTQVJLIT-OAHLLOKOSA-N 1 0 358.408 2.468 20 10 FECDRO C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843942 680914531 /nfs/dbraw/zinc/91/45/31/680914531.db2.gz QCYHILPKDFFOQT-CHWSQXEVSA-N 1 0 356.417 2.151 20 10 FECDRO Cn1nccc1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768083680 680937497 /nfs/dbraw/zinc/93/74/97/680937497.db2.gz YQWZWYDWWXGXEV-HNNXBMFYSA-N 1 0 362.861 2.102 20 10 FECDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC1(O)CCS(=O)(=O)CC1 ZINC000769173454 680973382 /nfs/dbraw/zinc/97/33/82/680973382.db2.gz PTZAWZQPOVKDGR-UHFFFAOYSA-N 1 0 366.527 2.048 20 10 FECDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1C ZINC000771059387 681039794 /nfs/dbraw/zinc/03/97/94/681039794.db2.gz PXFTXHQXODLJFR-OAHLLOKOSA-N 1 0 362.861 2.482 20 10 FECDRO COc1ccc(N2CCC(NC(=O)[C@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000844181118 681043306 /nfs/dbraw/zinc/04/33/06/681043306.db2.gz OYNCDDJBFQCLMG-MRXNPFEDSA-N 1 0 353.413 2.025 20 10 FECDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000773730755 681153622 /nfs/dbraw/zinc/15/36/22/681153622.db2.gz QYCDMPVEPVRMMT-UHFFFAOYSA-N 1 0 353.532 2.437 20 10 FECDRO C[NH+](C)[C@H]1C[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000846786101 681289333 /nfs/dbraw/zinc/28/93/33/681289333.db2.gz OAYJIVATMRAPEF-VDISTLRHSA-N 1 0 351.834 2.150 20 10 FECDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000776810552 681438384 /nfs/dbraw/zinc/43/83/84/681438384.db2.gz ZKNANAMKRCOSCA-CHWSQXEVSA-N 1 0 350.415 2.468 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnc(N(C)C)c(Cl)c2)cc1 ZINC000848393254 681534823 /nfs/dbraw/zinc/53/48/23/681534823.db2.gz WKMCRIAAQBDEBR-MRXNPFEDSA-N 1 0 361.877 2.297 20 10 FECDRO COc1cc(Br)cc([C@H](C)NC[C@H](O)C[NH+]2CCCC2)c1O ZINC000848524850 681571138 /nfs/dbraw/zinc/57/11/38/681571138.db2.gz XWMXCMJKXQDCES-AAEUAGOBSA-N 1 0 373.291 2.271 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1O ZINC000848549761 681576122 /nfs/dbraw/zinc/57/61/22/681576122.db2.gz SWIBFYGLFVQREY-WMFXKJRFSA-N 1 0 360.248 2.354 20 10 FECDRO CCc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1O ZINC000848897313 681640104 /nfs/dbraw/zinc/64/01/04/681640104.db2.gz OSMNVPQPVBMBAH-UHFFFAOYSA-N 1 0 362.442 2.309 20 10 FECDRO CCc1cccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1O ZINC000848899085 681640135 /nfs/dbraw/zinc/64/01/35/681640135.db2.gz KKRXZKOJTXHZQK-UHFFFAOYSA-N 1 0 354.497 2.426 20 10 FECDRO CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H](O)C(F)(F)F ZINC000779193735 681687761 /nfs/dbraw/zinc/68/77/61/681687761.db2.gz SEHQEZKMROMZNU-HNNXBMFYSA-N 1 0 350.356 2.407 20 10 FECDRO COC(=O)N(C)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000850389839 681896575 /nfs/dbraw/zinc/89/65/75/681896575.db2.gz IISMCIWZIKIHQJ-UHFFFAOYSA-N 1 0 350.419 2.373 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC(CO)([NH2+]CC(C)C)CC2)c1O ZINC000852122175 682223230 /nfs/dbraw/zinc/22/32/30/682223230.db2.gz HXKLGXVLKBXOHG-UHFFFAOYSA-N 1 0 352.450 2.306 20 10 FECDRO CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(C)cc(C)c1O)C2 ZINC000789492058 682609992 /nfs/dbraw/zinc/60/99/92/682609992.db2.gz UTCRHKKITFYOMK-UHFFFAOYSA-N 1 0 360.479 2.475 20 10 FECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000793281176 682877930 /nfs/dbraw/zinc/87/79/30/682877930.db2.gz PCFHFIWTFJTHSW-UHFFFAOYSA-N 1 0 367.471 2.252 20 10 FECDRO C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)cc(F)c1[O-] ZINC000925810664 683040093 /nfs/dbraw/zinc/04/00/93/683040093.db2.gz FHRITBPIPFMYME-JTQLQIEISA-N 1 0 360.271 2.368 20 10 FECDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000795668565 683079058 /nfs/dbraw/zinc/07/90/58/683079058.db2.gz BUKILYLUFUQNBZ-UHFFFAOYSA-N 1 0 370.515 2.157 20 10 FECDRO COc1cc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c(O)cc1C ZINC000799958053 683515237 /nfs/dbraw/zinc/51/52/37/683515237.db2.gz NTZDHXOLPPMPCW-UHFFFAOYSA-N 1 0 368.499 2.099 20 10 FECDRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921733488 683560178 /nfs/dbraw/zinc/56/01/78/683560178.db2.gz CASPNCHCMYNSBZ-INIZCTEOSA-N 1 0 355.360 2.285 20 10 FECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000862485217 683594907 /nfs/dbraw/zinc/59/49/07/683594907.db2.gz JYXCGVYSVCMDHJ-CHWSQXEVSA-N 1 0 362.879 2.004 20 10 FECDRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2c(O)cccc2Br)[nH]1 ZINC000922408210 683716744 /nfs/dbraw/zinc/71/67/44/683716744.db2.gz ISUMWHOEHQILOX-QMTHXVAHSA-N 1 0 367.247 2.449 20 10 FECDRO Cc1cc(O)c(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)cc1C ZINC000922494965 683735426 /nfs/dbraw/zinc/73/54/26/683735426.db2.gz CFMHNZVEPGDWNS-UHFFFAOYSA-N 1 0 357.332 2.123 20 10 FECDRO C[NH+]1CCN(c2ccc(CNc3ccccc3S(C)(=O)=O)cc2)CC1 ZINC000863986702 683797289 /nfs/dbraw/zinc/79/72/89/683797289.db2.gz PCGFUXJFKGSUAW-UHFFFAOYSA-N 1 0 359.495 2.454 20 10 FECDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000865819027 684033473 /nfs/dbraw/zinc/03/34/73/684033473.db2.gz LSYBJQZUDQWMMN-UHFFFAOYSA-N 1 0 354.859 2.286 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)O[C@@H](C)COC)cc2F)CC1 ZINC000866746717 684144341 /nfs/dbraw/zinc/14/43/41/684144341.db2.gz DPRDJDUZHVUZIW-AWEZNQCLSA-N 1 0 353.438 2.229 20 10 FECDRO CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866765552 684147726 /nfs/dbraw/zinc/14/77/26/684147726.db2.gz YSKRBJWMQRNILB-JKSUJKDBSA-N 1 0 367.877 2.041 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000924862011 684499451 /nfs/dbraw/zinc/49/94/51/684499451.db2.gz OEIFOCMQCTYHEN-CYBMUJFWSA-N 1 0 357.495 2.041 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CCN(S(C)(=O)=O)CC1 ZINC000924869570 684501040 /nfs/dbraw/zinc/50/10/40/684501040.db2.gz HSDWMCPXEIEKLD-OAHLLOKOSA-N 1 0 365.543 2.219 20 10 FECDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925054816 684520761 /nfs/dbraw/zinc/52/07/61/684520761.db2.gz JFECDVPTSIVDLO-CYBMUJFWSA-N 1 0 363.483 2.377 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cc(C)c(Cl)n3)CC2)cc1 ZINC000871984721 684904012 /nfs/dbraw/zinc/90/40/12/684904012.db2.gz FIMOZNMFPLUOHV-MRXNPFEDSA-N 1 0 364.877 2.037 20 10 FECDRO C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000872201358 684926790 /nfs/dbraw/zinc/92/67/90/684926790.db2.gz XXGZQRFTSZKRTG-RBUKOAKNSA-N 1 0 350.528 2.241 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@H]3CCCS(=O)(=O)CC3)CC2)cc1 ZINC000873035086 685055785 /nfs/dbraw/zinc/05/57/85/685055785.db2.gz FECDYICEKMSJKQ-HNNXBMFYSA-N 1 0 352.500 2.221 20 10 FECDRO [NH3+][C@H]1CC=C(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000876776420 686266882 /nfs/dbraw/zinc/26/68/82/686266882.db2.gz IKLQORJRBQWYJH-KBPBESRZSA-N 1 0 351.397 2.421 20 10 FECDRO CO[C@]1(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCOC1 ZINC000877034066 686315236 /nfs/dbraw/zinc/31/52/36/686315236.db2.gz XGIXADLEZJWRRD-WMZOPIPTSA-N 1 0 354.878 2.405 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)cc1OC ZINC000877774333 686451636 /nfs/dbraw/zinc/45/16/36/686451636.db2.gz JYIPTXRLAQJUSD-UHFFFAOYSA-N 1 0 350.459 2.490 20 10 FECDRO Cn1nnnc1C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000877778846 686455471 /nfs/dbraw/zinc/45/54/71/686455471.db2.gz DEMVFUOJEJATKI-UHFFFAOYSA-N 1 0 352.236 2.058 20 10 FECDRO CONC(=O)C1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000877786594 686457807 /nfs/dbraw/zinc/45/78/07/686457807.db2.gz PJDUTZPWNOBVOD-UHFFFAOYSA-N 1 0 373.247 2.053 20 10 FECDRO Cn1cc(Cl)c(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881168048 687114090 /nfs/dbraw/zinc/11/40/90/687114090.db2.gz CUVWAXTXDHCRJJ-UHFFFAOYSA-N 1 0 362.865 2.147 20 10 FECDRO CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882890255 687523448 /nfs/dbraw/zinc/52/34/48/687523448.db2.gz SQQQOWKLPDXZSU-LBPRGKRZSA-N 1 0 374.298 2.409 20 10 FECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCOC1 ZINC000883174459 687582148 /nfs/dbraw/zinc/58/21/48/687582148.db2.gz KYRQPQGRTHXFRZ-FUHWJXTLSA-N 1 0 352.450 2.194 20 10 FECDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000883379075 687619255 /nfs/dbraw/zinc/61/92/55/687619255.db2.gz LVZYNJRTAVNSEZ-SHTZXODSSA-N 1 0 367.471 2.250 20 10 FECDRO CC(=O)c1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891248468 689039937 /nfs/dbraw/zinc/03/99/37/689039937.db2.gz MZEBVIVFHQBKMQ-OAHLLOKOSA-N 1 0 360.483 2.444 20 10 FECDRO Nc1cc[nH+]c(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000891368167 689054994 /nfs/dbraw/zinc/05/49/94/689054994.db2.gz AAAMIOGBIAXRCS-UHFFFAOYSA-N 1 0 357.483 2.216 20 10 FECDRO CC(C)[C@H](CNC(=O)NCc1cccc(Cl)c1O)[NH+]1CCN(C)CC1 ZINC000891755159 689101748 /nfs/dbraw/zinc/10/17/48/689101748.db2.gz UWGPJBKCMVBZGI-INIZCTEOSA-N 1 0 368.909 2.117 20 10 FECDRO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891827298 689113216 /nfs/dbraw/zinc/11/32/16/689113216.db2.gz VOAPVHPXRITNPG-UHFFFAOYSA-N 1 0 350.459 2.490 20 10 FECDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c(O)c1OC ZINC000891918180 689126333 /nfs/dbraw/zinc/12/63/33/689126333.db2.gz VZMLCNBDVNGYOX-INIZCTEOSA-N 1 0 350.459 2.096 20 10 FECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(OC)c(OC)c1O)CC2 ZINC000892102205 689150301 /nfs/dbraw/zinc/15/03/01/689150301.db2.gz QIEPYFYXWLHROA-HOTGVXAUSA-N 1 0 351.443 2.161 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000893009144 689280721 /nfs/dbraw/zinc/28/07/21/689280721.db2.gz BPMNJHQGXNOUMC-OAHLLOKOSA-N 1 0 367.877 2.488 20 10 FECDRO COc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(O)c1OC ZINC000893942241 689434363 /nfs/dbraw/zinc/43/43/63/689434363.db2.gz AIEMDPVBTFOPEO-UHFFFAOYSA-N 1 0 357.453 2.164 20 10 FECDRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cc(Br)ccc2O)C1(F)F ZINC000894755043 689589615 /nfs/dbraw/zinc/58/96/15/689589615.db2.gz MGYGUBBLMYOHJG-MWLCHTKSSA-N 1 0 350.159 2.299 20 10 FECDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Br)cc(C)c3O)C[C@@H]2C1 ZINC000895576872 689738605 /nfs/dbraw/zinc/73/86/05/689738605.db2.gz VKEGPGSSAVKIKL-OKILXGFUSA-N 1 0 353.260 2.373 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1O ZINC000896385735 689866817 /nfs/dbraw/zinc/86/68/17/689866817.db2.gz WJNNYKDIMSOGCS-JTQLQIEISA-N 1 0 358.232 2.358 20 10 FECDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c(O)c1OC ZINC000896398602 689868666 /nfs/dbraw/zinc/86/86/66/689868666.db2.gz WIPQFIXRKFGMJC-FZKQIMNGSA-N 1 0 350.415 2.120 20 10 FECDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc3cc(O)c(O)cc3s1)CCO2 ZINC000898105894 690129356 /nfs/dbraw/zinc/12/93/56/690129356.db2.gz MZPMKNSROIHVEG-UHFFFAOYSA-N 1 0 362.451 2.249 20 10 FECDRO O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(Br)cc3O)C2)nc[nH]1 ZINC000898151727 690134973 /nfs/dbraw/zinc/13/49/73/690134973.db2.gz UIZQBWWLNODAKD-LBPRGKRZSA-N 1 0 365.231 2.019 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3CSC[C@@H]3C2)[NH+](C)C)cc1 ZINC000899099362 690303919 /nfs/dbraw/zinc/30/39/19/690303919.db2.gz ZQBZLZKTUQYDID-SOLBZPMBSA-N 1 0 362.543 2.360 20 10 FECDRO O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000905052172 691061723 /nfs/dbraw/zinc/06/17/23/691061723.db2.gz MWPABAQYLQPCSN-SFHVURJKSA-N 1 0 350.528 2.386 20 10 FECDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000054786596 540610161 /nfs/dbraw/zinc/61/01/61/540610161.db2.gz XNQITGUSRWPFEQ-UHFFFAOYSA-N 1 0 360.502 2.197 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069913422 541723003 /nfs/dbraw/zinc/72/30/03/541723003.db2.gz OLVKMGSABDNLOM-GOSISDBHSA-N 1 0 360.502 2.006 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)Cc3cc(=O)n4nccc4[nH]3)CC2)cc1 ZINC000072801399 541868034 /nfs/dbraw/zinc/86/80/34/541868034.db2.gz HAEBTJSPGQHJCC-UHFFFAOYSA-N 1 0 367.453 2.132 20 10 FECDRO COc1cccc(CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1O ZINC000073794014 542000984 /nfs/dbraw/zinc/00/09/84/542000984.db2.gz PKERAGHZIQMAPS-QGZVFWFLSA-N 1 0 357.454 2.373 20 10 FECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801511146 674132859 /nfs/dbraw/zinc/13/28/59/674132859.db2.gz PRNGQIJUOKZSGA-KRWDZBQOSA-N 1 0 353.532 2.245 20 10 FECDRO CS(=O)(=O)N1CC[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC000801522977 674133620 /nfs/dbraw/zinc/13/36/20/674133620.db2.gz HXWCDPYNNJSBKZ-OAHLLOKOSA-N 1 0 364.467 2.269 20 10 FECDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000076320902 542260705 /nfs/dbraw/zinc/26/07/05/542260705.db2.gz FTKJVGWBQIATMZ-SFHVURJKSA-N 1 0 351.466 2.301 20 10 FECDRO COc1ccc(N2CCCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000079618379 542532195 /nfs/dbraw/zinc/53/21/95/542532195.db2.gz DWCGJDLYJWTOML-QGZVFWFLSA-N 1 0 372.513 2.401 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000091069878 542793164 /nfs/dbraw/zinc/79/31/64/542793164.db2.gz LLYHWHVXEFPDTI-UHFFFAOYSA-N 1 0 363.483 2.293 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1 ZINC000092673193 542880314 /nfs/dbraw/zinc/88/03/14/542880314.db2.gz UCQFFMXZQKRITF-INIZCTEOSA-N 1 0 350.484 2.331 20 10 FECDRO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)Cc2ccccc2O)cc1 ZINC000109770508 543338572 /nfs/dbraw/zinc/33/85/72/543338572.db2.gz SAWSJQARRAFMSP-UHFFFAOYSA-N 1 0 364.467 2.153 20 10 FECDRO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000124586201 543830996 /nfs/dbraw/zinc/83/09/96/543830996.db2.gz LOZMJZCDJZSVCA-ARGQNCHBSA-N 1 0 357.498 2.478 20 10 FECDRO Cc1c(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cnn1C ZINC000134264343 544301295 /nfs/dbraw/zinc/30/12/95/544301295.db2.gz IKEABNDOEKTZSZ-HNNXBMFYSA-N 1 0 362.861 2.482 20 10 FECDRO C[C@H](CC(=O)N(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163404911 546145150 /nfs/dbraw/zinc/14/51/50/546145150.db2.gz XCFINORQTYNWII-CYBMUJFWSA-N 1 0 373.419 2.498 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000165487789 546153511 /nfs/dbraw/zinc/15/35/11/546153511.db2.gz UPNSQUHMINNLPQ-MRXNPFEDSA-N 1 0 371.403 2.300 20 10 FECDRO CCC(CC)[C@@H](C(=O)NCc1cccc(OC)c1O)N1CCOCC1 ZINC000175930732 546374587 /nfs/dbraw/zinc/37/45/87/546374587.db2.gz JDYOYECPDHMLIJ-KRWDZBQOSA-N 1 0 350.459 2.154 20 10 FECDRO O=C(C[NH2+]CC1CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834033 546858020 /nfs/dbraw/zinc/85/80/20/546858020.db2.gz RURKVQSMLXUQKO-AWEZNQCLSA-N 1 0 353.413 2.373 20 10 FECDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000182503731 547504733 /nfs/dbraw/zinc/50/47/33/547504733.db2.gz NRJXUBWXNKUUIT-FUHWJXTLSA-N 1 0 370.490 2.108 20 10 FECDRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000183045744 547591722 /nfs/dbraw/zinc/59/17/22/547591722.db2.gz BABHYQLWGOHDSF-ZIAGYGMSSA-N 1 0 374.453 2.424 20 10 FECDRO O=C1NC[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CCN12 ZINC000183121315 547605434 /nfs/dbraw/zinc/60/54/34/547605434.db2.gz OLIPKARJWQXEAO-KRWDZBQOSA-N 1 0 353.422 2.181 20 10 FECDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185970465 548066573 /nfs/dbraw/zinc/06/65/73/548066573.db2.gz DFSVFWAKXHYAQG-JTQLQIEISA-N 1 0 365.293 2.133 20 10 FECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000186158652 548092243 /nfs/dbraw/zinc/09/22/43/548092243.db2.gz ZULCQQFUVNGTKC-QWHCGFSZSA-N 1 0 355.481 2.248 20 10 FECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190313659 548322966 /nfs/dbraw/zinc/32/29/66/548322966.db2.gz MKZRMQJMNSBUBJ-NRFANRHFSA-N 1 0 370.449 2.190 20 10 FECDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000191847978 548351533 /nfs/dbraw/zinc/35/15/33/548351533.db2.gz KVQJVGUYZHNGGW-GOSISDBHSA-N 1 0 363.477 2.447 20 10 FECDRO C[C@@H]1CN(CCN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000194933050 548553407 /nfs/dbraw/zinc/55/34/07/548553407.db2.gz UMQXEOTULUFNLZ-GASCZTMLSA-N 1 0 366.481 2.142 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000245608175 548956907 /nfs/dbraw/zinc/95/69/07/548956907.db2.gz ACYXHKRKNQRQQJ-BFYDXBDKSA-N 1 0 364.486 2.483 20 10 FECDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000264746077 550000872 /nfs/dbraw/zinc/00/08/72/550000872.db2.gz LLTUYMTVOVMGNT-UHFFFAOYSA-N 1 0 368.389 2.287 20 10 FECDRO C[C@@H]([NH2+]CCN1CCSCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268852867 550123584 /nfs/dbraw/zinc/12/35/84/550123584.db2.gz DAAUDVHRBRBJCZ-OAHLLOKOSA-N 1 0 353.507 2.362 20 10 FECDRO CCCOc1ccc(C[N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000271040487 550334208 /nfs/dbraw/zinc/33/42/08/550334208.db2.gz NTSSZQGUTSEISN-MRXNPFEDSA-N 1 0 371.499 2.207 20 10 FECDRO C[N@@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000272594539 550459874 /nfs/dbraw/zinc/45/98/74/550459874.db2.gz IEZCHTQVWBJILJ-JQVKTCLLSA-N 1 0 355.482 2.089 20 10 FECDRO CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273409075 550497676 /nfs/dbraw/zinc/49/76/76/550497676.db2.gz PFPLULIJALOLHU-INIZCTEOSA-N 1 0 363.502 2.247 20 10 FECDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000273799068 550511534 /nfs/dbraw/zinc/51/15/34/550511534.db2.gz WUSVKSRQEGMIEQ-CHWSQXEVSA-N 1 0 370.877 2.417 20 10 FECDRO CN(C)c1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1 ZINC000276981878 550618152 /nfs/dbraw/zinc/61/81/52/550618152.db2.gz SRRDDCPBTGRSHM-UHFFFAOYSA-N 1 0 353.532 2.435 20 10 FECDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143710 550754150 /nfs/dbraw/zinc/75/41/50/550754150.db2.gz BJEYLRAKHNKVCF-GWCFXTLKSA-N 1 0 350.293 2.197 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@](C)(OC)CC1)cc2=O ZINC000280572750 551009074 /nfs/dbraw/zinc/00/90/74/551009074.db2.gz SDJATWKKKYBQJI-GOSISDBHSA-N 1 0 362.430 2.003 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000282072908 551176939 /nfs/dbraw/zinc/17/69/39/551176939.db2.gz WXOOUSFYWYHUHI-UHFFFAOYSA-N 1 0 362.518 2.340 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000283319638 551347156 /nfs/dbraw/zinc/34/71/56/551347156.db2.gz BXZXXFZVXZRKQN-UHFFFAOYSA-N 1 0 361.486 2.123 20 10 FECDRO COc1c(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273723 552293373 /nfs/dbraw/zinc/29/33/73/552293373.db2.gz GNKWEHWKYXXUKY-QWRGUYRKSA-N 1 0 364.320 2.302 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000289360126 552306986 /nfs/dbraw/zinc/30/69/86/552306986.db2.gz IPIKTBXTGBIGTB-RBBKRZOGSA-N 1 0 366.509 2.404 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000291777569 552660683 /nfs/dbraw/zinc/66/06/83/552660683.db2.gz JEOFPZUJDVDELT-UHFFFAOYSA-N 1 0 372.469 2.459 20 10 FECDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](N4CCCC4=O)C3)cc2)CC1 ZINC000296331699 553142667 /nfs/dbraw/zinc/14/26/67/553142667.db2.gz PITORTPBOLHVPI-IBGZPJMESA-N 1 0 357.498 2.499 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000297275782 553272160 /nfs/dbraw/zinc/27/21/60/553272160.db2.gz LAWKJJSZOGAWID-SJLPKXTDSA-N 1 0 365.493 2.160 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000297588300 553312421 /nfs/dbraw/zinc/31/24/21/553312421.db2.gz CCZAPQIDXSHAOY-KRWDZBQOSA-N 1 0 361.486 2.074 20 10 FECDRO [NH2+]=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCOCC1 ZINC000363387159 555092413 /nfs/dbraw/zinc/09/24/13/555092413.db2.gz AEMKBGZBNOHECA-ZDUSSCGKSA-N 1 0 372.391 2.268 20 10 FECDRO Cc1nccc(CN2CCC[C@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C2=O)n1 ZINC000363972496 555224864 /nfs/dbraw/zinc/22/48/64/555224864.db2.gz ILEXAOYQXVCXOU-SFHVURJKSA-N 1 0 371.460 2.271 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@]34CCOC4)cc2F)CC1 ZINC000368136819 556227647 /nfs/dbraw/zinc/22/76/47/556227647.db2.gz YFTRNSAEDYEBJM-JXFKEZNVSA-N 1 0 361.461 2.010 20 10 FECDRO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CCN2C1=O ZINC000369438827 556600869 /nfs/dbraw/zinc/60/08/69/556600869.db2.gz NDDKVBOGCJXTOW-SFHVURJKSA-N 1 0 356.470 2.145 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c1 ZINC000369517454 556617600 /nfs/dbraw/zinc/61/76/00/556617600.db2.gz GUUZLBUCOFTISG-CYBMUJFWSA-N 1 0 358.442 2.205 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c1O ZINC000370355188 556849389 /nfs/dbraw/zinc/84/93/89/556849389.db2.gz LLOAGWAXABKMCE-SJORKVTESA-N 1 0 350.434 2.155 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)cc1 ZINC000371222461 557111285 /nfs/dbraw/zinc/11/12/85/557111285.db2.gz GCEAARSCAAQVSO-QGZVFWFLSA-N 1 0 365.485 2.197 20 10 FECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000371222830 557111437 /nfs/dbraw/zinc/11/14/37/557111437.db2.gz JJHLKLPNPHACCK-ZDUSSCGKSA-N 1 0 372.860 2.490 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371300942 557136939 /nfs/dbraw/zinc/13/69/39/557136939.db2.gz RLMJMMRYYLGHBM-KBAYOESNSA-N 1 0 350.434 2.417 20 10 FECDRO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)c1O ZINC000371403895 557174683 /nfs/dbraw/zinc/17/46/83/557174683.db2.gz DOHUKZWAYPCDLZ-UHFFFAOYSA-N 1 0 356.426 2.432 20 10 FECDRO COC(=O)CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372058989 557368666 /nfs/dbraw/zinc/36/86/66/557368666.db2.gz XLTGJIYJQCMMIC-OAHLLOKOSA-N 1 0 368.861 2.470 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000372876032 557580438 /nfs/dbraw/zinc/58/04/38/557580438.db2.gz JUAGLOUGZWYWCL-DKICVRJWSA-N 1 0 355.486 2.356 20 10 FECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000373369155 557680896 /nfs/dbraw/zinc/68/08/96/557680896.db2.gz JIWJWSIFZRKHFP-GOSISDBHSA-N 1 0 370.453 2.170 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)cc1OC ZINC000374786069 557931113 /nfs/dbraw/zinc/93/11/13/557931113.db2.gz YBYXJMGSUCXXHK-ZDUSSCGKSA-N 1 0 374.441 2.471 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccn(C)n2)C1 ZINC000521755627 562183108 /nfs/dbraw/zinc/18/31/08/562183108.db2.gz VLELIERTGQWYDZ-UHFFFAOYSA-N 1 0 365.481 2.458 20 10 FECDRO CCn1ccnc1CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000376678798 558206788 /nfs/dbraw/zinc/20/67/88/558206788.db2.gz HTFKIBDHQLRQQN-GOSISDBHSA-N 1 0 367.497 2.199 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1 ZINC000377725060 558405656 /nfs/dbraw/zinc/40/56/56/558405656.db2.gz ZGICXCBWPUZNLA-YCPHGPKFSA-N 1 0 362.449 2.398 20 10 FECDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 ZINC000414646654 559176903 /nfs/dbraw/zinc/17/69/03/559176903.db2.gz PTEPPBFENGQGPM-LBPRGKRZSA-N 1 0 356.451 2.412 20 10 FECDRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c2c1c(F)ccc2O ZINC000527955343 562309404 /nfs/dbraw/zinc/30/94/04/562309404.db2.gz NPAPXKCTMJYPBR-RCDCFZSISA-N 1 0 364.461 2.285 20 10 FECDRO Cn1cncc1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108069 674405091 /nfs/dbraw/zinc/40/50/91/674405091.db2.gz QUIMGIAVVFFWIZ-HNNXBMFYSA-N 1 0 362.861 2.102 20 10 FECDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](Cc3ccccc3)C(=O)[O-])cc2)CC1 ZINC000756282932 598193401 /nfs/dbraw/zinc/19/34/01/598193401.db2.gz SJSOYHMBQGFNQI-FQEVSTJZSA-N 1 0 353.466 2.224 20 10 FECDRO CCC[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000736471778 598524154 /nfs/dbraw/zinc/52/41/54/598524154.db2.gz WIJCIPPDJFZGND-UHFFFAOYSA-N 1 0 366.425 2.423 20 10 FECDRO CNC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)c1 ZINC000809721184 674506994 /nfs/dbraw/zinc/50/69/94/674506994.db2.gz VCLLOZQGQNNPLX-UHFFFAOYSA-N 1 0 364.829 2.469 20 10 FECDRO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cc(Br)ccc1O ZINC000809712683 674506794 /nfs/dbraw/zinc/50/67/94/674506794.db2.gz BWQKFJHGRBBZNW-UHFFFAOYSA-N 1 0 368.231 2.355 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1 ZINC000809971581 674522935 /nfs/dbraw/zinc/52/29/35/674522935.db2.gz HWIUNCXLCZUQHS-KZULUSFZSA-N 1 0 354.447 2.327 20 10 FECDRO CC[NH+](CC)CCS(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000810049283 674527325 /nfs/dbraw/zinc/52/73/25/674527325.db2.gz NCPZJHXHDIJWPJ-KRWDZBQOSA-N 1 0 370.515 2.045 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821611013 607114612 /nfs/dbraw/zinc/11/46/12/607114612.db2.gz NQMITTMBMZSSNS-UHFFFAOYSA-N 1 0 364.453 2.335 20 10 FECDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000814171319 674824150 /nfs/dbraw/zinc/82/41/50/674824150.db2.gz KEPNGZRKTWOICA-OAHLLOKOSA-N 1 0 357.495 2.138 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)ccc1N(C)C ZINC000815116467 674920867 /nfs/dbraw/zinc/92/08/67/674920867.db2.gz ORNCTJISBYCALD-QGZVFWFLSA-N 1 0 353.532 2.164 20 10 FECDRO CC(C)C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)NCC[NH+](C)C ZINC000816559182 675065204 /nfs/dbraw/zinc/06/52/04/675065204.db2.gz AUPCGDUONAUOAG-HNNXBMFYSA-N 1 0 359.873 2.367 20 10 FECDRO CC(C)[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)CO ZINC000817417639 675131324 /nfs/dbraw/zinc/13/13/24/675131324.db2.gz MKQQRBCVYPSOBD-INIZCTEOSA-N 1 0 351.447 2.149 20 10 FECDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090881481 670714890 /nfs/dbraw/zinc/71/48/90/670714890.db2.gz IPOPCDVHABCFRR-OAHLLOKOSA-N 1 0 351.466 2.475 20 10 FECDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093739795 670754921 /nfs/dbraw/zinc/75/49/21/670754921.db2.gz IWVWMGKXSGETTO-AWEZNQCLSA-N 1 0 373.291 2.052 20 10 FECDRO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982246 675188971 /nfs/dbraw/zinc/18/89/71/675188971.db2.gz PTAGCWCXRXCFBM-ZBFHGGJFSA-N 1 0 353.894 2.206 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1O ZINC000159533987 672282944 /nfs/dbraw/zinc/28/29/44/672282944.db2.gz PUTMESBZBLWACS-UWVGGRQHSA-N 1 0 357.248 2.249 20 10 FECDRO COc1cc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164012371 672311730 /nfs/dbraw/zinc/31/17/30/672311730.db2.gz UFHVYOLMFVGPQK-AWEZNQCLSA-N 1 0 370.515 2.212 20 10 FECDRO COCCCS(=O)(=O)NCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000747530432 673932017 /nfs/dbraw/zinc/93/20/17/673932017.db2.gz VRBKUOBGMOPBPF-UHFFFAOYSA-N 1 0 370.515 2.093 20 10 FECDRO C[C@@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)S(C)(=O)=O ZINC000819001933 675251728 /nfs/dbraw/zinc/25/17/28/675251728.db2.gz HBIHXLHGVRKSSO-LBPRGKRZSA-N 1 0 362.442 2.280 20 10 FECDRO COc1cccc(O)c1C[NH2+]CCn1cc(Br)ccc1=O ZINC000824544312 675609605 /nfs/dbraw/zinc/60/96/05/675609605.db2.gz VAJIPTOZHCGGMX-UHFFFAOYSA-N 1 0 353.216 2.115 20 10 FECDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000824679178 675616118 /nfs/dbraw/zinc/61/61/18/675616118.db2.gz XZGAKYQQJFKFDO-GFCCVEGCSA-N 1 0 367.437 2.189 20 10 FECDRO COc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000824832336 675624366 /nfs/dbraw/zinc/62/43/66/675624366.db2.gz XTQWDZMLISSEME-WCQYABFASA-N 1 0 358.360 2.243 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Cl ZINC000825325164 675646451 /nfs/dbraw/zinc/64/64/51/675646451.db2.gz BQEOZUPRUYZJSD-YVEFUNNKSA-N 1 0 351.834 2.164 20 10 FECDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1Cl ZINC000825375584 675649669 /nfs/dbraw/zinc/64/96/69/675649669.db2.gz NWKIAHRDDKXJCL-UHFFFAOYSA-N 1 0 360.888 2.484 20 10 FECDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1 ZINC000830461673 677041091 /nfs/dbraw/zinc/04/10/91/677041091.db2.gz CTSHYFSSIIGTDQ-KRWDZBQOSA-N 1 0 351.491 2.460 20 10 FECDRO CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665199 677053380 /nfs/dbraw/zinc/05/33/80/677053380.db2.gz QSDGOIIBNGJTFS-DOMZBBRYSA-N 1 0 353.413 2.371 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000761123400 680711868 /nfs/dbraw/zinc/71/18/68/680711868.db2.gz ILEYGKQZBAEPMS-GJZGRUSLSA-N 1 0 363.845 2.437 20 10 FECDRO O=C(c1cn[nH]c1[C@@H]1CC[NH2+]C1)N1CCc2cc(Br)ccc21 ZINC000662416884 678618520 /nfs/dbraw/zinc/61/85/20/678618520.db2.gz IVKUWLXMNJCEKM-LLVKDONJSA-N 1 0 361.243 2.452 20 10 FECDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000765514467 680844673 /nfs/dbraw/zinc/84/46/73/680844673.db2.gz LUKJVXSAPLFUML-LBPRGKRZSA-N 1 0 356.264 2.438 20 10 FECDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)nn1 ZINC000840938814 680855129 /nfs/dbraw/zinc/85/51/29/680855129.db2.gz HJIKPTRAYSLTRO-NSHDSACASA-N 1 0 350.806 2.179 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=S)NC(C)C)CC2)cc1 ZINC000747765853 679902226 /nfs/dbraw/zinc/90/22/26/679902226.db2.gz HIGCFTIXEWZWGJ-UHFFFAOYSA-N 1 0 350.532 2.080 20 10 FECDRO CC1(S(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000831009757 679907474 /nfs/dbraw/zinc/90/74/74/679907474.db2.gz FGLGWRWVUUJUQS-UHFFFAOYSA-N 1 0 363.527 2.191 20 10 FECDRO COC(=O)CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@@H]1CCCO1 ZINC000750819368 680134543 /nfs/dbraw/zinc/13/45/43/680134543.db2.gz ADYQPKVOLOAHPE-HNNXBMFYSA-N 1 0 353.390 2.278 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000835036943 680289317 /nfs/dbraw/zinc/28/93/17/680289317.db2.gz LYEFHFLBCYDDAS-SNAWJCMRSA-N 1 0 351.516 2.027 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000835040198 680289655 /nfs/dbraw/zinc/28/96/55/680289655.db2.gz BMNBALXUXCNECQ-HWKANZROSA-N 1 0 365.524 2.395 20 10 FECDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000754084822 680335847 /nfs/dbraw/zinc/33/58/47/680335847.db2.gz CSOMRWXBWPTWMB-CYBMUJFWSA-N 1 0 355.460 2.108 20 10 FECDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3ccsc3)CC2)cc1 ZINC000758210299 680562602 /nfs/dbraw/zinc/56/26/02/680562602.db2.gz PCXMWNZIIFOSET-SFHVURJKSA-N 1 0 361.511 2.029 20 10 FECDRO COc1nccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)n1 ZINC000841494953 680887548 /nfs/dbraw/zinc/88/75/48/680887548.db2.gz GFSOQHHYCSPQHL-XYOKQWHBSA-N 1 0 366.512 2.274 20 10 FECDRO COc1cc(Br)cc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1O ZINC000841892037 680916850 /nfs/dbraw/zinc/91/68/50/680916850.db2.gz SAFFZOWGEXJDAH-RYUDHWBXSA-N 1 0 373.291 2.050 20 10 FECDRO C[C@H](NC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC000841926370 680917688 /nfs/dbraw/zinc/91/76/88/680917688.db2.gz GPUXBFROPOLOAF-WDEREUQCSA-N 1 0 356.264 2.342 20 10 FECDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000842643794 680956688 /nfs/dbraw/zinc/95/66/88/680956688.db2.gz OXWFNCYRCBSSDO-INIZCTEOSA-N 1 0 353.344 2.441 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccc(N(C)C)cc1 ZINC000842699225 680960355 /nfs/dbraw/zinc/96/03/55/680960355.db2.gz JXSOSWYGPOKLDU-LBPRGKRZSA-N 1 0 351.447 2.390 20 10 FECDRO CCC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054679 681039432 /nfs/dbraw/zinc/03/94/32/681039432.db2.gz VKAYLDABBAMSPR-DOMZBBRYSA-N 1 0 367.877 2.041 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1O ZINC000846169449 681193520 /nfs/dbraw/zinc/19/35/20/681193520.db2.gz QUFCSCVTYXYVDS-CJNGLKHVSA-N 1 0 351.443 2.467 20 10 FECDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000847411809 681375586 /nfs/dbraw/zinc/37/55/86/681375586.db2.gz HZEUYIIXFWEVCE-GSJFWJNXSA-N 1 0 356.264 2.294 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2nc(C)n[nH]2)c1O ZINC000848543475 681574931 /nfs/dbraw/zinc/57/49/31/681574931.db2.gz FNOJIFXYELJZDL-MRVPVSSYSA-N 1 0 355.236 2.483 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2cncn2)c1O ZINC000848540639 681575118 /nfs/dbraw/zinc/57/51/18/681575118.db2.gz IVJQYIJCNCDASB-SNVBAGLBSA-N 1 0 355.236 2.496 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NCC(F)F)c1O ZINC000848549539 681576336 /nfs/dbraw/zinc/57/63/36/681576336.db2.gz QTWCMUWGQMPPCA-SSDOTTSWSA-N 1 0 367.190 2.195 20 10 FECDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1=O ZINC000848553376 681576746 /nfs/dbraw/zinc/57/67/46/681576746.db2.gz KXCKJSLKNSSPKC-ONGXEEELSA-N 1 0 357.248 2.435 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)c1O ZINC000848555162 681577685 /nfs/dbraw/zinc/57/76/85/681577685.db2.gz MEPLSLRKKSKJMT-MEBBXXQBSA-N 1 0 360.248 2.355 20 10 FECDRO COc1cc(C[NH2+]CC2(C(N)=O)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850030360 681843406 /nfs/dbraw/zinc/84/34/06/681843406.db2.gz IRAQVEFXRSFJRG-UHFFFAOYSA-N 1 0 350.459 2.070 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c1O ZINC000850344065 681887990 /nfs/dbraw/zinc/88/79/90/681887990.db2.gz ATDQFIYQZAUEQD-HZMBPMFUSA-N 1 0 360.248 2.304 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c1O ZINC000850510985 681910599 /nfs/dbraw/zinc/91/05/99/681910599.db2.gz ZANMREMSZGYFLB-LRDDRELGSA-N 1 0 374.275 2.282 20 10 FECDRO C[NH2+]C[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000851656765 682101968 /nfs/dbraw/zinc/10/19/68/682101968.db2.gz OPPCKENPIYSAHK-LBPRGKRZSA-N 1 0 356.417 2.164 20 10 FECDRO Cc1cc(Br)cc(CN2CC[N@H+](CCO)C(C)(C)C2)c1O ZINC000783713360 682168619 /nfs/dbraw/zinc/16/86/19/682168619.db2.gz ANTVKKHRXWTEKQ-UHFFFAOYSA-N 1 0 357.292 2.352 20 10 FECDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@@H]3CCN(S(C)(=O)=O)C3)c2c1 ZINC000793565820 682896007 /nfs/dbraw/zinc/89/60/07/682896007.db2.gz FPOIXTJIHLSQLT-CQSZACIVSA-N 1 0 364.467 2.020 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC([N@@H+]3CCCOCC3)CC2)c1O ZINC000931288834 684255954 /nfs/dbraw/zinc/25/59/54/684255954.db2.gz VKSGYNSCWVFLME-UHFFFAOYSA-N 1 0 350.434 2.421 20 10 FECDRO CC1CCN(c2ccc(CNS(=O)(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000923609069 684314665 /nfs/dbraw/zinc/31/46/65/684314665.db2.gz USZLRYYQMOULKK-SFHVURJKSA-N 1 0 351.516 2.094 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccns1 ZINC000925053911 684520850 /nfs/dbraw/zinc/52/08/50/684520850.db2.gz AIRUELKASVJZNL-CYBMUJFWSA-N 1 0 351.497 2.229 20 10 FECDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000872255107 684932441 /nfs/dbraw/zinc/93/24/41/684932441.db2.gz PKVMKARPQMVWIH-YUTCNCBUSA-N 1 0 372.252 2.066 20 10 FECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCS(=O)(=O)CC3)C2)cc1 ZINC000873132192 685078435 /nfs/dbraw/zinc/07/84/35/685078435.db2.gz KYOVIKWBSGKKNO-JKSUJKDBSA-N 1 0 352.500 2.078 20 10 FECDRO C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1O ZINC000879650663 686879889 /nfs/dbraw/zinc/87/98/89/686879889.db2.gz MNZOCUHKCBKPRS-HNNXBMFYSA-N 1 0 359.495 2.449 20 10 FECDRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000886321899 688230880 /nfs/dbraw/zinc/23/08/80/688230880.db2.gz BCXFAIZAGZWYIB-UHFFFAOYSA-N 1 0 351.516 2.191 20 10 FECDRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890761406 688962912 /nfs/dbraw/zinc/96/29/12/688962912.db2.gz QMFWOYONBXTQHE-LSDHHAIUSA-N 1 0 362.861 2.131 20 10 FECDRO CO[C@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC000891245398 689039707 /nfs/dbraw/zinc/03/97/07/689039707.db2.gz DGSAWONNORTCFK-HUUCEWRRSA-N 1 0 361.408 2.439 20 10 FECDRO COCc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000891256397 689040983 /nfs/dbraw/zinc/04/09/83/689040983.db2.gz XUNGPRAIMNWBFM-MRXNPFEDSA-N 1 0 362.499 2.388 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000893739748 689396999 /nfs/dbraw/zinc/39/69/99/689396999.db2.gz CSCRDIGKZJLLKU-HZPDHXFCSA-N 1 0 367.877 2.223 20 10 FECDRO COc1cc(C)cc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1O ZINC000894359270 689517648 /nfs/dbraw/zinc/51/76/48/689517648.db2.gz MYYVKFSAFIXASQ-UHFFFAOYSA-N 1 0 370.496 2.181 20 10 FECDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894401825 689525012 /nfs/dbraw/zinc/52/50/12/689525012.db2.gz HKIQXIAKMUDZPR-OAHLLOKOSA-N 1 0 363.332 2.337 20 10 FECDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c(O)c1OC ZINC000894426683 689529864 /nfs/dbraw/zinc/52/98/64/689529864.db2.gz BIFSJCCTYBJSAH-CQSZACIVSA-N 1 0 352.431 2.462 20 10 FECDRO COc1cccc(C[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000894458429 689536072 /nfs/dbraw/zinc/53/60/72/689536072.db2.gz RBXKSBYZBKTUSN-CQSZACIVSA-N 1 0 352.431 2.126 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895850724 689780949 /nfs/dbraw/zinc/78/09/49/689780949.db2.gz FAWJZPZRQKGYAS-AWEZNQCLSA-N 1 0 353.850 2.098 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000898367646 690167566 /nfs/dbraw/zinc/16/75/66/690167566.db2.gz GFCPHESRGNKSNU-MNOVXSKESA-N 1 0 364.833 2.479 20 10 FECDRO C[C@@H](CCCCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098241 690303409 /nfs/dbraw/zinc/30/34/09/690303409.db2.gz MZUIQFOYDUGJBX-MAUKXSAKSA-N 1 0 350.507 2.206 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)NCCF ZINC000800293895 674038715 /nfs/dbraw/zinc/03/87/15/674038715.db2.gz OEZDQIMXRMVFBF-ZDUSSCGKSA-N 1 0 352.410 2.149 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC(F)(F)F)CC2)cc1 ZINC000044605960 540132734 /nfs/dbraw/zinc/13/27/34/540132734.db2.gz ZCBODKUCCRNRNK-UHFFFAOYSA-N 1 0 359.392 2.276 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000045767932 540226567 /nfs/dbraw/zinc/22/65/67/540226567.db2.gz RNEIESPJUHQVLP-UHFFFAOYSA-N 1 0 358.530 2.271 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000051760016 540443075 /nfs/dbraw/zinc/44/30/75/540443075.db2.gz YQNWTWSEZHIGIU-UHFFFAOYSA-N 1 0 360.502 2.092 20 10 FECDRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000090769400 542788483 /nfs/dbraw/zinc/78/84/83/542788483.db2.gz NYOAEPHVOYTXPL-CZUORRHYSA-N 1 0 368.524 2.300 20 10 FECDRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000090769397 542788491 /nfs/dbraw/zinc/78/84/91/542788491.db2.gz NYOAEPHVOYTXPL-XJKSGUPXSA-N 1 0 368.524 2.300 20 10 FECDRO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092071195 542842601 /nfs/dbraw/zinc/84/26/01/542842601.db2.gz YVLPQLLTAJOYNS-LJQANCHMSA-N 1 0 363.527 2.333 20 10 FECDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011059 542837946 /nfs/dbraw/zinc/83/79/46/542837946.db2.gz XJGKEKJYLPDZAY-QUCCMNQESA-N 1 0 370.497 2.202 20 10 FECDRO CCOc1cccc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)c1O ZINC000093321001 542925901 /nfs/dbraw/zinc/92/59/01/542925901.db2.gz HQZBCOPRKGSDIP-UHFFFAOYSA-N 1 0 356.488 2.037 20 10 FECDRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093454658 542931017 /nfs/dbraw/zinc/93/10/17/542931017.db2.gz AYLQYEDFOZZDMC-FQEVSTJZSA-N 1 0 370.497 2.202 20 10 FECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093613642 542936548 /nfs/dbraw/zinc/93/65/48/542936548.db2.gz LYNHQVCQFKCGGR-PMACEKPBSA-N 1 0 360.498 2.275 20 10 FECDRO C[N@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)Cc1ccccc1O ZINC000111235027 543388650 /nfs/dbraw/zinc/38/86/50/543388650.db2.gz RIGMWBNCNFJJHK-UHFFFAOYSA-N 1 0 367.449 2.267 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(F)nc3)CC2)cc1 ZINC000114162811 543506104 /nfs/dbraw/zinc/50/61/04/543506104.db2.gz HICYKCHAGLEHQQ-UHFFFAOYSA-N 1 0 372.444 2.171 20 10 FECDRO CCC[N@H+](Cc1cc(Br)cc(C)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000802657106 674190306 /nfs/dbraw/zinc/19/03/06/674190306.db2.gz ZVDDZIOFCUNQGK-ZDUSSCGKSA-N 1 0 369.259 2.432 20 10 FECDRO O=C(C[N@@H+]1CCC2(CCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000122930686 543732135 /nfs/dbraw/zinc/73/21/35/543732135.db2.gz OZNMYWVSNJCOHR-UHFFFAOYSA-N 1 0 361.461 2.155 20 10 FECDRO O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1C[C@@H]1c1cccnc1 ZINC000131352598 544187232 /nfs/dbraw/zinc/18/72/32/544187232.db2.gz MEUQZOCNFZUCLL-SJORKVTESA-N 1 0 354.429 2.050 20 10 FECDRO C[C@@](O)(C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000804461350 674288129 /nfs/dbraw/zinc/28/81/29/674288129.db2.gz XNBPKCPMTLPCJQ-QAPCUYQASA-N 1 0 352.862 2.287 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000805180778 674324316 /nfs/dbraw/zinc/32/43/16/674324316.db2.gz CQRFHLQDLCMRJY-NSHDSACASA-N 1 0 368.275 2.438 20 10 FECDRO COc1cc(O)c(CN2CCNC(=O)C[C@H]2c2ccccc2)cc1OC ZINC000159954699 545994870 /nfs/dbraw/zinc/99/48/70/545994870.db2.gz AKSAZGYUSOYLJT-INIZCTEOSA-N 1 0 356.422 2.473 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(CO)o3)CC2)cc1 ZINC000174248919 546294005 /nfs/dbraw/zinc/29/40/05/546294005.db2.gz BCLDBRNWIXAWGP-UHFFFAOYSA-N 1 0 359.470 2.082 20 10 FECDRO CC[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000178263434 546766160 /nfs/dbraw/zinc/76/61/60/546766160.db2.gz CCCDEYODMJZKGC-SFHVURJKSA-N 1 0 353.532 2.465 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN(C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000178796914 546851430 /nfs/dbraw/zinc/85/14/30/546851430.db2.gz UIWBRPHWRYTVFS-AREMUKBSSA-N 1 0 373.522 2.238 20 10 FECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000186158617 548092645 /nfs/dbraw/zinc/09/26/45/548092645.db2.gz ZULCQQFUVNGTKC-STQMWFEESA-N 1 0 355.481 2.248 20 10 FECDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000236841950 548783052 /nfs/dbraw/zinc/78/30/52/548783052.db2.gz WOKJBSNYPOIYMT-VMPITWQZSA-N 1 0 357.498 2.385 20 10 FECDRO C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]C1 ZINC000237597524 548837728 /nfs/dbraw/zinc/83/77/28/548837728.db2.gz CEWZIPMWYXXRID-UGSOOPFHSA-N 1 0 353.413 2.373 20 10 FECDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@H+](C)CCOC)ccc21 ZINC000490222387 561428908 /nfs/dbraw/zinc/42/89/08/561428908.db2.gz DRHGSIXXEFRMFS-UHFFFAOYSA-N 1 0 361.486 2.213 20 10 FECDRO Nc1ccc(CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000262643011 549834559 /nfs/dbraw/zinc/83/45/59/549834559.db2.gz LTXFSVHTQYYFRI-UHFFFAOYSA-N 1 0 353.466 2.084 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000263739162 549928881 /nfs/dbraw/zinc/92/88/81/549928881.db2.gz ZZBWXHIGWOLXSF-OAHLLOKOSA-N 1 0 359.348 2.064 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cc2F)C[C@@H](C)O1 ZINC000271680138 550394787 /nfs/dbraw/zinc/39/47/87/550394787.db2.gz IIRNBJGBCKPBLJ-IIAWOOMASA-N 1 0 370.490 2.106 20 10 FECDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272296235 550435724 /nfs/dbraw/zinc/43/57/24/550435724.db2.gz GCAAFABUJVIRKH-FLTUCWPJSA-N 1 0 351.466 2.429 20 10 FECDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c(O)c1C ZINC000273501040 550500762 /nfs/dbraw/zinc/50/07/62/550500762.db2.gz QEHLTPVEPJORQY-CVEARBPZSA-N 1 0 370.515 2.148 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1O ZINC000275313842 550571587 /nfs/dbraw/zinc/57/15/87/550571587.db2.gz JSWZOOOMUTYDAW-OCCSQVGLSA-N 1 0 356.308 2.360 20 10 FECDRO CC[NH+](CC)CCN(CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278328125 550773336 /nfs/dbraw/zinc/77/33/36/550773336.db2.gz YXPPXYGWGPKGCK-UHFFFAOYSA-N 1 0 355.435 2.099 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000280036649 550954851 /nfs/dbraw/zinc/95/48/51/550954851.db2.gz VAGIVDDIHLRUTE-NSHDSACASA-N 1 0 350.406 2.296 20 10 FECDRO COc1ccc(N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)cc1F ZINC000284721347 551616941 /nfs/dbraw/zinc/61/69/41/551616941.db2.gz FWDICKOAUCSMHP-UHFFFAOYSA-N 1 0 354.385 2.444 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287069251 551959406 /nfs/dbraw/zinc/95/94/06/551959406.db2.gz HETNQSZFOUTVLM-IAGOWNOFSA-N 1 0 361.486 2.120 20 10 FECDRO CN1CCN(C(=O)C2CC[NH+](Cc3c(O)cccc3Cl)CC2)CC1 ZINC000289143774 552272675 /nfs/dbraw/zinc/27/26/75/552272675.db2.gz AMYGHADGNZQXJL-UHFFFAOYSA-N 1 0 351.878 2.032 20 10 FECDRO OCc1cn([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000293581911 552837245 /nfs/dbraw/zinc/83/72/45/552837245.db2.gz HTWHEYALKMMEIR-CQSZACIVSA-N 1 0 367.247 2.076 20 10 FECDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c(O)c1 ZINC000293862011 552863346 /nfs/dbraw/zinc/86/33/46/552863346.db2.gz UPAAWVJJHAWPGF-CQSZACIVSA-N 1 0 355.438 2.075 20 10 FECDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000294634983 552922574 /nfs/dbraw/zinc/92/25/74/552922574.db2.gz ARMNFDVNQXWCEE-HXUWFJFHSA-N 1 0 353.466 2.490 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnn4c3CCC4)cc2F)CC1 ZINC000294641493 552923093 /nfs/dbraw/zinc/92/30/93/552923093.db2.gz OXQWNVSNVIHCAJ-UHFFFAOYSA-N 1 0 371.460 2.040 20 10 FECDRO COC1CCN(c2ccc(C[N@H+](C)CCCN3CC[NH+](C)CC3)cc2)CC1 ZINC000294879395 552941098 /nfs/dbraw/zinc/94/10/98/552941098.db2.gz FBMQCFKQVOJMBO-UHFFFAOYSA-N 1 0 374.573 2.371 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNCc3ccnc(OC)n3)cc2F)CC1 ZINC000294935683 552945445 /nfs/dbraw/zinc/94/54/45/552945445.db2.gz DMMKGLFSSYENGG-UHFFFAOYSA-N 1 0 359.449 2.056 20 10 FECDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(C)n1-c1ccccn1 ZINC000295357961 552993275 /nfs/dbraw/zinc/99/32/75/552993275.db2.gz FOSVYRPTEBTJEA-QGZVFWFLSA-N 1 0 356.470 2.066 20 10 FECDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCNS(C)(=O)=O)cc1 ZINC000296747353 553206489 /nfs/dbraw/zinc/20/64/89/553206489.db2.gz PJNVNERHNDHYDI-UHFFFAOYSA-N 1 0 367.540 2.413 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000297590273 553312844 /nfs/dbraw/zinc/31/28/44/553312844.db2.gz CERUPRJXFNFUST-OAQYLSRUSA-N 1 0 373.497 2.075 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@]3(C)[C@H](C1)C3(F)F)cc2=O ZINC000298234611 553401357 /nfs/dbraw/zinc/40/13/57/553401357.db2.gz HZXNJGZTRZSWOC-BLLLJJGKSA-N 1 0 366.368 2.089 20 10 FECDRO O=C1[C@H]([N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473061 555113807 /nfs/dbraw/zinc/11/38/07/555113807.db2.gz XTWLQQCXANBEQQ-RTBURBONSA-N 1 0 374.481 2.153 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000367701446 556118055 /nfs/dbraw/zinc/11/80/55/556118055.db2.gz KUZQKGVTMHYPIB-ZDUSSCGKSA-N 1 0 371.437 2.499 20 10 FECDRO OCC1([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCCO2)CCC1 ZINC000367960152 556182629 /nfs/dbraw/zinc/18/26/29/556182629.db2.gz XIIOTMICVUNNHV-VQTJNVASSA-N 1 0 360.498 2.323 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H]2CCN(C(=O)Cc3ccccc3)C2)cc1OC ZINC000368488740 556324761 /nfs/dbraw/zinc/32/47/61/556324761.db2.gz SRHIZNGLOHUTIF-KRWDZBQOSA-N 1 0 370.449 2.343 20 10 FECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000515653167 562018436 /nfs/dbraw/zinc/01/84/36/562018436.db2.gz WRHWZEFPPGKMNG-SFHVURJKSA-N 1 0 359.470 2.121 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCc3nn(C(C)C)c(=O)cc3C2)c1O ZINC000370217094 556813553 /nfs/dbraw/zinc/81/35/53/556813553.db2.gz XRFBBBKXLLQFGZ-UHFFFAOYSA-N 1 0 359.401 2.430 20 10 FECDRO CN(C)C(=O)COc1ccccc1C[NH2+]Cc1ccc2c(c1)CCN2C ZINC000370427777 556870144 /nfs/dbraw/zinc/87/01/44/556870144.db2.gz IYZZZFZDPSJXQE-UHFFFAOYSA-N 1 0 353.466 2.436 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373254660 557659122 /nfs/dbraw/zinc/65/91/22/557659122.db2.gz FXYMPQJWBMJFFR-KGLIPLIRSA-N 1 0 355.438 2.429 20 10 FECDRO O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000373347075 557676800 /nfs/dbraw/zinc/67/68/00/557676800.db2.gz VXPOEBUZHBEBEX-IBGZPJMESA-N 1 0 356.470 2.192 20 10 FECDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000374516380 557893644 /nfs/dbraw/zinc/89/36/44/557893644.db2.gz XHGSIMVHARUJAA-RYGJVYDSSA-N 1 0 357.498 2.452 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1OC ZINC000375407037 558021938 /nfs/dbraw/zinc/02/19/38/558021938.db2.gz VUVZHCALPPMZOJ-CLCXKQKWSA-N 1 0 351.443 2.161 20 10 FECDRO Cn1cc([C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C(N)=O)cn1 ZINC000375517906 558041931 /nfs/dbraw/zinc/04/19/31/558041931.db2.gz BUNQFTUZKLTUGN-UXHICEINSA-N 1 0 367.497 2.111 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000377491187 558350669 /nfs/dbraw/zinc/35/06/69/558350669.db2.gz QZMNKVLGVBYSNI-UHFFFAOYSA-N 1 0 355.486 2.314 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)cc1 ZINC000378470273 558565004 /nfs/dbraw/zinc/56/50/04/558565004.db2.gz AAFUWEBFPUNKGQ-FUHWJXTLSA-N 1 0 355.486 2.186 20 10 FECDRO CC(=O)NCCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000443950233 560097134 /nfs/dbraw/zinc/09/71/34/560097134.db2.gz QOXYIXYWFGTARJ-UHFFFAOYSA-N 1 0 370.497 2.050 20 10 FECDRO COCCn1c(C)c(C)c2cc(C(=O)NCCOCC[NH+](C)C)ccc21 ZINC000476318422 561116336 /nfs/dbraw/zinc/11/63/36/561116336.db2.gz FAIJRSLVHRTVPT-UHFFFAOYSA-N 1 0 361.486 2.213 20 10 FECDRO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)C1CC1 ZINC000808227173 674448022 /nfs/dbraw/zinc/44/80/22/674448022.db2.gz UZNGEETZUXBLNE-CQSZACIVSA-N 1 0 364.511 2.175 20 10 FECDRO Oc1cc2c(cc1C[NH2+]C1(c3cccc(-c4nn[nH]n4)c3)CC1)OCO2 ZINC000826510963 607706761 /nfs/dbraw/zinc/70/67/61/607706761.db2.gz UUXRCZNCKLUGKC-UHFFFAOYSA-N 1 0 351.366 2.080 20 10 FECDRO Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000826298404 608590729 /nfs/dbraw/zinc/59/07/29/608590729.db2.gz RARAYXUBGYATHW-QGZVFWFLSA-N 1 0 351.410 2.454 20 10 FECDRO Cc1ccc(O)c(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000826291579 608596331 /nfs/dbraw/zinc/59/63/31/608596331.db2.gz MHPDETXXPWAKGT-UHFFFAOYSA-N 1 0 368.416 2.342 20 10 FECDRO Oc1ccccc1C[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511498 608872675 /nfs/dbraw/zinc/87/26/75/608872675.db2.gz SJDYTNDTDJKJMV-UHFFFAOYSA-N 1 0 364.453 2.280 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NOC/C=C/Cl)cc2F)CC1 ZINC000811985165 674645171 /nfs/dbraw/zinc/64/51/71/674645171.db2.gz ZOCFOUCWXFBJEE-ZZXKWVIFSA-N 1 0 370.856 2.451 20 10 FECDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000092217800 670736599 /nfs/dbraw/zinc/73/65/99/670736599.db2.gz SLYKMIGBMHGYSA-OAHLLOKOSA-N 1 0 355.276 2.451 20 10 FECDRO CCCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106896024 670815608 /nfs/dbraw/zinc/81/56/08/670815608.db2.gz AGMJNEYVYUYRFP-UHFFFAOYSA-N 1 0 357.495 2.187 20 10 FECDRO C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000817971853 675188265 /nfs/dbraw/zinc/18/82/65/675188265.db2.gz HWUFWONSRBLKAO-RNCFNFMXSA-N 1 0 353.335 2.157 20 10 FECDRO COC(=O)C[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267459 672121519 /nfs/dbraw/zinc/12/15/19/672121519.db2.gz FERGQRHNZXLYAT-DOMZBBRYSA-N 1 0 368.861 2.325 20 10 FECDRO COCCC[NH+]1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000153140938 672193768 /nfs/dbraw/zinc/19/37/68/672193768.db2.gz QNQSQDZWTOHBOR-UHFFFAOYSA-N 1 0 372.560 2.425 20 10 FECDRO C[N@H+](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000154126820 672211188 /nfs/dbraw/zinc/21/11/88/672211188.db2.gz QJOYPVRGSIROAS-SJORKVTESA-N 1 0 364.511 2.337 20 10 FECDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000159678296 672284452 /nfs/dbraw/zinc/28/44/52/672284452.db2.gz GSMDZDMPMMGBTM-UHFFFAOYSA-N 1 0 362.543 2.477 20 10 FECDRO COc1cc(N2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc(OC)c1OC ZINC000183695509 672477325 /nfs/dbraw/zinc/47/73/25/672477325.db2.gz JJHYOBPZHTVFRJ-HZPDHXFCSA-N 1 0 350.459 2.138 20 10 FECDRO CN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000185503598 672528800 /nfs/dbraw/zinc/52/88/00/672528800.db2.gz JBBHFXHLYFIUHB-UHFFFAOYSA-N 1 0 350.532 2.333 20 10 FECDRO C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726625588 673132863 /nfs/dbraw/zinc/13/28/63/673132863.db2.gz KCXQUQCQSHUEOJ-INIZCTEOSA-N 1 0 353.413 2.467 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C2CCC(C(N)=O)CC2)c1O ZINC000727645507 673176944 /nfs/dbraw/zinc/17/69/44/673176944.db2.gz NYLWLOVJXBMEON-UHFFFAOYSA-N 1 0 357.248 2.297 20 10 FECDRO C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000729683803 673243800 /nfs/dbraw/zinc/24/38/00/673243800.db2.gz BLIKACMPYBXPEA-UHFFFAOYSA-N 1 0 356.308 2.272 20 10 FECDRO C[C@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)S(C)(=O)=O ZINC000819120168 675262449 /nfs/dbraw/zinc/26/24/49/675262449.db2.gz MZXUDOJKTJSWBE-OLZOCXBDSA-N 1 0 362.442 2.280 20 10 FECDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000819688899 675309297 /nfs/dbraw/zinc/30/92/97/675309297.db2.gz OZEUAEPIXIDGOA-INIZCTEOSA-N 1 0 358.511 2.275 20 10 FECDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000824242627 675591440 /nfs/dbraw/zinc/59/14/40/675591440.db2.gz RPZHBUNJRCECOX-QGZVFWFLSA-N 1 0 365.524 2.247 20 10 FECDRO COC[C@](C)(O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824559818 675610339 /nfs/dbraw/zinc/61/03/39/675610339.db2.gz ZPPDNVNHTMJZLY-GOSISDBHSA-N 1 0 351.447 2.462 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCCCN2CCO)c1O ZINC000824583664 675612166 /nfs/dbraw/zinc/61/21/66/675612166.db2.gz OEIMLZHVOIUYQF-CQSZACIVSA-N 1 0 373.291 2.100 20 10 FECDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827457810 675757427 /nfs/dbraw/zinc/75/74/27/675757427.db2.gz IHJQIMGOKRHPDX-GASCZTMLSA-N 1 0 358.873 2.476 20 10 FECDRO O=C(C[C@@H]1CC[NH2+]C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828357785 675815233 /nfs/dbraw/zinc/81/52/33/675815233.db2.gz DPEDKUTXDKLQPZ-ZDUSSCGKSA-N 1 0 353.413 2.373 20 10 FECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000830544623 677046458 /nfs/dbraw/zinc/04/64/58/677046458.db2.gz SAABHVDTGMFKHZ-AIANPOQGSA-N 1 0 350.846 2.019 20 10 FECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000761206699 680714895 /nfs/dbraw/zinc/71/48/95/680714895.db2.gz NTPJFDKCRKNNJB-IINYFYTJSA-N 1 0 364.833 2.071 20 10 FECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000761228891 680715816 /nfs/dbraw/zinc/71/58/16/680715816.db2.gz NVKMTURDKAYOGK-CQSZACIVSA-N 1 0 368.275 2.499 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1O ZINC000840961903 680857400 /nfs/dbraw/zinc/85/74/00/680857400.db2.gz FXXDYWAXRWVFDR-MFKMUULPSA-N 1 0 360.248 2.040 20 10 FECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000748632504 679981771 /nfs/dbraw/zinc/98/17/71/679981771.db2.gz KKRZOXWSEDLELO-GOSISDBHSA-N 1 0 350.532 2.298 20 10 FECDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000749792476 680075142 /nfs/dbraw/zinc/07/51/42/680075142.db2.gz LXSNKJUXGFEIGX-CYBMUJFWSA-N 1 0 360.435 2.415 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccncc2Br)cc1 ZINC000832266444 680118942 /nfs/dbraw/zinc/11/89/42/680118942.db2.gz GCYNUNHYCODBAA-OAHLLOKOSA-N 1 0 363.259 2.340 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000835052006 680291406 /nfs/dbraw/zinc/29/14/06/680291406.db2.gz JRPVSYLWRDCAOB-SNAWJCMRSA-N 1 0 351.516 2.027 20 10 FECDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754723367 680373188 /nfs/dbraw/zinc/37/31/88/680373188.db2.gz QZHVVRXSBFZMLQ-GJZGRUSLSA-N 1 0 350.459 2.072 20 10 FECDRO C[C@@H]1C[C@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000756512195 680482318 /nfs/dbraw/zinc/48/23/18/680482318.db2.gz XOTCTEXDMNSPLJ-RISCZKNCSA-N 1 0 356.463 2.341 20 10 FECDRO C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756603656 680488554 /nfs/dbraw/zinc/48/85/54/680488554.db2.gz JKWHYTYFHWGLSD-SNVBAGLBSA-N 1 0 361.255 2.401 20 10 FECDRO C[NH+](C)CCOC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759600240 680658040 /nfs/dbraw/zinc/65/80/40/680658040.db2.gz BZNWHALTGAZGDH-UHFFFAOYSA-N 1 0 372.560 2.378 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841707370 680908253 /nfs/dbraw/zinc/90/82/53/680908253.db2.gz SHSZZFGJXWVFPP-SJORKVTESA-N 1 0 360.527 2.276 20 10 FECDRO C[C@@](O)(C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1)C(F)(F)F ZINC000767513901 680914759 /nfs/dbraw/zinc/91/47/59/680914759.db2.gz MQYSZFHQLFYIMM-GOEBONIOSA-N 1 0 361.360 2.343 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000842681632 680959247 /nfs/dbraw/zinc/95/92/47/680959247.db2.gz PAZFKGQXVGJQBF-UHFFFAOYSA-N 1 0 351.447 2.137 20 10 FECDRO CCOc1cccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000842722327 680962086 /nfs/dbraw/zinc/96/20/86/680962086.db2.gz PFPDLBMTUOTSFA-CQSZACIVSA-N 1 0 363.435 2.115 20 10 FECDRO Cc1c(F)cccc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785078 680966314 /nfs/dbraw/zinc/96/63/14/680966314.db2.gz OHAVBTVWSKFVMU-INIZCTEOSA-N 1 0 351.447 2.178 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000842785233 680966355 /nfs/dbraw/zinc/96/63/55/680966355.db2.gz FOQFFXVPCCFWID-OAHLLOKOSA-N 1 0 355.410 2.009 20 10 FECDRO O=C([C@@H]1C[NH2+]CCC1(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843487100 681006626 /nfs/dbraw/zinc/00/66/26/681006626.db2.gz ZLIZVYPAGRCPMM-GJZGRUSLSA-N 1 0 354.397 2.145 20 10 FECDRO Cc1nonc1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000845833695 681155856 /nfs/dbraw/zinc/15/58/56/681155856.db2.gz MOKUWOKWIQBIBP-AWEZNQCLSA-N 1 0 364.833 2.060 20 10 FECDRO COc1c(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)ccc1[N+](=O)[O-] ZINC000775100171 681274934 /nfs/dbraw/zinc/27/49/34/681274934.db2.gz BBAGNIRXAUPMDI-UHFFFAOYSA-N 1 0 372.424 2.064 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000775373770 681301774 /nfs/dbraw/zinc/30/17/74/681301774.db2.gz WVXGUWYWEFLECQ-UWVGGRQHSA-N 1 0 363.439 2.239 20 10 FECDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000775998617 681355775 /nfs/dbraw/zinc/35/57/75/681355775.db2.gz GZIGKLJQFNCUKG-CHWSQXEVSA-N 1 0 352.431 2.366 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCS(C)(=O)=O)c1O ZINC000848523636 681571296 /nfs/dbraw/zinc/57/12/96/681571296.db2.gz AJSMNAXTRZTYMO-VIFPVBQESA-N 1 0 366.277 2.249 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1O ZINC000848528204 681572015 /nfs/dbraw/zinc/57/20/15/681572015.db2.gz KJWGFHLBPQAQEZ-AAEUAGOBSA-N 1 0 372.307 2.060 20 10 FECDRO CCN1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1=O ZINC000848553375 681576934 /nfs/dbraw/zinc/57/69/34/681576934.db2.gz KXCKJSLKNSSPKC-MWLCHTKSSA-N 1 0 357.248 2.435 20 10 FECDRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCCCSc1nccs1 ZINC000914105736 685494726 /nfs/dbraw/zinc/49/47/26/685494726.db2.gz LSFVLBKJAALZMO-AWEZNQCLSA-N 1 0 361.558 2.031 20 10 FECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000781921250 681989407 /nfs/dbraw/zinc/98/94/07/681989407.db2.gz RKNUCDWOQZHSKF-HNNXBMFYSA-N 1 0 368.499 2.227 20 10 FECDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000852789407 682343301 /nfs/dbraw/zinc/34/33/01/682343301.db2.gz DSMDSDJVMSNLKH-HNNXBMFYSA-N 1 0 359.392 2.156 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1O ZINC000788467436 682531979 /nfs/dbraw/zinc/53/19/79/682531979.db2.gz HKGIJTPCPYZEJA-MSOLQXFVSA-N 1 0 350.434 2.467 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000792186712 682795231 /nfs/dbraw/zinc/79/52/31/682795231.db2.gz PVULNNQXPOXAQP-ZDUSSCGKSA-N 1 0 369.259 2.360 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1 ZINC000794462524 682971027 /nfs/dbraw/zinc/97/10/27/682971027.db2.gz REAVNLRLYQUVLK-QWHCGFSZSA-N 1 0 354.447 2.327 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCSCC[C@H]3C)CC2)cc1 ZINC000794570061 682980309 /nfs/dbraw/zinc/98/03/09/682980309.db2.gz FIPDODWSVIECAB-MRXNPFEDSA-N 1 0 363.527 2.171 20 10 FECDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000862248527 683558513 /nfs/dbraw/zinc/55/85/13/683558513.db2.gz MAIAQJZICWQEKS-ZDUSSCGKSA-N 1 0 355.276 2.309 20 10 FECDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862349850 683575263 /nfs/dbraw/zinc/57/52/63/683575263.db2.gz UGZVQDXCUGGGMY-QWHCGFSZSA-N 1 0 374.275 2.001 20 10 FECDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922318576 683697148 /nfs/dbraw/zinc/69/71/48/683697148.db2.gz PBMCHAZUXNGMHS-UHFFFAOYSA-N 1 0 360.479 2.252 20 10 FECDRO FC(F)(F)[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)n1cncn1 ZINC000865682756 684013778 /nfs/dbraw/zinc/01/37/78/684013778.db2.gz KJQSAACWJMULPI-OAHLLOKOSA-N 1 0 355.364 2.008 20 10 FECDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000865739653 684021346 /nfs/dbraw/zinc/02/13/46/684021346.db2.gz YMAWQAHHSBBPMR-WBMJQRKESA-N 1 0 357.292 2.271 20 10 FECDRO CC[N@@H+]1CCC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925289993 684547112 /nfs/dbraw/zinc/54/71/12/684547112.db2.gz AFRPUHABDJAXOT-CQSZACIVSA-N 1 0 351.834 2.294 20 10 FECDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCOC1 ZINC000872036059 684916647 /nfs/dbraw/zinc/91/66/47/684916647.db2.gz RSEXSTIAYHGYBP-MJGOQNOKSA-N 1 0 366.527 2.216 20 10 FECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCOC1 ZINC000872036061 684916701 /nfs/dbraw/zinc/91/67/01/684916701.db2.gz RSEXSTIAYHGYBP-PKOBYXMFSA-N 1 0 366.527 2.216 20 10 FECDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000872255106 684932528 /nfs/dbraw/zinc/93/25/28/684932528.db2.gz PKVMKARPQMVWIH-BNOWGMLFSA-N 1 0 372.252 2.066 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(P(C)(C)=O)cc2)cc1 ZINC000911668234 685241339 /nfs/dbraw/zinc/24/13/39/685241339.db2.gz WVWBZUWNNQDCBJ-GOSISDBHSA-N 1 0 359.410 2.430 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877592659 686418174 /nfs/dbraw/zinc/41/81/74/686418174.db2.gz RLVDLUHCJQZBKR-HNNXBMFYSA-N 1 0 361.511 2.429 20 10 FECDRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@@H](C)c1ccccc1O ZINC000879650552 686879768 /nfs/dbraw/zinc/87/97/68/686879768.db2.gz GZUUFTUXZNXFKV-KPENOIPVSA-N 1 0 350.440 2.023 20 10 FECDRO CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882890254 687523367 /nfs/dbraw/zinc/52/33/67/687523367.db2.gz SQQQOWKLPDXZSU-GFCCVEGCSA-N 1 0 374.298 2.409 20 10 FECDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000885983283 688192029 /nfs/dbraw/zinc/19/20/29/688192029.db2.gz BXWRHOLPNOFLJU-IEBWSBKVSA-N 1 0 366.527 2.359 20 10 FECDRO C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000886665523 688287699 /nfs/dbraw/zinc/28/76/99/688287699.db2.gz AKKXASPQBSHMLU-UAGQMJEPSA-N 1 0 352.450 2.243 20 10 FECDRO COCc1ncsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246299 689039681 /nfs/dbraw/zinc/03/96/81/689039681.db2.gz BXLRNCNKRNUUGI-INIZCTEOSA-N 1 0 362.499 2.388 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891369177 689055355 /nfs/dbraw/zinc/05/53/55/689055355.db2.gz MMARVMCNKMKNPT-QZTJIDSGSA-N 1 0 360.527 2.276 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CC(S(C)(=O)=O)C3)cc2F)C[C@@H](C)O1 ZINC000892621504 689219836 /nfs/dbraw/zinc/21/98/36/689219836.db2.gz JQRVFOSIGBLAIX-KCNJBTMXSA-N 1 0 370.490 2.105 20 10 FECDRO F[C@@H]1CC2(CC[C@H]1[NH2+]Cc1ccc(N3CCOCC3)cc1)OCCO2 ZINC000892668907 689225940 /nfs/dbraw/zinc/22/59/40/689225940.db2.gz UEYUBGURFHNNET-QZTJIDSGSA-N 1 0 350.434 2.247 20 10 FECDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)nc4nc[nH]c43)cc2)CC1 ZINC000895144263 689667133 /nfs/dbraw/zinc/66/71/33/689667133.db2.gz HWZLAVWYAPOSJJ-UHFFFAOYSA-N 1 0 357.849 2.322 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1OC ZINC000895819553 689775619 /nfs/dbraw/zinc/77/56/19/689775619.db2.gz ASWACQNOHBQCSR-QRDCCXFBSA-N 1 0 351.443 2.472 20 10 FECDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896136950 689825480 /nfs/dbraw/zinc/82/54/80/689825480.db2.gz ADZUJBHLMDMTPL-GFCCVEGCSA-N 1 0 350.440 2.153 20 10 FECDRO O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3O)C2)nc[nH]1 ZINC000898151726 690134839 /nfs/dbraw/zinc/13/48/39/690134839.db2.gz UIZQBWWLNODAKD-GFCCVEGCSA-N 1 0 365.231 2.019 20 10 FECDRO CCOc1ccc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c(O)c1 ZINC000898286181 690154321 /nfs/dbraw/zinc/15/43/21/690154321.db2.gz DERVVHJWVLTDSW-UHFFFAOYSA-N 1 0 364.467 2.477 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1F ZINC000898363566 690166260 /nfs/dbraw/zinc/16/62/60/690166260.db2.gz BVQGNECFVWYAJG-GFCCVEGCSA-N 1 0 365.840 2.409 20 10 FECDRO C[C@H](CCCCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098242 690303387 /nfs/dbraw/zinc/30/33/87/690303387.db2.gz MZUIQFOYDUGJBX-QAPCUYQASA-N 1 0 350.507 2.206 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)NCCC(C)(C)CO)[NH+](C)C)cc1 ZINC000899098791 690303870 /nfs/dbraw/zinc/30/38/70/690303870.db2.gz RYYPZELZVQBKIX-KRWDZBQOSA-N 1 0 350.507 2.063 20 10 FECDRO CC(C)[C@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102483 690304436 /nfs/dbraw/zinc/30/44/36/690304436.db2.gz PUUAKHDOGAPSLO-ZWKOTPCHSA-N 1 0 350.507 2.062 20 10 FECDRO CN(C)c1ccc([C@@H](CN2C(=O)N[C@@](C)(CCF)C2=O)[NH+](C)C)cc1 ZINC000900184960 690481053 /nfs/dbraw/zinc/48/10/53/690481053.db2.gz IDAXHKPIPDEGBL-QAPCUYQASA-N 1 0 350.438 2.025 20 10 FECDRO CC(C)[NH+](CCNC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000054786571 540609991 /nfs/dbraw/zinc/60/99/91/540609991.db2.gz USBUOHMATPVRGG-UHFFFAOYSA-N 1 0 362.518 2.441 20 10 FECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)Cn1cccn1 ZINC000076118477 542234639 /nfs/dbraw/zinc/23/46/39/542234639.db2.gz BPRYGOLVXGNFHW-AWEZNQCLSA-N 1 0 354.248 2.234 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079550756 542526785 /nfs/dbraw/zinc/52/67/85/542526785.db2.gz FISHYYJQBJCORY-VQTJNVASSA-N 1 0 372.513 2.291 20 10 FECDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000247435530 549334044 /nfs/dbraw/zinc/33/40/44/549334044.db2.gz PAIFARKDSXDWPD-JWLNDWNSSA-N 1 0 357.498 2.335 20 10 FECDRO CCOCCCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106515975 543232173 /nfs/dbraw/zinc/23/21/73/543232173.db2.gz MTJREGIQEGACRL-UHFFFAOYSA-N 1 0 366.481 2.193 20 10 FECDRO C[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccccc1O ZINC000109773753 543338391 /nfs/dbraw/zinc/33/83/91/543338391.db2.gz BTGMYGFGGMTMPQ-KRWDZBQOSA-N 1 0 353.466 2.467 20 10 FECDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)c(C)n1-c1ccccn1 ZINC000113991493 543500519 /nfs/dbraw/zinc/50/05/19/543500519.db2.gz BDHRYJMWCYOXBW-UHFFFAOYSA-N 1 0 356.470 2.330 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000114751401 543535139 /nfs/dbraw/zinc/53/51/39/543535139.db2.gz OIZAPPYNFMYCBW-INIZCTEOSA-N 1 0 371.403 2.417 20 10 FECDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000137256541 544387742 /nfs/dbraw/zinc/38/77/42/544387742.db2.gz SXPFKGZIQOCROP-ICSRJNTNSA-N 1 0 372.513 2.149 20 10 FECDRO O=C(COC(F)F)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000802981418 674212281 /nfs/dbraw/zinc/21/22/81/674212281.db2.gz RWGIWVOXFAFFHJ-UHFFFAOYSA-N 1 0 353.413 2.074 20 10 FECDRO Nc1nc(-n2cccn2)cc(NCc2cc(Br)ccc2O)[nH+]1 ZINC000804827671 674302678 /nfs/dbraw/zinc/30/26/78/674302678.db2.gz CDENADPKPMFNJW-UHFFFAOYSA-N 1 0 361.203 2.325 20 10 FECDRO CCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165488286 546153516 /nfs/dbraw/zinc/15/35/16/546153516.db2.gz RDMOOHXZWXZWNC-OAHLLOKOSA-N 1 0 359.392 2.286 20 10 FECDRO CC[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000178263445 546765913 /nfs/dbraw/zinc/76/59/13/546765913.db2.gz CCCDEYODMJZKGC-GOSISDBHSA-N 1 0 353.532 2.465 20 10 FECDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)[C@H](C)C1 ZINC000179502234 546966802 /nfs/dbraw/zinc/96/68/02/546966802.db2.gz IAKXLEZDMKQBFD-GDBMZVCRSA-N 1 0 350.459 2.273 20 10 FECDRO COc1ccccc1NC(=O)CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179583104 546981491 /nfs/dbraw/zinc/98/14/91/546981491.db2.gz LUZFIETVEOEAJW-UHFFFAOYSA-N 1 0 355.438 2.157 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3csnc3C)CC2)cc1 ZINC000179666606 546994677 /nfs/dbraw/zinc/99/46/77/546994677.db2.gz AWJCBAQZNSGPGO-UHFFFAOYSA-N 1 0 374.510 2.402 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000179859679 547021741 /nfs/dbraw/zinc/02/17/41/547021741.db2.gz ACYXHKRKNQRQQJ-ZOBUZTSGSA-N 1 0 364.486 2.483 20 10 FECDRO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000180608843 547141841 /nfs/dbraw/zinc/14/18/41/547141841.db2.gz WSHZNNDNOBCRPS-NVXWUHKLSA-N 1 0 355.486 2.343 20 10 FECDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180905825 547206155 /nfs/dbraw/zinc/20/61/55/547206155.db2.gz JBCJNRFFXJUWLR-UHFFFAOYSA-N 1 0 354.403 2.071 20 10 FECDRO COc1cc(O)c(C[NH2+]CC(=O)N2CCCc3ccccc32)cc1OC ZINC000181033763 547234633 /nfs/dbraw/zinc/23/46/33/547234633.db2.gz FYLPTFXMPUGWBF-UHFFFAOYSA-N 1 0 356.422 2.478 20 10 FECDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1O ZINC000183552580 547679998 /nfs/dbraw/zinc/67/99/98/547679998.db2.gz JZSNHOUUJBRCKH-JTQLQIEISA-N 1 0 352.378 2.357 20 10 FECDRO COc1cc(Cl)cc(C[N@H+](CCO)CCOCC(F)(F)F)c1O ZINC000184691712 547866113 /nfs/dbraw/zinc/86/61/13/547866113.db2.gz UOOUBXBPTFASLR-UHFFFAOYSA-N 1 0 357.756 2.427 20 10 FECDRO COc1cccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1O ZINC000185852566 548045341 /nfs/dbraw/zinc/04/53/41/548045341.db2.gz FPQXOKASGFWJPT-UHFFFAOYSA-N 1 0 362.451 2.231 20 10 FECDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000186147438 548091359 /nfs/dbraw/zinc/09/13/59/548091359.db2.gz LYIZAIWOFGFIDK-INIZCTEOSA-N 1 0 374.529 2.096 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c1O ZINC000186962051 548228960 /nfs/dbraw/zinc/22/89/60/548228960.db2.gz CZGUCLSCCQPCRZ-SNVBAGLBSA-N 1 0 365.293 2.053 20 10 FECDRO C[N@H+](CCN1CCN(C(=O)Cc2ccc(N)cc2)CC1)Cc1ccccc1 ZINC000237137014 548802799 /nfs/dbraw/zinc/80/27/99/548802799.db2.gz RYFDLOLHMNZURK-UHFFFAOYSA-N 1 0 366.509 2.088 20 10 FECDRO COc1ccc(N2CCCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000237264633 548813786 /nfs/dbraw/zinc/81/37/86/548813786.db2.gz IHVLYILRLFRKGB-HXUWFJFHSA-N 1 0 353.466 2.304 20 10 FECDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000237452429 548827798 /nfs/dbraw/zinc/82/77/98/548827798.db2.gz QEDTZNISAALQFZ-FQEVSTJZSA-N 1 0 369.465 2.283 20 10 FECDRO [NH3+]C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000237826422 548856514 /nfs/dbraw/zinc/85/65/14/548856514.db2.gz YLMOHLBQHXLMDQ-KRWDZBQOSA-N 1 0 357.429 2.021 20 10 FECDRO CCN(CCOC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000264344857 549994354 /nfs/dbraw/zinc/99/43/54/549994354.db2.gz JQVIERWLXVHCCT-UHFFFAOYSA-N 1 0 366.481 2.146 20 10 FECDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000265811996 550014419 /nfs/dbraw/zinc/01/44/19/550014419.db2.gz VWNXAKGTERWYIT-WMZOPIPTSA-N 1 0 370.449 2.094 20 10 FECDRO CN1CC[N@H+](CCCNC(=O)Cc2ccc(N)cc2)[C@H](c2ccccc2)C1 ZINC000269244899 550171941 /nfs/dbraw/zinc/17/19/41/550171941.db2.gz DBJVSZBLAMIXOS-NRFANRHFSA-N 1 0 366.509 2.306 20 10 FECDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623173 550505795 /nfs/dbraw/zinc/50/57/95/550505795.db2.gz ZSTPJJILSCSZLC-RISCZKNCSA-N 1 0 370.291 2.145 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275140612 550570607 /nfs/dbraw/zinc/57/06/07/550570607.db2.gz VFNMZUUODIYUAJ-JTQLQIEISA-N 1 0 362.323 2.234 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H](c3nccn3C)C3CC3)CC2)cc1 ZINC000275124022 550570656 /nfs/dbraw/zinc/57/06/56/550570656.db2.gz UKALJZNTIYRLQI-HXUWFJFHSA-N 1 0 369.513 2.292 20 10 FECDRO CN1CCCc2cc(CNC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)ccc21 ZINC000276817055 550599570 /nfs/dbraw/zinc/59/95/70/550599570.db2.gz FNKHHTGRBATFTA-QGZVFWFLSA-N 1 0 353.470 2.120 20 10 FECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277403460 550666276 /nfs/dbraw/zinc/66/62/76/550666276.db2.gz JZRMWFXIQDCPGP-QMTHXVAHSA-N 1 0 368.275 2.437 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3[nH]ccc3C)CC2)cc1 ZINC000280587686 551010283 /nfs/dbraw/zinc/01/02/83/551010283.db2.gz NMHIFDIDTHRBPA-UHFFFAOYSA-N 1 0 356.470 2.274 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1OC ZINC000282845182 551276918 /nfs/dbraw/zinc/27/69/18/551276918.db2.gz DAKBVFQNZVSZQP-ACJLOTCBSA-N 1 0 351.443 2.067 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000284726272 551617810 /nfs/dbraw/zinc/61/78/10/551617810.db2.gz CWOJAINXJSPLTK-WIBUTAKZSA-N 1 0 355.486 2.499 20 10 FECDRO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1O ZINC000284732157 551619821 /nfs/dbraw/zinc/61/98/21/551619821.db2.gz CQLUNZOUWMCNAM-VQIMIIECSA-N 1 0 354.454 2.418 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000288960814 552244045 /nfs/dbraw/zinc/24/40/45/552244045.db2.gz HEXNYJWKZFYQIG-QAPCUYQASA-N 1 0 373.497 2.120 20 10 FECDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000289271974 552293218 /nfs/dbraw/zinc/29/32/18/552293218.db2.gz GKXMTTJKMGAEBU-SWLSCSKDSA-N 1 0 355.276 2.450 20 10 FECDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1O ZINC000289369399 552308854 /nfs/dbraw/zinc/30/88/54/552308854.db2.gz LGUBVKHOJSTGLY-ZDUSSCGKSA-N 1 0 360.907 2.457 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(O)c2)c1 ZINC000289466045 552326253 /nfs/dbraw/zinc/32/62/53/552326253.db2.gz OVUDGZWTAGYTEV-OAHLLOKOSA-N 1 0 361.438 2.446 20 10 FECDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000289857025 552389720 /nfs/dbraw/zinc/38/97/20/552389720.db2.gz GFHWLHCVCHRMKA-DNUAJFIVSA-N 1 0 363.477 2.444 20 10 FECDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C[NH3+])OC)cc1 ZINC000289882868 552394322 /nfs/dbraw/zinc/39/43/22/552394322.db2.gz HZHQRHIROVKRAO-IBGZPJMESA-N 1 0 357.454 2.268 20 10 FECDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000290127894 552431319 /nfs/dbraw/zinc/43/13/19/552431319.db2.gz ZXJUZBLIBVDTAB-FQEVSTJZSA-N 1 0 363.477 2.352 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3nc(C)oc3C)CC2)cc1 ZINC000292667979 552748113 /nfs/dbraw/zinc/74/81/13/552748113.db2.gz HPBWWIZXWDXRIX-UHFFFAOYSA-N 1 0 372.469 2.242 20 10 FECDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1O ZINC000294675421 552925728 /nfs/dbraw/zinc/92/57/28/552925728.db2.gz AVQBZGUTVTXTLG-CABCVRRESA-N 1 0 355.276 2.368 20 10 FECDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000296383371 553151255 /nfs/dbraw/zinc/15/12/55/553151255.db2.gz KOMLZZAFNPIWTF-RBSFLKMASA-N 1 0 351.466 2.444 20 10 FECDRO O=S(=O)(N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1)C(F)(F)F ZINC000297521607 553303510 /nfs/dbraw/zinc/30/35/10/553303510.db2.gz DBADFBJBHJWYML-GFCCVEGCSA-N 1 0 364.389 2.283 20 10 FECDRO CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000298649298 553454085 /nfs/dbraw/zinc/45/40/85/553454085.db2.gz LNEOZMPNVWYGNH-UHFFFAOYSA-N 1 0 360.502 2.149 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000298753592 553468580 /nfs/dbraw/zinc/46/85/80/553468580.db2.gz PXUOBURIVNYRHB-WMZOPIPTSA-N 1 0 373.497 2.074 20 10 FECDRO COc1ccc([C@H](CCO)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000299732878 553609520 /nfs/dbraw/zinc/60/95/20/553609520.db2.gz YARYDIYCQQAOTC-FQEVSTJZSA-N 1 0 371.481 2.091 20 10 FECDRO C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000362256178 554958692 /nfs/dbraw/zinc/95/86/92/554958692.db2.gz LHEFQBBZVPPJOM-LBPRGKRZSA-N 1 0 362.442 2.280 20 10 FECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1 ZINC000364795380 555404851 /nfs/dbraw/zinc/40/48/51/555404851.db2.gz YEIDYHXDHZROAC-HNNXBMFYSA-N 1 0 356.470 2.388 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000367355888 556026735 /nfs/dbraw/zinc/02/67/35/556026735.db2.gz HSPDNWQEIZYGDQ-CQSZACIVSA-N 1 0 368.499 2.352 20 10 FECDRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000367689970 556115265 /nfs/dbraw/zinc/11/52/65/556115265.db2.gz SSKKQLIAGPXRPW-GFCCVEGCSA-N 1 0 370.471 2.393 20 10 FECDRO O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368619621 556365290 /nfs/dbraw/zinc/36/52/90/556365290.db2.gz QPYNJMGCDNCRRS-QWHCGFSZSA-N 1 0 374.268 2.361 20 10 FECDRO COc1ccc(N2CCC(N(C)C(=O)NCC[N@H+](C)C3CC3)CC2)cc1 ZINC000369245362 556547636 /nfs/dbraw/zinc/54/76/36/556547636.db2.gz XSJILROWNLATNH-UHFFFAOYSA-N 1 0 360.502 2.400 20 10 FECDRO CN1C(=O)CSC12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000369992189 556751423 /nfs/dbraw/zinc/75/14/23/556751423.db2.gz ALEBZBRLPVPRDD-UHFFFAOYSA-N 1 0 361.511 2.021 20 10 FECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000370613256 556921844 /nfs/dbraw/zinc/92/18/44/556921844.db2.gz YAYLZTSLXNTZFQ-UYAOXDASSA-N 1 0 360.546 2.200 20 10 FECDRO COC(=O)CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372058988 557368689 /nfs/dbraw/zinc/36/86/89/557368689.db2.gz XLTGJIYJQCMMIC-HNNXBMFYSA-N 1 0 368.861 2.470 20 10 FECDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000372611418 557520394 /nfs/dbraw/zinc/52/03/94/557520394.db2.gz HILWGXQMKPDJBV-MRXNPFEDSA-N 1 0 368.481 2.308 20 10 FECDRO Cc1cc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c(C)n1-c1ccccn1 ZINC000372712529 557544986 /nfs/dbraw/zinc/54/49/86/557544986.db2.gz HPJXKNMXDKPCOM-MRXNPFEDSA-N 1 0 356.470 2.018 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)c1 ZINC000372841507 557573408 /nfs/dbraw/zinc/57/34/08/557573408.db2.gz ZFKUAAOBUXCSEA-UHFFFAOYSA-N 1 0 356.426 2.432 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1 ZINC000372892182 557583330 /nfs/dbraw/zinc/58/33/30/557583330.db2.gz QPHCHLQAPSKMHA-QHRIQVFBSA-N 1 0 358.442 2.005 20 10 FECDRO COc1c(O)c(C[N@@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373604824 557728030 /nfs/dbraw/zinc/72/80/30/557728030.db2.gz SSFAMCXSTYLGMQ-GOSISDBHSA-N 1 0 366.414 2.469 20 10 FECDRO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)CC(=O)N1C ZINC000377297281 558309186 /nfs/dbraw/zinc/30/91/86/558309186.db2.gz JLTJLHILYDMVDO-LAUBAEHRSA-N 1 0 369.513 2.412 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)c1 ZINC000377725601 558406221 /nfs/dbraw/zinc/40/62/21/558406221.db2.gz ZQYMMGMDNLJAJH-KBMXLJTQSA-N 1 0 362.449 2.398 20 10 FECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528710629 562343076 /nfs/dbraw/zinc/34/30/76/562343076.db2.gz KQHGSVLRRYSSRF-GFCCVEGCSA-N 1 0 357.410 2.333 20 10 FECDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000806855669 674392950 /nfs/dbraw/zinc/39/29/50/674392950.db2.gz UZYAQVHQDFIAQO-CYBMUJFWSA-N 1 0 356.264 2.438 20 10 FECDRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000736792149 598617814 /nfs/dbraw/zinc/61/78/14/598617814.db2.gz KFNXBCIRPILSIB-UHFFFAOYSA-N 1 0 352.398 2.033 20 10 FECDRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000810214893 674537322 /nfs/dbraw/zinc/53/73/22/674537322.db2.gz KYWXHNFAWKTDPA-SFHVURJKSA-N 1 0 358.463 2.436 20 10 FECDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000826291596 608640120 /nfs/dbraw/zinc/64/01/20/608640120.db2.gz NDGRFSFSHJMDPP-UHFFFAOYSA-N 1 0 368.416 2.342 20 10 FECDRO COCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000813780544 674779892 /nfs/dbraw/zinc/77/98/92/674779892.db2.gz DSLNRGJRCKFSMJ-UHFFFAOYSA-N 1 0 352.450 2.195 20 10 FECDRO CCN(CCC[NH2+]Cc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000077290462 670562532 /nfs/dbraw/zinc/56/25/32/670562532.db2.gz YHMHGTQVLSFOPR-UHFFFAOYSA-N 1 0 353.532 2.438 20 10 FECDRO CC[C@H](CO)[NH+]1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093739796 670755006 /nfs/dbraw/zinc/75/50/06/670755006.db2.gz IWVWMGKXSGETTO-CQSZACIVSA-N 1 0 373.291 2.052 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCS[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000112643887 670874628 /nfs/dbraw/zinc/87/46/28/670874628.db2.gz QSCQTUCPGOTZEF-HOTGVXAUSA-N 1 0 363.527 2.170 20 10 FECDRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000125813195 672016974 /nfs/dbraw/zinc/01/69/74/672016974.db2.gz VJHJGECFOZVZPA-DNVCBOLYSA-N 1 0 352.450 2.102 20 10 FECDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000129585282 672064186 /nfs/dbraw/zinc/06/41/86/672064186.db2.gz VXONNKMVCJDTSM-KRWDZBQOSA-N 1 0 362.543 2.333 20 10 FECDRO O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130883212 672080739 /nfs/dbraw/zinc/08/07/39/672080739.db2.gz DXJVRTUHAKNUEH-KBPBESRZSA-N 1 0 353.413 2.373 20 10 FECDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000183068053 672459603 /nfs/dbraw/zinc/45/96/03/672459603.db2.gz CXDUMHPNSKMZSL-HUUCEWRRSA-N 1 0 351.466 2.303 20 10 FECDRO COc1cccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1O ZINC000185090968 672518030 /nfs/dbraw/zinc/51/80/30/672518030.db2.gz SCZPGZYQGRSMNA-UHFFFAOYSA-N 1 0 362.451 2.231 20 10 FECDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185195397 672522649 /nfs/dbraw/zinc/52/26/49/672522649.db2.gz VQFJPYVLLCJUIS-ZDUSSCGKSA-N 1 0 352.431 2.469 20 10 FECDRO CC(C)COC(=O)N1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000725774330 673090664 /nfs/dbraw/zinc/09/06/64/673090664.db2.gz AHPQJPZPYWUBEO-UHFFFAOYSA-N 1 0 350.415 2.421 20 10 FECDRO CCC[NH+](CCC)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000728082140 673192566 /nfs/dbraw/zinc/19/25/66/673192566.db2.gz OQPGOSXRGPFXJI-UHFFFAOYSA-N 1 0 371.503 2.006 20 10 FECDRO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000729532386 673238484 /nfs/dbraw/zinc/23/84/84/673238484.db2.gz YPUWGRLCOKKINN-CYBMUJFWSA-N 1 0 353.413 2.325 20 10 FECDRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000733325471 673409929 /nfs/dbraw/zinc/40/99/29/673409929.db2.gz NSAOEQFAHNRFLF-UHFFFAOYSA-N 1 0 354.859 2.385 20 10 FECDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000733329371 673410149 /nfs/dbraw/zinc/41/01/49/673410149.db2.gz RKNMOSXHYSJXQA-CQSZACIVSA-N 1 0 369.487 2.498 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CCCCS(C)(=O)=O)c1O ZINC000818224230 675205340 /nfs/dbraw/zinc/20/53/40/675205340.db2.gz IIHJXUOBOCABHU-UHFFFAOYSA-N 1 0 366.277 2.078 20 10 FECDRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964451 675247315 /nfs/dbraw/zinc/24/73/15/675247315.db2.gz WNORCOQQXHHNPP-KRWDZBQOSA-N 1 0 352.500 2.034 20 10 FECDRO CCS(=O)(=O)CC[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819003105 675251553 /nfs/dbraw/zinc/25/15/53/675251553.db2.gz SDJKWORXKAPFNC-UHFFFAOYSA-N 1 0 362.442 2.281 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819077680 675258531 /nfs/dbraw/zinc/25/85/31/675258531.db2.gz MSVLNNZJVCGWCZ-IBGZPJMESA-N 1 0 362.495 2.288 20 10 FECDRO COc1ccc(N2CC[C@@H](CNC(=O)C[N@H+](C)[C@H]3CCSC3)C2)cc1 ZINC000819586854 675302789 /nfs/dbraw/zinc/30/27/89/675302789.db2.gz VCCOGKHHTNKTPU-RDJZCZTQSA-N 1 0 363.527 2.075 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000824544135 675609596 /nfs/dbraw/zinc/60/95/96/675609596.db2.gz UOIVJLMZWVNDEQ-UHFFFAOYSA-N 1 0 350.260 2.467 20 10 FECDRO CC[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000824608785 675613347 /nfs/dbraw/zinc/61/33/47/675613347.db2.gz QPSZXLBWKNQXTK-JSGCOSHPSA-N 1 0 367.389 2.001 20 10 FECDRO COc1cc(O)c(CNCc2nn(C)cc2Br)cc1OC ZINC000824780114 675621936 /nfs/dbraw/zinc/62/19/36/675621936.db2.gz FFUDSGMKDDHJOE-UHFFFAOYSA-N 1 0 356.220 2.195 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1 ZINC000824896888 675627220 /nfs/dbraw/zinc/62/72/20/675627220.db2.gz GQVKRDIQVCWHLS-UHFFFAOYSA-N 1 0 354.516 2.216 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1F ZINC000824897119 675627432 /nfs/dbraw/zinc/62/74/32/675627432.db2.gz NREMKPOXEMJJFY-UHFFFAOYSA-N 1 0 372.506 2.355 20 10 FECDRO COCCOC1(C[NH2+]Cc2ccc(Br)cc2O)CCOCC1 ZINC000826036578 675679154 /nfs/dbraw/zinc/67/91/54/675679154.db2.gz MGQWWPMXECNMMW-UHFFFAOYSA-N 1 0 374.275 2.457 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](F)C3)cc2F)CC1 ZINC000838338688 680687606 /nfs/dbraw/zinc/68/76/06/680687606.db2.gz VZDOQUJIXBJCRC-OAHLLOKOSA-N 1 0 352.429 2.221 20 10 FECDRO C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)CC[N@@H+]1C ZINC000764791056 680821367 /nfs/dbraw/zinc/82/13/67/680821367.db2.gz MBHWPGUTHXKIIR-ZYHUDNBSSA-N 1 0 356.264 2.437 20 10 FECDRO COCCNC(=O)C1([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000840822685 680844774 /nfs/dbraw/zinc/84/47/74/680844774.db2.gz OCLMAMHVZWRAQG-JTQLQIEISA-N 1 0 357.248 2.101 20 10 FECDRO Cc1cc(O)c(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(Cl)c1 ZINC000840874451 680848552 /nfs/dbraw/zinc/84/85/52/680848552.db2.gz FXIUNVMZEZCUQN-UHFFFAOYSA-N 1 0 354.859 2.334 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000840954903 680856709 /nfs/dbraw/zinc/85/67/09/680856709.db2.gz MYBXXUQVFAAMSN-UHFFFAOYSA-N 1 0 351.516 2.061 20 10 FECDRO C[N@H+](CC(=O)NCc1cccc(Br)c1O)[C@H]1CCSC1 ZINC000765728367 680852831 /nfs/dbraw/zinc/85/28/31/680852831.db2.gz IWFVUTMNSWTVIY-NSHDSACASA-N 1 0 359.289 2.208 20 10 FECDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000765754075 680854164 /nfs/dbraw/zinc/85/41/64/680854164.db2.gz MBNGIMMYWSLPPL-CYBMUJFWSA-N 1 0 360.907 2.262 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc(Br)nn2C)cc1 ZINC000841043263 680860723 /nfs/dbraw/zinc/86/07/23/680860723.db2.gz QAHLKVDBFFZJSE-AWEZNQCLSA-N 1 0 352.280 2.038 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cncc(F)c1 ZINC000765979185 680862080 /nfs/dbraw/zinc/86/20/80/680862080.db2.gz JEURDDULJIIDII-CQSZACIVSA-N 1 0 363.458 2.306 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cncc(Br)c2)cc1 ZINC000832292421 680120715 /nfs/dbraw/zinc/12/07/15/680120715.db2.gz GXLYZDFBAROLQV-HNNXBMFYSA-N 1 0 363.259 2.340 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1O ZINC000750819623 680134637 /nfs/dbraw/zinc/13/46/37/680134637.db2.gz DCQIBOAAHDBLEF-QGZVFWFLSA-N 1 0 350.434 2.421 20 10 FECDRO O=S(=O)(NCC[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(F)cc1F ZINC000834789209 680267622 /nfs/dbraw/zinc/26/76/22/680267622.db2.gz ANNCOXHIYUOTER-AWEZNQCLSA-N 1 0 368.405 2.226 20 10 FECDRO COc1ccc(N2CCCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)cc1 ZINC000758002317 680549503 /nfs/dbraw/zinc/54/95/03/680549503.db2.gz GESOMFNVHJMVLM-KRWDZBQOSA-N 1 0 363.527 2.171 20 10 FECDRO COc1cc(N2CC[NH+](C[C@H]3CCCOC3)CC2)cc(OC)c1OC ZINC000759887233 680671167 /nfs/dbraw/zinc/67/11/67/680671167.db2.gz TVAQWUHYFFGHKJ-OAHLLOKOSA-N 1 0 350.459 2.261 20 10 FECDRO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843624 680914481 /nfs/dbraw/zinc/91/44/81/680914481.db2.gz KSYXTVFAFCQRRF-QWHCGFSZSA-N 1 0 356.417 2.293 20 10 FECDRO COc1cc(Br)cc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1O ZINC000841892039 680916823 /nfs/dbraw/zinc/91/68/23/680916823.db2.gz SAFFZOWGEXJDAH-VXGBXAGGSA-N 1 0 373.291 2.050 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(C(=O)NCC(C)C)CC2)cc1OC ZINC000768441787 680946992 /nfs/dbraw/zinc/94/69/92/680946992.db2.gz NEMPPVGMWURMFR-UHFFFAOYSA-N 1 0 350.459 2.394 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(F)cc1F ZINC000842784257 680966136 /nfs/dbraw/zinc/96/61/36/680966136.db2.gz HWEFMRJQDRJLLZ-MRXNPFEDSA-N 1 0 369.437 2.318 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000842785813 680966469 /nfs/dbraw/zinc/96/64/69/680966469.db2.gz KYRJARKCQXWKIX-LJQANCHMSA-N 1 0 359.495 2.220 20 10 FECDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@H]2c2nccn2C)c1O ZINC000843122788 680989007 /nfs/dbraw/zinc/98/90/07/680989007.db2.gz UXGFGDYZLZWUHB-AWEZNQCLSA-N 1 0 365.275 2.343 20 10 FECDRO Cc1noc(C)c1CSCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296822 680996469 /nfs/dbraw/zinc/99/64/69/680996469.db2.gz GVCZHFHGMNKXNV-KRWDZBQOSA-N 1 0 362.499 2.407 20 10 FECDRO Fc1cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)ccc1N1CCOCC1 ZINC000773417491 681140976 /nfs/dbraw/zinc/14/09/76/681140976.db2.gz RDYRHLDYYSYVJH-INIZCTEOSA-N 1 0 350.434 2.438 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c1O ZINC000846141445 681188870 /nfs/dbraw/zinc/18/88/70/681188870.db2.gz IZIHVJHUGNTGMH-CQSZACIVSA-N 1 0 364.467 2.338 20 10 FECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000847696157 681418175 /nfs/dbraw/zinc/41/81/75/681418175.db2.gz MIHLPZWJPCGVEI-CZUORRHYSA-N 1 0 364.511 2.363 20 10 FECDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000777219273 681473071 /nfs/dbraw/zinc/47/30/71/681473071.db2.gz IVMXEHMEYXAFEW-HUUCEWRRSA-N 1 0 374.275 2.373 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1O ZINC000848529466 681571951 /nfs/dbraw/zinc/57/19/51/681571951.db2.gz NWXDCUISQOHSPD-RNCFNFMXSA-N 1 0 370.247 2.281 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1O ZINC000848553279 681576823 /nfs/dbraw/zinc/57/68/23/681576823.db2.gz SIFHXVWKRRZZNA-ATZCPNFKSA-N 1 0 357.248 2.468 20 10 FECDRO CSCC(C)(C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000934676784 681610813 /nfs/dbraw/zinc/61/08/13/681610813.db2.gz YUYCIVJYHHJMIL-UHFFFAOYSA-N 1 0 369.506 2.010 20 10 FECDRO CNC(=O)C1([NH2+]Cc2cc(Br)cc(OC)c2O)CCCC1 ZINC000779173245 681686279 /nfs/dbraw/zinc/68/62/79/681686279.db2.gz DDAYLPYSTVPEHF-UHFFFAOYSA-N 1 0 357.248 2.312 20 10 FECDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2ncc(Cl)s2)C1 ZINC000849998204 681837208 /nfs/dbraw/zinc/83/72/08/681837208.db2.gz LEYAHJBHIANBBG-LLVKDONJSA-N 1 0 363.936 2.362 20 10 FECDRO COc1cc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850093827 681849811 /nfs/dbraw/zinc/84/98/11/681849811.db2.gz KDHPILUPGWSZMN-CQSZACIVSA-N 1 0 370.515 2.212 20 10 FECDRO COc1cc(C[NH2+]CCCN2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850120941 681853651 /nfs/dbraw/zinc/85/36/51/681853651.db2.gz KSHOHOOHEQSERS-UHFFFAOYSA-N 1 0 370.515 2.214 20 10 FECDRO CCc1ccc(CS(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000850585864 681918541 /nfs/dbraw/zinc/91/85/41/681918541.db2.gz CJPRUBMHCNLRAD-IBGZPJMESA-N 1 0 361.511 2.434 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CCc2ccc(F)cc2)cc1 ZINC000850586621 681919363 /nfs/dbraw/zinc/91/93/63/681919363.db2.gz ZSEVQEWNSBTHHB-SFHVURJKSA-N 1 0 365.474 2.054 20 10 FECDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC000781914741 681988759 /nfs/dbraw/zinc/98/87/59/681988759.db2.gz ZIUNSFTWAKGHKR-AWEZNQCLSA-N 1 0 357.292 2.352 20 10 FECDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000788622736 682543501 /nfs/dbraw/zinc/54/35/01/682543501.db2.gz HMGXGOXSXGKGFP-DEYYWGMASA-N 1 0 354.878 2.367 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000796513951 683167371 /nfs/dbraw/zinc/16/73/71/683167371.db2.gz QNHXDFGGIFJDOF-SFHVURJKSA-N 1 0 353.532 2.437 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000926943301 683187499 /nfs/dbraw/zinc/18/74/99/683187499.db2.gz BZFHZRVIAOIULD-RGPZOAQRSA-N 1 0 350.434 2.117 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)c1O ZINC000926975914 683192703 /nfs/dbraw/zinc/19/27/03/683192703.db2.gz BHFFHSOUICCZDV-ZJUUUORDSA-N 1 0 357.248 2.340 20 10 FECDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862364641 683577282 /nfs/dbraw/zinc/57/72/82/683577282.db2.gz FSNFHMAKJASFQC-CHWSQXEVSA-N 1 0 355.276 2.450 20 10 FECDRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921799258 683578319 /nfs/dbraw/zinc/57/83/19/683578319.db2.gz FTZAPPDCIKWIGJ-WBVHZDCISA-N 1 0 352.500 2.161 20 10 FECDRO OCc1cn([C@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)nn1 ZINC000862377658 683580305 /nfs/dbraw/zinc/58/03/05/683580305.db2.gz KBJLGLRHCMFUIB-LBPRGKRZSA-N 1 0 367.247 2.076 20 10 FECDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000862475236 683594848 /nfs/dbraw/zinc/59/48/48/683594848.db2.gz DIQJDUJAKMOMRQ-LJQANCHMSA-N 1 0 351.443 2.462 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)cc1 ZINC000862551624 683600250 /nfs/dbraw/zinc/60/02/50/683600250.db2.gz OXYIRVIIMOZXOQ-KRWDZBQOSA-N 1 0 353.532 2.294 20 10 FECDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000863646891 683756411 /nfs/dbraw/zinc/75/64/11/683756411.db2.gz RBQMYAYNGPPHPF-RDJZCZTQSA-N 1 0 357.420 2.482 20 10 FECDRO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(Br)ccc1O ZINC000866571437 684120971 /nfs/dbraw/zinc/12/09/71/684120971.db2.gz XVBATJAANZVFRE-VIFPVBQESA-N 1 0 365.293 2.120 20 10 FECDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925054835 684520836 /nfs/dbraw/zinc/52/08/36/684520836.db2.gz JKPQZMDWGOHLNF-INIZCTEOSA-N 1 0 359.495 2.037 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925167326 684534233 /nfs/dbraw/zinc/53/42/33/684534233.db2.gz PPAWBXOXVATQRR-KBPBESRZSA-N 1 0 355.891 2.425 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925409376 684560257 /nfs/dbraw/zinc/56/02/57/684560257.db2.gz FMIGRPGYDPYUEO-CYBMUJFWSA-N 1 0 356.264 2.390 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1 ZINC000877532053 686403278 /nfs/dbraw/zinc/40/32/78/686403278.db2.gz CIULTEWSAJLVKY-GFCCVEGCSA-N 1 0 356.488 2.302 20 10 FECDRO COc1ccc(O)c(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c1 ZINC000877719604 686444954 /nfs/dbraw/zinc/44/49/54/686444954.db2.gz DYGYZRMXMYFUTD-UHFFFAOYSA-N 1 0 350.459 2.297 20 10 FECDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000877725835 686445742 /nfs/dbraw/zinc/44/57/42/686445742.db2.gz OZQGNDGOUQKABZ-IUODEOHRSA-N 1 0 360.376 2.439 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)c3csc4cncn43)cc2)CC1 ZINC000881851603 687234161 /nfs/dbraw/zinc/23/41/61/687234161.db2.gz XKGJVTACKJRNKD-UHFFFAOYSA-N 1 0 355.467 2.078 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CSCCS3)cc2)CC1 ZINC000881852552 687234360 /nfs/dbraw/zinc/23/43/60/687234360.db2.gz VLHMHBKHTPYDAA-QGZVFWFLSA-N 1 0 365.568 2.293 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1O ZINC000883403503 687622714 /nfs/dbraw/zinc/62/27/14/687622714.db2.gz VEHFQVZRVVTXMA-ZDUSSCGKSA-N 1 0 369.259 2.264 20 10 FECDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C[C@@H]1O ZINC000886247078 688219272 /nfs/dbraw/zinc/21/92/72/688219272.db2.gz GUHABDUFOHGUMO-FFGGFLGDSA-N 1 0 369.303 2.413 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)CCn2cc(Cl)cn2)[NH+](C)C)cc1 ZINC000891251271 689040016 /nfs/dbraw/zinc/04/00/16/689040016.db2.gz BKGNJQFOGVPGGP-KRWDZBQOSA-N 1 0 363.893 2.412 20 10 FECDRO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1OC ZINC000892113082 689152139 /nfs/dbraw/zinc/15/21/39/689152139.db2.gz VSMYQKITFHZZBG-DZGCQCFKSA-N 1 0 357.472 2.197 20 10 FECDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(Cl)c3O)C2)CC1 ZINC000893023444 689282398 /nfs/dbraw/zinc/28/23/98/689282398.db2.gz QWHAJXUVHFEACD-CQSZACIVSA-N 1 0 366.893 2.013 20 10 FECDRO COc1ccc(C[NH2+]CCn2cc(Br)cn2)c(O)c1OC ZINC000894426280 689529728 /nfs/dbraw/zinc/52/97/28/689529728.db2.gz JSIRMFWDRXBGQR-UHFFFAOYSA-N 1 0 356.220 2.158 20 10 FECDRO COc1cc(C)cc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000894873992 689612202 /nfs/dbraw/zinc/61/22/02/689612202.db2.gz LCXXRXZCQKAREM-CQSZACIVSA-N 1 0 354.447 2.027 20 10 FECDRO COc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c(O)c1OC ZINC000895231138 689680900 /nfs/dbraw/zinc/68/09/00/689680900.db2.gz WHOCHXPSGGQROW-INIZCTEOSA-N 1 0 350.459 2.096 20 10 FECDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(OC)c(OC)cc1O)C(F)(F)F ZINC000895710850 689758630 /nfs/dbraw/zinc/75/86/30/689758630.db2.gz NWQRHLYVCQBYMR-NFAHFFEMSA-N 1 0 365.348 2.343 20 10 FECDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000896684138 689916275 /nfs/dbraw/zinc/91/62/75/689916275.db2.gz PEYHOIWPKSUCLC-LBPRGKRZSA-N 1 0 362.451 2.107 20 10 FECDRO CN(C)c1ccc([C@H](CNc2ccccc2S(N)(=O)=O)[NH+](C)C)cc1 ZINC000897521116 690033664 /nfs/dbraw/zinc/03/36/64/690033664.db2.gz CRVWZDDNYAGCSX-KRWDZBQOSA-N 1 0 362.499 2.115 20 10 FECDRO CCC[C@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098513 690303183 /nfs/dbraw/zinc/30/31/83/690303183.db2.gz PFFPHYZCRUGOCU-AEFFLSMTSA-N 1 0 350.507 2.206 20 10 FECDRO C[C@H](CC(C)(C)O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099251 690303786 /nfs/dbraw/zinc/30/37/86/690303786.db2.gz XOVXKNQOFGINMA-PBHICJAKSA-N 1 0 350.507 2.204 20 10 FECDRO CCOCCCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899723955 690413484 /nfs/dbraw/zinc/41/34/84/690413484.db2.gz HRRIRKWGNXEJAK-KRWDZBQOSA-N 1 0 352.548 2.246 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCOC34CCCC4)cc2)CC1 ZINC000903096352 690843982 /nfs/dbraw/zinc/84/39/82/690843982.db2.gz BSFGPXDBNGHUGX-GOSISDBHSA-N 1 0 364.511 2.113 20 10 FECDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000800309885 674040430 /nfs/dbraw/zinc/04/04/30/674040430.db2.gz OUCFEQOWLXQDCN-MJGOQNOKSA-N 1 0 365.543 2.484 20 10 FECDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1OC ZINC000800310191 674040568 /nfs/dbraw/zinc/04/05/68/674040568.db2.gz YAKWTDWCXJKKLU-DOTOQJQBSA-N 1 0 370.515 2.039 20 10 FECDRO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000824451148 675603670 /nfs/dbraw/zinc/60/36/70/675603670.db2.gz JZKWMRRPOFPVCU-NSHDSACASA-N 1 0 355.232 2.429 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000359958536 533543495 /nfs/dbraw/zinc/54/34/95/533543495.db2.gz KGTFPYFJGZQRQS-XLIONFOSSA-N 1 0 373.541 2.328 20 10 FECDRO COc1ccc(N2CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC2)cc1F ZINC000084891980 542721563 /nfs/dbraw/zinc/72/15/63/542721563.db2.gz LFDZHEKXMMFUCQ-CQSZACIVSA-N 1 0 352.454 2.006 20 10 FECDRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000090102487 542782730 /nfs/dbraw/zinc/78/27/30/542782730.db2.gz CQYZRRNXJJXZMS-INIZCTEOSA-N 1 0 354.516 2.389 20 10 FECDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000802653330 674190300 /nfs/dbraw/zinc/19/03/00/674190300.db2.gz RLAOLQBBAWZYMV-QGZVFWFLSA-N 1 0 352.450 2.290 20 10 FECDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000802660124 674190699 /nfs/dbraw/zinc/19/06/99/674190699.db2.gz BTLBNINSBFCQCE-CYBMUJFWSA-N 1 0 352.431 2.378 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000118532545 543653047 /nfs/dbraw/zinc/65/30/47/543653047.db2.gz AOEXGVWNXKVUFH-INIZCTEOSA-N 1 0 371.403 2.118 20 10 FECDRO CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CC1 ZINC000126588071 543945323 /nfs/dbraw/zinc/94/53/23/543945323.db2.gz RNFXETZLKJTLID-UHFFFAOYSA-N 1 0 364.465 2.150 20 10 FECDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n(C)n1 ZINC000134261754 544300683 /nfs/dbraw/zinc/30/06/83/544300683.db2.gz RJTAOMHZLXCBKF-HNNXBMFYSA-N 1 0 362.861 2.482 20 10 FECDRO COCCN1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000154886921 544962682 /nfs/dbraw/zinc/96/26/82/544962682.db2.gz YFCVBOFPOVVPHV-MRXNPFEDSA-N 1 0 365.493 2.424 20 10 FECDRO COc1cc(CN(C)CC(=O)NCc2ccc(N(C)C)cc2)ccc1O ZINC000156890008 545673335 /nfs/dbraw/zinc/67/33/35/545673335.db2.gz JBNVCRAGOOBGRH-UHFFFAOYSA-N 1 0 357.454 2.215 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1OC ZINC000160234672 546020684 /nfs/dbraw/zinc/02/06/84/546020684.db2.gz RJRGOTUJVSJFDX-CQSZACIVSA-N 1 0 350.459 2.095 20 10 FECDRO CCc1nsc(N2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000173557280 546282948 /nfs/dbraw/zinc/28/29/48/546282948.db2.gz IXYGMXDADRJROD-UHFFFAOYSA-N 1 0 362.455 2.247 20 10 FECDRO Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)n1-c1ccccn1 ZINC000178115237 546742099 /nfs/dbraw/zinc/74/20/99/546742099.db2.gz NEMLMBRMMWAEAQ-SFHVURJKSA-N 1 0 368.481 2.283 20 10 FECDRO C[C@]([NH3+])(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000178739314 546841228 /nfs/dbraw/zinc/84/12/28/546841228.db2.gz YOLYODWILBKJIQ-HXUWFJFHSA-N 1 0 357.429 2.153 20 10 FECDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000180946073 547217315 /nfs/dbraw/zinc/21/73/15/547217315.db2.gz CKNWNFHTDOTJRV-DUXPYHPUSA-N 1 0 353.422 2.287 20 10 FECDRO C[NH+](C)CCOc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181028343 547233875 /nfs/dbraw/zinc/23/38/75/547233875.db2.gz SQIRYQQBMUKANF-VQHVLOKHSA-N 1 0 356.422 2.368 20 10 FECDRO Cc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1O ZINC000182204042 547452727 /nfs/dbraw/zinc/45/27/27/547452727.db2.gz CUNBGRCDULFMMR-UHFFFAOYSA-N 1 0 366.405 2.352 20 10 FECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4nnn(C)c4c3)c2)CC1 ZINC000184276114 547799184 /nfs/dbraw/zinc/79/91/84/547799184.db2.gz PVCGCDQGVKGFNB-UHFFFAOYSA-N 1 0 364.453 2.363 20 10 FECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000186158597 548092783 /nfs/dbraw/zinc/09/27/83/548092783.db2.gz ZULCQQFUVNGTKC-OLZOCXBDSA-N 1 0 355.481 2.248 20 10 FECDRO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000186935785 548223918 /nfs/dbraw/zinc/22/39/18/548223918.db2.gz XSRJSTXFQDTSMB-INIZCTEOSA-N 1 0 370.497 2.406 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cncs3)cc2F)CC1 ZINC000188582892 548282628 /nfs/dbraw/zinc/28/26/28/548282628.db2.gz DGZGPXZWJCISBV-UHFFFAOYSA-N 1 0 362.474 2.283 20 10 FECDRO COc1cc(N2CC[NH+](C[C@@H]3CC[C@H](C)O3)CC2)cc(OC)c1OC ZINC000191106068 548340193 /nfs/dbraw/zinc/34/01/93/548340193.db2.gz GZLOBXYHGLXVAM-HOCLYGCPSA-N 1 0 350.459 2.402 20 10 FECDRO COc1ccc(N2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)cc1F ZINC000237268073 548813812 /nfs/dbraw/zinc/81/38/12/548813812.db2.gz AWYXJSORXLPVCU-GOSISDBHSA-N 1 0 357.429 2.053 20 10 FECDRO COc1ccc(N2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)cc1F ZINC000237266838 548814013 /nfs/dbraw/zinc/81/40/13/548814013.db2.gz QXROZOCITOUTHM-KRWDZBQOSA-N 1 0 357.429 2.225 20 10 FECDRO [NH3+]C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000238031565 548873712 /nfs/dbraw/zinc/87/37/12/548873712.db2.gz YLMOHLBQHXLMDQ-QGZVFWFLSA-N 1 0 357.429 2.021 20 10 FECDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1ccc(N)cc1 ZINC000262625274 549833063 /nfs/dbraw/zinc/83/30/63/549833063.db2.gz BEUCYHYRDUEKJH-QGZVFWFLSA-N 1 0 352.482 2.138 20 10 FECDRO CNC(=O)CN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263654515 549914115 /nfs/dbraw/zinc/91/41/15/549914115.db2.gz FGKBNCLRZKMGLI-UHFFFAOYSA-N 1 0 353.466 2.359 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264583441 549998217 /nfs/dbraw/zinc/99/82/17/549998217.db2.gz KDZCQKNDMFHSJX-HXUWFJFHSA-N 1 0 372.513 2.293 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC3(CCOCC3)C1)cc2=O ZINC000266044729 550016178 /nfs/dbraw/zinc/01/61/78/550016178.db2.gz XHZJTUBQQHVACX-UHFFFAOYSA-N 1 0 374.441 2.004 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000268789597 550116456 /nfs/dbraw/zinc/11/64/56/550116456.db2.gz BLDSBADOHBEUDO-LVCYWYKZSA-N 1 0 360.546 2.136 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCO[C@@H](C)C3)cc2F)CC1 ZINC000271986395 550414632 /nfs/dbraw/zinc/41/46/32/550414632.db2.gz PIYLDBQELVYCQP-DOTOQJQBSA-N 1 0 363.477 2.399 20 10 FECDRO C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272974713 550479190 /nfs/dbraw/zinc/47/91/90/550479190.db2.gz OSDFFBPLYOKSGQ-QGZVFWFLSA-N 1 0 372.513 2.315 20 10 FECDRO O=C(NCc1cccc(Br)c1O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000277276960 550650949 /nfs/dbraw/zinc/65/09/49/550650949.db2.gz AOFWFYPSRROVDR-LLVKDONJSA-N 1 0 368.275 2.438 20 10 FECDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000278498019 550792469 /nfs/dbraw/zinc/79/24/69/550792469.db2.gz QGAOUMOLRURIJT-MRXNPFEDSA-N 1 0 363.477 2.178 20 10 FECDRO Cn1cc([C@@H]2C[N@H+](Cc3cc(Br)ccc3O)C[C@H]2CO)cn1 ZINC000278721474 550814961 /nfs/dbraw/zinc/81/49/61/550814961.db2.gz PTJTXNVVWGJWHF-ZFWWWQNUSA-N 1 0 366.259 2.096 20 10 FECDRO CC[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N(C)C)cc1 ZINC000280946021 551048379 /nfs/dbraw/zinc/04/83/79/551048379.db2.gz JEVWZLDZGXKZGT-KBXCAEBGSA-N 1 0 355.486 2.351 20 10 FECDRO C[N@@H+]1CCN(CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000281961749 551162918 /nfs/dbraw/zinc/16/29/18/551162918.db2.gz VDSXKMDSRUKVGM-UHFFFAOYSA-N 1 0 373.545 2.112 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC3(CC(OCC)C3)C1)cc2=O ZINC000285367880 551744626 /nfs/dbraw/zinc/74/46/26/551744626.db2.gz BVFCAHPRXXBPTO-UHFFFAOYSA-N 1 0 374.441 2.003 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286868378 551934884 /nfs/dbraw/zinc/93/48/84/551934884.db2.gz BNVOHVMAYRXURA-HUUCEWRRSA-N 1 0 370.490 2.138 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289227766 552285786 /nfs/dbraw/zinc/28/57/86/552285786.db2.gz LSSZHMDUAJVFCN-HXRGIAOBSA-N 1 0 355.482 2.139 20 10 FECDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C2)C1 ZINC000292327371 552716189 /nfs/dbraw/zinc/71/61/89/552716189.db2.gz UAIPLXDREGGKFC-HXRGIAOBSA-N 1 0 355.482 2.091 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1C[C@H](OCC)C13CCC3)cc2=O ZINC000295846793 553067455 /nfs/dbraw/zinc/06/74/55/553067455.db2.gz DFWZOCNVLSEVLJ-CABCVRRESA-N 1 0 374.441 2.049 20 10 FECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000296622589 553188998 /nfs/dbraw/zinc/18/89/98/553188998.db2.gz WZNZSDGIQLUBFZ-KOLCDFICSA-N 1 0 365.293 2.133 20 10 FECDRO C[NH+]1CCC([C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)CC1 ZINC000361191454 554909290 /nfs/dbraw/zinc/90/92/90/554909290.db2.gz ODOFFBPNYOCOHM-CYBMUJFWSA-N 1 0 360.414 2.094 20 10 FECDRO Cc1cnn(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000363002872 555007305 /nfs/dbraw/zinc/00/73/05/555007305.db2.gz BIVLVCSMVSRISA-UHFFFAOYSA-N 1 0 355.486 2.211 20 10 FECDRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCCN2C)cn1 ZINC000363177512 555046342 /nfs/dbraw/zinc/04/63/42/555046342.db2.gz VHUMSXXZVXUVAX-ORAYPTAESA-N 1 0 358.442 2.027 20 10 FECDRO [NH2+]=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCOCC1 ZINC000363387158 555092518 /nfs/dbraw/zinc/09/25/18/555092518.db2.gz AEMKBGZBNOHECA-CYBMUJFWSA-N 1 0 372.391 2.268 20 10 FECDRO C[C@@H](NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)[C@H](C)N1CCOCC1 ZINC000364942234 555445149 /nfs/dbraw/zinc/44/51/49/555445149.db2.gz FJRPJDAZDRGAKU-SJORKVTESA-N 1 0 372.513 2.270 20 10 FECDRO COc1ccc(N2CCC([NH2+]CC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000367563300 556083835 /nfs/dbraw/zinc/08/38/35/556083835.db2.gz LDXLONHSJODKMM-UHFFFAOYSA-N 1 0 352.500 2.078 20 10 FECDRO O=C1[C@H]2C[N@H+](Cc3cc(F)ccc3O)CCN2C(=O)N1c1ccccc1 ZINC000367818400 556146967 /nfs/dbraw/zinc/14/69/67/556146967.db2.gz HOZGFVAHKWGTIJ-MRXNPFEDSA-N 1 0 355.369 2.184 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000369882115 556720273 /nfs/dbraw/zinc/72/02/73/556720273.db2.gz FRRPXPAKPABGGZ-CQSZACIVSA-N 1 0 362.470 2.469 20 10 FECDRO COc1ccc(N2CCC(N(C)C(=O)[C@@H]([NH3+])CCSC)CC2)cc1 ZINC000370768314 556962592 /nfs/dbraw/zinc/96/25/92/556962592.db2.gz ZMBBNAMAIQQQFH-KRWDZBQOSA-N 1 0 351.516 2.203 20 10 FECDRO CN(C)c1ccc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)cc1F ZINC000371084960 557070128 /nfs/dbraw/zinc/07/01/28/557070128.db2.gz IATROFZDGPBQHG-UHFFFAOYSA-N 1 0 369.506 2.328 20 10 FECDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)cc1F ZINC000371413087 557177792 /nfs/dbraw/zinc/17/77/92/557177792.db2.gz MTYBRKFBBBJWNU-UHFFFAOYSA-N 1 0 359.449 2.020 20 10 FECDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000372404351 557462168 /nfs/dbraw/zinc/46/21/68/557462168.db2.gz LHNFPYWZTRCPSW-GOSISDBHSA-N 1 0 351.516 2.191 20 10 FECDRO Cc1nccc(CN2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCN4C)C2=O)n1 ZINC000373372189 557681332 /nfs/dbraw/zinc/68/13/32/557681332.db2.gz ZYXCNRYCMJHHIK-IBGZPJMESA-N 1 0 365.481 2.058 20 10 FECDRO COc1c([O-])c(C[NH+]2CCC(OC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000373907994 557784366 /nfs/dbraw/zinc/78/43/66/557784366.db2.gz SJOZHAXGGSBVFR-UHFFFAOYSA-N 1 0 366.414 2.469 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000374632814 557909598 /nfs/dbraw/zinc/90/95/98/557909598.db2.gz SPOWEJRLZVISMF-LJQANCHMSA-N 1 0 359.514 2.460 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377708713 558402436 /nfs/dbraw/zinc/40/24/36/558402436.db2.gz XQMYSFWIUKITSW-CVEARBPZSA-N 1 0 364.442 2.270 20 10 FECDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378406288 558549409 /nfs/dbraw/zinc/54/94/09/558549409.db2.gz UTPSJWRAWRZQON-BFIPOCKSSA-N 1 0 361.461 2.322 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)c1ccccc1O ZINC000378626188 558596466 /nfs/dbraw/zinc/59/64/66/558596466.db2.gz RRZFVQOVEQVOHZ-HUUCEWRRSA-N 1 0 352.442 2.397 20 10 FECDRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O ZINC000527957078 562309535 /nfs/dbraw/zinc/30/95/35/562309535.db2.gz RSLSQSJXQFIKNJ-ACJLOTCBSA-N 1 0 354.878 2.312 20 10 FECDRO Cc1ccc(O)c(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000737363842 598837420 /nfs/dbraw/zinc/83/74/20/598837420.db2.gz FIXJBSOQIIDTCA-UHFFFAOYSA-N 1 0 365.441 2.034 20 10 FECDRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1O ZINC000735560210 598617834 /nfs/dbraw/zinc/61/78/34/598617834.db2.gz BPRYUQHIKWBPHL-LBPRGKRZSA-N 1 0 352.398 2.031 20 10 FECDRO Oc1ccccc1C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@@H]1CCCO1 ZINC000826511382 607520487 /nfs/dbraw/zinc/52/04/87/607520487.db2.gz NDEOCGHJUOVAAU-INIZCTEOSA-N 1 0 366.425 2.149 20 10 FECDRO CCOc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c(O)c1 ZINC000825638902 607567227 /nfs/dbraw/zinc/56/72/27/607567227.db2.gz QTRUNUOKPTZCCS-UHFFFAOYSA-N 1 0 355.398 2.269 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCSC)cc2F)CC1 ZINC000106555126 670812452 /nfs/dbraw/zinc/81/24/52/670812452.db2.gz LNSSURZKRJEVFW-UHFFFAOYSA-N 1 0 354.495 2.130 20 10 FECDRO COC(=O)C[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267396 672121541 /nfs/dbraw/zinc/12/15/41/672121541.db2.gz FERGQRHNZXLYAT-SWLSCSKDSA-N 1 0 368.861 2.325 20 10 FECDRO Oc1ccc(Br)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000139743398 672147340 /nfs/dbraw/zinc/14/73/40/672147340.db2.gz LYOQBDGKVRWBJV-HNNXBMFYSA-N 1 0 355.276 2.451 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000182358053 672443557 /nfs/dbraw/zinc/44/35/57/672443557.db2.gz IIRVFIKHLAJEGU-ZDUSSCGKSA-N 1 0 360.435 2.397 20 10 FECDRO NC(=O)COc1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000731451373 673331343 /nfs/dbraw/zinc/33/13/43/673331343.db2.gz VJWUUPADCUUGRO-UHFFFAOYSA-N 1 0 365.227 2.309 20 10 FECDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000734846870 673474312 /nfs/dbraw/zinc/47/43/12/673474312.db2.gz SXGSGWDDNSIPTN-GOSISDBHSA-N 1 0 351.447 2.462 20 10 FECDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819122133 675262345 /nfs/dbraw/zinc/26/23/45/675262345.db2.gz RCDAZPQLYZPNJE-QGZVFWFLSA-N 1 0 354.466 2.052 20 10 FECDRO C[C@@H]1CCCN(c2ccc(C[NH2+]CCC(=O)NC(N)=O)cc2Cl)C1 ZINC000819291227 675277806 /nfs/dbraw/zinc/27/78/06/675277806.db2.gz SCQZFNBIZWHQRU-GFCCVEGCSA-N 1 0 352.866 2.251 20 10 FECDRO C[C@](O)(C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000819358579 675284909 /nfs/dbraw/zinc/28/49/09/675284909.db2.gz LNIMTDRGBOUGPI-AWEZNQCLSA-N 1 0 354.319 2.204 20 10 FECDRO COc1cc(N2CC[NH+](C[C@H](OC)C3CC3)CC2)cc(OC)c1OC ZINC000822852478 675511371 /nfs/dbraw/zinc/51/13/71/675511371.db2.gz UAYODAGXZQIXJD-SFHVURJKSA-N 1 0 350.459 2.259 20 10 FECDRO COc1cc(Br)cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1O ZINC000825130488 675638276 /nfs/dbraw/zinc/63/82/76/675638276.db2.gz YWBYGDXRJCEXIK-ZWNOBZJWSA-N 1 0 360.248 2.135 20 10 FECDRO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H](O)C1CCC1 ZINC000827311296 675747228 /nfs/dbraw/zinc/74/72/28/675747228.db2.gz XYJOOEGVKZQGKJ-WBVHZDCISA-N 1 0 352.862 2.287 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000828619356 675834047 /nfs/dbraw/zinc/83/40/47/675834047.db2.gz GEEDWBCWWGHWHD-QGZVFWFLSA-N 1 0 351.516 2.238 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]C(C)(C)CS(C)(=O)=O)c1O ZINC000762787264 680761446 /nfs/dbraw/zinc/76/14/46/680761446.db2.gz PFFMEQXRSIMVQB-UHFFFAOYSA-N 1 0 350.278 2.376 20 10 FECDRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000839564711 680762043 /nfs/dbraw/zinc/76/20/43/680762043.db2.gz XPJRWAAUWMESNY-AWEZNQCLSA-N 1 0 370.515 2.160 20 10 FECDRO Cc1cn(C)nc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000839708155 680773543 /nfs/dbraw/zinc/77/35/43/680773543.db2.gz KLGFUXUZWFCFAO-OAHLLOKOSA-N 1 0 362.861 2.482 20 10 FECDRO Cc1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cn1 ZINC000764892036 680823574 /nfs/dbraw/zinc/82/35/74/680823574.db2.gz QUUFSFSMZHWPTH-RVDMUPIBSA-N 1 0 363.508 2.314 20 10 FECDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764584587 680815799 /nfs/dbraw/zinc/81/57/99/680815799.db2.gz PWORJPFHXPLNEZ-ZDUSSCGKSA-N 1 0 351.878 2.353 20 10 FECDRO O=C(NCCC[NH+]1CCCC1)NCc1cccc(Br)c1O ZINC000765453497 680842828 /nfs/dbraw/zinc/84/28/28/680842828.db2.gz LHRJLHAMWMDUAY-UHFFFAOYSA-N 1 0 356.264 2.440 20 10 FECDRO Cc1cc(O)c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(Cl)c1 ZINC000840951873 680856603 /nfs/dbraw/zinc/85/66/03/680856603.db2.gz KUKGXMKORNPAHD-CQSZACIVSA-N 1 0 351.878 2.140 20 10 FECDRO COc1cc(Cl)cc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1O ZINC000840953773 680856694 /nfs/dbraw/zinc/85/66/94/680856694.db2.gz AEVAAXAVIYSFQN-UHFFFAOYSA-N 1 0 374.890 2.054 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000840936931 680854949 /nfs/dbraw/zinc/85/49/49/680854949.db2.gz NQVGSNSYQRPLDN-INIZCTEOSA-N 1 0 368.524 2.047 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(Cl)c1 ZINC000840946637 680855696 /nfs/dbraw/zinc/85/56/96/680855696.db2.gz DASVZFGMALVSSD-GTNSWQLSSA-N 1 0 351.834 2.307 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000840948104 680855899 /nfs/dbraw/zinc/85/58/99/680855899.db2.gz MXNDRVXXKGGLKK-FUHWJXTLSA-N 1 0 353.532 2.259 20 10 FECDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(Cl)c1 ZINC000840948058 680855922 /nfs/dbraw/zinc/85/59/22/680855922.db2.gz KSOPQMGNXWTTNS-CYBMUJFWSA-N 1 0 360.907 2.457 20 10 FECDRO C[NH+]1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])(N2CCOCC2)CC1 ZINC000840955809 680857092 /nfs/dbraw/zinc/85/70/92/680857092.db2.gz XGRPTZLANJSTNI-UHFFFAOYSA-N 1 0 371.884 2.071 20 10 FECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840976434 680858307 /nfs/dbraw/zinc/85/83/07/680858307.db2.gz FMZNSCDZPAVAID-OAHLLOKOSA-N 1 0 368.474 2.000 20 10 FECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000840975817 680858345 /nfs/dbraw/zinc/85/83/45/680858345.db2.gz AMNZBIGMIZEWPM-NSHDSACASA-N 1 0 360.273 2.493 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000831173871 679940731 /nfs/dbraw/zinc/94/07/31/679940731.db2.gz SXXAKFFNPFQAGL-KRWDZBQOSA-N 1 0 360.527 2.181 20 10 FECDRO CN1CCCc2cc(CNC(=O)NC[C@]3([NH+](C)C)CCSC3)ccc21 ZINC000748625789 679981018 /nfs/dbraw/zinc/98/10/18/679981018.db2.gz VDNZWRVVXSSPKA-LJQANCHMSA-N 1 0 362.543 2.306 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccncc2Br)cc1 ZINC000832266442 680118819 /nfs/dbraw/zinc/11/88/19/680118819.db2.gz GCYNUNHYCODBAA-HNNXBMFYSA-N 1 0 363.259 2.340 20 10 FECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000835054150 680291369 /nfs/dbraw/zinc/29/13/69/680291369.db2.gz NRKZFOATXVEOJH-NAASZUNDSA-N 1 0 363.527 2.266 20 10 FECDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCCS3(=O)=O)CC2)cc1 ZINC000753568276 680304513 /nfs/dbraw/zinc/30/45/13/680304513.db2.gz MNKQKHVSBGWXND-GOSISDBHSA-N 1 0 352.500 2.221 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H](C)COC)cc2F)CC1 ZINC000755293260 680408850 /nfs/dbraw/zinc/40/88/50/680408850.db2.gz KNOLQDVJHFGQJG-HNNXBMFYSA-N 1 0 351.466 2.256 20 10 FECDRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841569636 680900037 /nfs/dbraw/zinc/90/00/37/680900037.db2.gz MWCMKZBTCQUCDR-INIZCTEOSA-N 1 0 355.548 2.253 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000841765428 680910888 /nfs/dbraw/zinc/91/08/88/680910888.db2.gz YBPQISLOMXNDNM-HOCLYGCPSA-N 1 0 353.894 2.103 20 10 FECDRO [NH3+]C/C=C\CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843384 680914339 /nfs/dbraw/zinc/91/43/39/680914339.db2.gz GIUHBCJBUDJIHS-UIIMQBOASA-N 1 0 354.401 2.071 20 10 FECDRO [NH3+]CCCOC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000841855906 680914854 /nfs/dbraw/zinc/91/48/54/680914854.db2.gz CZWVAZQNTPMMSN-UHFFFAOYSA-N 1 0 358.533 2.165 20 10 FECDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000841947242 680918402 /nfs/dbraw/zinc/91/84/02/680918402.db2.gz DLQWAGOEVBKUIA-GXFFZTMASA-N 1 0 356.264 2.471 20 10 FECDRO O=S1(=O)CCC(CC[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000768652175 680954183 /nfs/dbraw/zinc/95/41/83/680954183.db2.gz UKENTBQBIYDYTR-UHFFFAOYSA-N 1 0 362.289 2.459 20 10 FECDRO Cc1ccc(F)cc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842783822 680966122 /nfs/dbraw/zinc/96/61/22/680966122.db2.gz DBWOGOYAVKXWLD-MRXNPFEDSA-N 1 0 351.447 2.178 20 10 FECDRO Cc1ccc(F)cc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842783820 680966165 /nfs/dbraw/zinc/96/61/65/680966165.db2.gz DBWOGOYAVKXWLD-INIZCTEOSA-N 1 0 351.447 2.178 20 10 FECDRO COc1cc(Br)cc(CN2CC[NH2+]C[C@@H]2C(F)F)c1O ZINC000843124745 680989077 /nfs/dbraw/zinc/98/90/77/680989077.db2.gz MIFIFVJCVSXPDQ-SNVBAGLBSA-N 1 0 351.191 2.202 20 10 FECDRO CN(C)S(=O)(=O)c1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350198 680999382 /nfs/dbraw/zinc/99/93/82/680999382.db2.gz OYGVHXNZTZJRDU-UHFFFAOYSA-N 1 0 359.495 2.348 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000844999144 681097368 /nfs/dbraw/zinc/09/73/68/681097368.db2.gz OZFJKNXVZULUAC-CYBMUJFWSA-N 1 0 367.877 2.346 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c1O ZINC000846141681 681188934 /nfs/dbraw/zinc/18/89/34/681188934.db2.gz MPTWIJLSIIAUFI-CYBMUJFWSA-N 1 0 350.440 2.030 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1O ZINC000846155266 681191223 /nfs/dbraw/zinc/19/12/23/681191223.db2.gz FRMJXBWURNIBMV-GFCCVEGCSA-N 1 0 370.496 2.400 20 10 FECDRO CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(Cl)ccc1O ZINC000775512098 681312243 /nfs/dbraw/zinc/31/22/43/681312243.db2.gz LYXJCTZBLFJRSA-AWEZNQCLSA-N 1 0 373.862 2.194 20 10 FECDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000777564830 681504285 /nfs/dbraw/zinc/50/42/85/681504285.db2.gz PTQAHBRGSQBKJC-LBPRGKRZSA-N 1 0 353.344 2.441 20 10 FECDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848524718 681571386 /nfs/dbraw/zinc/57/13/86/681571386.db2.gz LLSPJVZCQMUNHR-VIFPVBQESA-N 1 0 366.277 2.249 20 10 FECDRO COc1ccc(N2CC[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)C2)cc1 ZINC000849271075 681674193 /nfs/dbraw/zinc/67/41/93/681674193.db2.gz ZKCPKCUKAAIZLW-HNNXBMFYSA-N 1 0 364.559 2.326 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@]2(OCCO)CCOC2)c(C(F)(F)F)c1 ZINC000850358810 681891388 /nfs/dbraw/zinc/89/13/88/681891388.db2.gz XBGGFRUYFZLBPC-INIZCTEOSA-N 1 0 362.392 2.029 20 10 FECDRO OC1CCN(c2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)CC1 ZINC000850406300 681898375 /nfs/dbraw/zinc/89/83/75/681898375.db2.gz AQGYVDGLSMXIRS-UHFFFAOYSA-N 1 0 353.457 2.467 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000781906378 681987021 /nfs/dbraw/zinc/98/70/21/681987021.db2.gz BWYZTQWEOZZSBP-HZPDHXFCSA-N 1 0 369.303 2.494 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](F)C(C)C)CC2)cc1 ZINC000784028698 682194040 /nfs/dbraw/zinc/19/40/40/682194040.db2.gz VUVXGFAPXLISND-GOSISDBHSA-N 1 0 351.466 2.318 20 10 FECDRO COC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H]1CCCO1 ZINC000788537421 682537500 /nfs/dbraw/zinc/53/75/00/682537500.db2.gz WJACEEIDKFUZJD-QWHCGFSZSA-N 1 0 360.248 2.447 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2COCCN2C)c1O ZINC000858522895 682976418 /nfs/dbraw/zinc/97/64/18/682976418.db2.gz KYSUHZGLZGDLIR-CMPLNLGQSA-N 1 0 359.264 2.145 20 10 FECDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000795834802 683096358 /nfs/dbraw/zinc/09/63/58/683096358.db2.gz WMHPKDYJAVTQJU-XHSDSOJGSA-N 1 0 368.905 2.472 20 10 FECDRO Cc1c(CO)cc([N+](=O)[O-])c(N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000798404161 683343097 /nfs/dbraw/zinc/34/30/97/683343097.db2.gz LLZKFGKURNNWQF-UHFFFAOYSA-N 1 0 352.391 2.226 20 10 FECDRO CCN(CC[NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000861596988 683441185 /nfs/dbraw/zinc/44/11/85/683441185.db2.gz XCLZDRZPSFBAFZ-ZDUSSCGKSA-N 1 0 356.417 2.247 20 10 FECDRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921579600 683508379 /nfs/dbraw/zinc/50/83/79/683508379.db2.gz WXYIQELYXQSNRE-UHFFFAOYSA-N 1 0 360.479 2.351 20 10 FECDRO CC[C@H](NC(C)=O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866765550 684147851 /nfs/dbraw/zinc/14/78/51/684147851.db2.gz YSKRBJWMQRNILB-HOTGVXAUSA-N 1 0 367.877 2.041 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000932024184 684392836 /nfs/dbraw/zinc/39/28/36/684392836.db2.gz GIUBAKFZCDFPAH-SCLBCKFNSA-N 1 0 350.390 2.444 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c1O ZINC000932092913 684405773 /nfs/dbraw/zinc/40/57/73/684405773.db2.gz HGTDFJUYDZYVKT-SFHVURJKSA-N 1 0 350.390 2.444 20 10 FECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCOC1 ZINC000872036057 684916724 /nfs/dbraw/zinc/91/67/24/684916724.db2.gz RSEXSTIAYHGYBP-IEBWSBKVSA-N 1 0 366.527 2.216 20 10 FECDRO COc1ccc(C[NH2+]CCS(=O)(=O)C(C)(C)C)cc1Cn1cccn1 ZINC000873050558 685059583 /nfs/dbraw/zinc/05/95/83/685059583.db2.gz WXVNJSVNPCYMSL-UHFFFAOYSA-N 1 0 365.499 2.243 20 10 FECDRO Cc1cn2cc(CC(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)nc2s1 ZINC000876506779 686213232 /nfs/dbraw/zinc/21/32/32/686213232.db2.gz OIYORVWYFZCCSF-MRXNPFEDSA-N 1 0 357.483 2.129 20 10 FECDRO COc1cccc(C[C@H]([NH3+])C(=O)NCCCSc2nccs2)c1 ZINC000876662417 686238928 /nfs/dbraw/zinc/23/89/28/686238928.db2.gz OLXXXRPNTWQTLM-AWEZNQCLSA-N 1 0 351.497 2.320 20 10 FECDRO [NH3+][C@H]1CC=C(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000876743026 686258489 /nfs/dbraw/zinc/25/84/89/686258489.db2.gz ZNPMWVBXBIWUFX-ZDUSSCGKSA-N 1 0 351.397 2.421 20 10 FECDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876758971 686262259 /nfs/dbraw/zinc/26/22/59/686262259.db2.gz MASNUPQQXDVMMI-KRWDZBQOSA-N 1 0 364.511 2.128 20 10 FECDRO Cc1cc(Br)cc(C[NH+]2CCC(c3nnnn3C)CC2)c1O ZINC000877780771 686455573 /nfs/dbraw/zinc/45/55/73/686455573.db2.gz CIKCDXZHNQQSND-UHFFFAOYSA-N 1 0 366.263 2.366 20 10 FECDRO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1O ZINC000879648388 686879929 /nfs/dbraw/zinc/87/99/29/686879929.db2.gz MNZOCUHKCBKPRS-OAHLLOKOSA-N 1 0 359.495 2.449 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@]3(C)Br)cc2)CC1 ZINC000881854350 687235110 /nfs/dbraw/zinc/23/51/10/687235110.db2.gz CNENHXGXWODAPL-WBVHZDCISA-N 1 0 366.303 2.228 20 10 FECDRO [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000882916354 687526940 /nfs/dbraw/zinc/52/69/40/687526940.db2.gz NHYNQUZEBWAKSI-GFCCVEGCSA-N 1 0 363.683 2.354 20 10 FECDRO C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882985226 687540528 /nfs/dbraw/zinc/54/05/28/687540528.db2.gz NPTKFVDSNPSOES-UHFFFAOYSA-N 1 0 374.298 2.411 20 10 FECDRO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000883306351 687605403 /nfs/dbraw/zinc/60/54/03/687605403.db2.gz TZNFKFQCVXRFKU-GDBMZVCRSA-N 1 0 370.490 2.280 20 10 FECDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000885891649 688180060 /nfs/dbraw/zinc/18/00/60/688180060.db2.gz WKPJHRDRDOMXTC-ZDUSSCGKSA-N 1 0 362.451 2.296 20 10 FECDRO COCc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891250186 689040027 /nfs/dbraw/zinc/04/00/27/689040027.db2.gz VENNFMOCQXQKPT-HNNXBMFYSA-N 1 0 362.499 2.388 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000891456518 689064029 /nfs/dbraw/zinc/06/40/29/689064029.db2.gz OZAVHDJWQUBROW-RYUDHWBXSA-N 1 0 362.371 2.170 20 10 FECDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)ccc21 ZINC000891459694 689064529 /nfs/dbraw/zinc/06/45/29/689064529.db2.gz FBXQEFAXXNSTEU-HNNXBMFYSA-N 1 0 352.429 2.113 20 10 FECDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1OC ZINC000894277617 689498803 /nfs/dbraw/zinc/49/88/03/689498803.db2.gz MHZKUQMKQTXKTA-RDTXWAMCSA-N 1 0 351.443 2.067 20 10 FECDRO COC(=O)c1c(C[NH2+]CC[C@H](C)[S@@](C)=O)c2cc(F)ccc2n1C ZINC000894410605 689526433 /nfs/dbraw/zinc/52/64/33/689526433.db2.gz RRCWWZUACTVHNB-APXPCNQMSA-N 1 0 354.447 2.351 20 10 FECDRO COc1cc(C)cc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c1O ZINC000894671854 689576084 /nfs/dbraw/zinc/57/60/84/689576084.db2.gz DSFBDUGEMYHJFY-UHFFFAOYSA-N 1 0 363.479 2.456 20 10 FECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)[C@H]1OC ZINC000894843294 689606858 /nfs/dbraw/zinc/60/68/58/689606858.db2.gz KFJGXVFCNDBBFK-JFIYKMOQSA-N 1 0 356.413 2.083 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC4(C[C@H]3F)OCCO4)C2)cc1 ZINC000895308655 689692901 /nfs/dbraw/zinc/69/29/01/689692901.db2.gz APZPDICUOJOLAW-BMGDILEWSA-N 1 0 350.434 2.497 20 10 FECDRO COc1ccc(C[NH2+]Cc2cn(C)nc2Br)c(O)c1OC ZINC000896280894 689848733 /nfs/dbraw/zinc/84/87/33/689848733.db2.gz FMKAPESGBDPZJQ-UHFFFAOYSA-N 1 0 356.220 2.195 20 10 FECDRO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000896979499 689957758 /nfs/dbraw/zinc/95/77/58/689957758.db2.gz YGIBLHMFQJPHBH-SFHVURJKSA-N 1 0 354.422 2.383 20 10 FECDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000897607917 690048100 /nfs/dbraw/zinc/04/81/00/690048100.db2.gz RABZAKNZPDYXIX-OCCSQVGLSA-N 1 0 370.515 2.055 20 10 FECDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@H]2C1 ZINC000897850487 690090109 /nfs/dbraw/zinc/09/01/09/690090109.db2.gz SHJJJXPCQGNAPN-SWLSCSKDSA-N 1 0 362.451 2.248 20 10 FECDRO CC[C@@H](CCO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102840 690304386 /nfs/dbraw/zinc/30/43/86/690304386.db2.gz SLWJUDAZFRSSHD-MAUKXSAKSA-N 1 0 350.507 2.063 20 10 FECDRO CC[C@@](C)(CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105494 690304943 /nfs/dbraw/zinc/30/49/43/690304943.db2.gz XPPDPKSLFVNHIK-MJGOQNOKSA-N 1 0 350.507 2.206 20 10 FECDRO CC(C)[NH+]1CCN(CCC(=O)NCCCSc2nccs2)CC1 ZINC000900683727 690547974 /nfs/dbraw/zinc/54/79/74/690547974.db2.gz PVLYPAKEGSXEGG-UHFFFAOYSA-N 1 0 356.561 2.158 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)SC)CC2)cc1 ZINC000042852228 540081307 /nfs/dbraw/zinc/08/13/07/540081307.db2.gz SORFCELWEYZNAU-HNNXBMFYSA-N 1 0 351.516 2.075 20 10 FECDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054787082 540610048 /nfs/dbraw/zinc/61/00/48/540610048.db2.gz DWTJLPSBAKWSTB-KRWDZBQOSA-N 1 0 360.502 2.197 20 10 FECDRO CCC[N@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1ccccc1O ZINC000068973609 541646175 /nfs/dbraw/zinc/64/61/75/541646175.db2.gz PJXDTOLICWTWMD-FQEVSTJZSA-N 1 0 369.465 2.208 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(N2CCC(O)CC2)cc1 ZINC000089677708 542768491 /nfs/dbraw/zinc/76/84/91/542768491.db2.gz WWZBSYOLFAPUKQ-IIBYNOLFSA-N 1 0 359.514 2.162 20 10 FECDRO COc1cccc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000092585676 542872733 /nfs/dbraw/zinc/87/27/33/542872733.db2.gz YGGGYTSXFNYXDF-LBPRGKRZSA-N 1 0 350.440 2.241 20 10 FECDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000097216676 543008177 /nfs/dbraw/zinc/00/81/77/543008177.db2.gz AQMCWOMASQHDEF-KRWDZBQOSA-N 1 0 360.502 2.197 20 10 FECDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000105321067 543171129 /nfs/dbraw/zinc/17/11/29/543171129.db2.gz WLZRSCNDFFCWTL-INIZCTEOSA-N 1 0 369.513 2.102 20 10 FECDRO C[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1O ZINC000109770414 543338768 /nfs/dbraw/zinc/33/87/68/543338768.db2.gz HFAVQGIGJCUSAU-UHFFFAOYSA-N 1 0 367.449 2.033 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000125584789 543889930 /nfs/dbraw/zinc/88/99/30/543889930.db2.gz OOQBBTNCZHMPCQ-RLLQIKCJSA-N 1 0 359.514 2.456 20 10 FECDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000127840926 544016829 /nfs/dbraw/zinc/01/68/29/544016829.db2.gz KWZWSWBXNJCHNH-SJLPKXTDSA-N 1 0 372.513 2.290 20 10 FECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc[nH]c(=O)c1 ZINC000134260638 544300539 /nfs/dbraw/zinc/30/05/39/544300539.db2.gz LTGWEHJYXBAZPH-OAHLLOKOSA-N 1 0 361.829 2.128 20 10 FECDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n(C)n1 ZINC000134261732 544300660 /nfs/dbraw/zinc/30/06/60/544300660.db2.gz RJTAOMHZLXCBKF-OAHLLOKOSA-N 1 0 362.861 2.482 20 10 FECDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CN1CCOCC1 ZINC000153342419 544763454 /nfs/dbraw/zinc/76/34/54/544763454.db2.gz KEEBNZICYCXVKX-SJORKVTESA-N 1 0 365.493 2.281 20 10 FECDRO CC[C@H]([NH2+]CCCNS(C)(=O)=O)c1cc(Br)ccc1O ZINC000154989957 544974684 /nfs/dbraw/zinc/97/46/84/544974684.db2.gz WHNSRFPWPUWGBB-LBPRGKRZSA-N 1 0 365.293 2.135 20 10 FECDRO CC[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000805178036 674324329 /nfs/dbraw/zinc/32/43/29/674324329.db2.gz BAZFJIOIVGOQEX-UHFFFAOYSA-N 1 0 356.264 2.438 20 10 FECDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805199447 674325514 /nfs/dbraw/zinc/32/55/14/674325514.db2.gz SZRISMLUZWWGPX-IINYFYTJSA-N 1 0 368.275 2.437 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3=COCCC3)CC2)cc1 ZINC000170786519 546177191 /nfs/dbraw/zinc/17/71/91/546177191.db2.gz NNYNUCBKNVWIAC-UHFFFAOYSA-N 1 0 359.470 2.018 20 10 FECDRO C[C@H]1C[NH+](CC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C[C@H](C)O1 ZINC000180741517 547170269 /nfs/dbraw/zinc/17/02/69/547170269.db2.gz ISBPJJFBDKOHOF-IRJXADNDSA-N 1 0 374.481 2.459 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3cccc(O)c3)CC2)cc1 ZINC000181510000 547326033 /nfs/dbraw/zinc/32/60/33/547326033.db2.gz YKKSZKSTBDUHNO-INIZCTEOSA-N 1 0 369.465 2.400 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000182899357 547569027 /nfs/dbraw/zinc/56/90/27/547569027.db2.gz IFRLWLVTLYUWBZ-LJQANCHMSA-N 1 0 369.465 2.300 20 10 FECDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000185879886 548051037 /nfs/dbraw/zinc/05/10/37/548051037.db2.gz PCLDFQGVFNUTHJ-LBPRGKRZSA-N 1 0 356.854 2.069 20 10 FECDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188784103 548286935 /nfs/dbraw/zinc/28/69/35/548286935.db2.gz ZLPKIUGNJVPHBW-SLEUVZQESA-N 1 0 357.376 2.073 20 10 FECDRO CCOC1CC(C[NH2+][C@H](C)c2cc(F)ccc2O)(N2CCOCC2)C1 ZINC000193404195 548386220 /nfs/dbraw/zinc/38/62/20/548386220.db2.gz GHSNFRWZJZLWBT-ICXUMSERSA-N 1 0 352.450 2.452 20 10 FECDRO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000245980591 549031195 /nfs/dbraw/zinc/03/11/95/549031195.db2.gz BABHYQLWGOHDSF-KBPBESRZSA-N 1 0 374.453 2.424 20 10 FECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266633097 550022098 /nfs/dbraw/zinc/02/20/98/550022098.db2.gz VQZHITVHNRKVIZ-GOSISDBHSA-N 1 0 361.446 2.129 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000269229115 550170088 /nfs/dbraw/zinc/17/00/88/550170088.db2.gz BRPQWNBZCGTTKJ-NRSPTQNISA-N 1 0 371.525 2.432 20 10 FECDRO COc1ccc(COC[C@@H](O)C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000269669459 550215681 /nfs/dbraw/zinc/21/56/81/550215681.db2.gz WQQYFBDFTWYRHE-KRWDZBQOSA-N 1 0 361.438 2.419 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1 ZINC000271115792 550342035 /nfs/dbraw/zinc/34/20/35/550342035.db2.gz BOVLQJNXONOCGB-GJZGRUSLSA-N 1 0 350.459 2.154 20 10 FECDRO C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273551145 550502687 /nfs/dbraw/zinc/50/26/87/550502687.db2.gz FYJDCGLDZMDUCG-AWEZNQCLSA-N 1 0 350.463 2.225 20 10 FECDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273583388 550504032 /nfs/dbraw/zinc/50/40/32/550504032.db2.gz NCVLGYBEVFLMIY-CABCVRRESA-N 1 0 350.463 2.225 20 10 FECDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1O ZINC000277412813 550667440 /nfs/dbraw/zinc/66/74/40/550667440.db2.gz UCJGOVFRFOYTNK-MRXNPFEDSA-N 1 0 356.422 2.119 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)C[C@H](OCCOC)C2)cc1 ZINC000278748133 550817721 /nfs/dbraw/zinc/81/77/21/550817721.db2.gz RWCBKLOZIXHUGZ-QUCCMNQESA-N 1 0 350.503 2.379 20 10 FECDRO COc1c(O)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000278870703 550831146 /nfs/dbraw/zinc/83/11/46/550831146.db2.gz MVRXYQLCZDQGBT-OAHLLOKOSA-N 1 0 371.393 2.200 20 10 FECDRO COc1c(O)c(C[NH2+][C@@H](C)C(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278935155 550837697 /nfs/dbraw/zinc/83/76/97/550837697.db2.gz WVUKQXLGPUBGJP-LBPRGKRZSA-N 1 0 359.382 2.104 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCC(=O)N2CCOCC2)c(C(F)(F)F)c1 ZINC000280034911 550954518 /nfs/dbraw/zinc/95/45/18/550954518.db2.gz UXTDLKDUWYFIMK-UHFFFAOYSA-N 1 0 359.392 2.110 20 10 FECDRO CC1=C(C)C[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000280667615 551019417 /nfs/dbraw/zinc/01/94/17/551019417.db2.gz FRGJQDXSBAUKOI-UHFFFAOYSA-N 1 0 361.461 2.321 20 10 FECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1 ZINC000280923779 551045943 /nfs/dbraw/zinc/04/59/43/551045943.db2.gz HOKZFEJVAVXWOZ-LSDHHAIUSA-N 1 0 355.486 2.351 20 10 FECDRO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1O ZINC000281695831 551132055 /nfs/dbraw/zinc/13/20/55/551132055.db2.gz CBAULZONRAEWQD-QUCCMNQESA-N 1 0 354.450 2.486 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1OC ZINC000282845189 551277042 /nfs/dbraw/zinc/27/70/42/551277042.db2.gz DAKBVFQNZVSZQP-FZKQIMNGSA-N 1 0 351.443 2.067 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000288070043 552085199 /nfs/dbraw/zinc/08/51/99/552085199.db2.gz VHBNPZSUZQGICM-HNNXBMFYSA-N 1 0 361.486 2.120 20 10 FECDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000291528297 552634175 /nfs/dbraw/zinc/63/41/75/552634175.db2.gz JUKLQPBKPQNAKX-IUODEOHRSA-N 1 0 355.276 2.450 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000298046313 553376632 /nfs/dbraw/zinc/37/66/32/553376632.db2.gz HHYSRSBBROKKSF-FQEVSTJZSA-N 1 0 358.530 2.319 20 10 FECDRO Cc1cc(C(=O)N2CCCN(CC[NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000360570968 554880132 /nfs/dbraw/zinc/88/01/32/554880132.db2.gz BQCIVJNRTFHCIC-UHFFFAOYSA-N 1 0 369.513 2.199 20 10 FECDRO CCNC(=O)CCCC(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000362852746 554993392 /nfs/dbraw/zinc/99/33/92/554993392.db2.gz RUZIJWCUTPCZNK-UHFFFAOYSA-N 1 0 361.486 2.429 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000363786991 555186155 /nfs/dbraw/zinc/18/61/55/555186155.db2.gz SRZIERGMALGGLI-AEFFLSMTSA-N 1 0 355.486 2.186 20 10 FECDRO CCOc1cccc(C[NH2+][C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1O ZINC000363966580 555223601 /nfs/dbraw/zinc/22/36/01/555223601.db2.gz NTAJYHICLMHGRH-QGZVFWFLSA-N 1 0 370.453 2.170 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCOCC3)cc2F)CC1 ZINC000365495458 555591016 /nfs/dbraw/zinc/59/10/16/555591016.db2.gz ZKDPIZJIXQBGDW-KRWDZBQOSA-N 1 0 363.477 2.401 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)c3cccn3C)CC2)cc1OC ZINC000367228052 556003491 /nfs/dbraw/zinc/00/34/91/556003491.db2.gz FCTNIXVYVXKUPX-UHFFFAOYSA-N 1 0 373.453 2.142 20 10 FECDRO OCC1([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCCO2)CCC1 ZINC000367960150 556182541 /nfs/dbraw/zinc/18/25/41/556182541.db2.gz XIIOTMICVUNNHV-PMACEKPBSA-N 1 0 360.498 2.323 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3cnccn3)CC2)c1 ZINC000368219736 556251612 /nfs/dbraw/zinc/25/16/12/556251612.db2.gz ADXFNRSYOROBHX-ZDUSSCGKSA-N 1 0 356.426 2.146 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1O ZINC000368590343 556355495 /nfs/dbraw/zinc/35/54/95/556355495.db2.gz KMVOTKWGCUMTMU-GOSISDBHSA-N 1 0 354.878 2.325 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000369369125 556582316 /nfs/dbraw/zinc/58/23/16/556582316.db2.gz FIIVECZZMLODAY-GOSISDBHSA-N 1 0 373.545 2.063 20 10 FECDRO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CCN2C1=O ZINC000369438826 556600979 /nfs/dbraw/zinc/60/09/79/556600979.db2.gz NDDKVBOGCJXTOW-GOSISDBHSA-N 1 0 356.470 2.145 20 10 FECDRO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2cccc(C)c2O)CC(=O)N1C ZINC000370408820 556863693 /nfs/dbraw/zinc/86/36/93/556863693.db2.gz YOPZTCKWFPTBQO-QFBILLFUSA-N 1 0 356.470 2.360 20 10 FECDRO COc1ccc(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c(O)c1 ZINC000373418830 557689883 /nfs/dbraw/zinc/68/98/83/557689883.db2.gz SLMQWFPXWOKWDK-UHFFFAOYSA-N 1 0 370.453 2.260 20 10 FECDRO COc1ccc(CNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)c(O)c1 ZINC000373712289 557743512 /nfs/dbraw/zinc/74/35/12/557743512.db2.gz OGPLPXPCXHUBKQ-UHFFFAOYSA-N 1 0 358.442 2.013 20 10 FECDRO C[C@]1(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)NC(=O)NC1=O ZINC000374285083 557857905 /nfs/dbraw/zinc/85/79/05/557857905.db2.gz XKXSBXAYBAYLLN-OAQYLSRUSA-N 1 0 370.497 2.487 20 10 FECDRO C[C@@]1(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)NC(=O)NC1=O ZINC000374285079 557858099 /nfs/dbraw/zinc/85/80/99/557858099.db2.gz XKXSBXAYBAYLLN-NRFANRHFSA-N 1 0 370.497 2.487 20 10 FECDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000376811745 558224482 /nfs/dbraw/zinc/22/44/82/558224482.db2.gz LGLLKGXCDPKBOR-HNNXBMFYSA-N 1 0 352.500 2.078 20 10 FECDRO CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)NC ZINC000457043333 560545347 /nfs/dbraw/zinc/54/53/47/560545347.db2.gz IEAHOLVRITVQSC-QGZVFWFLSA-N 1 0 370.497 2.049 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1C ZINC000808225890 674447717 /nfs/dbraw/zinc/44/77/17/674447717.db2.gz AVKDNCDIRVTUNL-HNNXBMFYSA-N 1 0 352.500 2.303 20 10 FECDRO CC(C)(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OCCO ZINC000808438508 674459159 /nfs/dbraw/zinc/45/91/59/674459159.db2.gz YZQBTBOQGHDXRX-UHFFFAOYSA-N 1 0 351.447 2.462 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809783861 674509906 /nfs/dbraw/zinc/50/99/06/674509906.db2.gz FUFYXBYAZVLHBP-CQSZACIVSA-N 1 0 368.499 2.085 20 10 FECDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000809785959 674509837 /nfs/dbraw/zinc/50/98/37/674509837.db2.gz IZVFTGZFPCHLFP-CYBMUJFWSA-N 1 0 358.479 2.413 20 10 FECDRO C[NH+]1CCC(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000105152355 670798223 /nfs/dbraw/zinc/79/82/23/670798223.db2.gz UIWVOZRWMLSYEG-UHFFFAOYSA-N 1 0 362.543 2.381 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000817958910 675188029 /nfs/dbraw/zinc/18/80/29/675188029.db2.gz MRKCJZCJLQUSSC-INIZCTEOSA-N 1 0 371.275 2.129 20 10 FECDRO COc1ccc(O)c(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)c1 ZINC000179889049 672406608 /nfs/dbraw/zinc/40/66/08/672406608.db2.gz BNFYAIGHBKJSTF-UHFFFAOYSA-N 1 0 352.385 2.310 20 10 FECDRO CCS(=O)(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000193386726 672722515 /nfs/dbraw/zinc/72/25/15/672722515.db2.gz WSPAYFUPSBJULM-UHFFFAOYSA-N 1 0 370.515 2.299 20 10 FECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000310657004 673025417 /nfs/dbraw/zinc/02/54/17/673025417.db2.gz VLWZKOOITQYRPD-CQSZACIVSA-N 1 0 352.431 2.126 20 10 FECDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000736639446 673535150 /nfs/dbraw/zinc/53/51/50/673535150.db2.gz XZEDZXTYCBNRRJ-UHFFFAOYSA-N 1 0 365.524 2.285 20 10 FECDRO CCOC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000818963843 675247308 /nfs/dbraw/zinc/24/73/08/675247308.db2.gz BXANUEDALVCTAG-HNNXBMFYSA-N 1 0 362.392 2.029 20 10 FECDRO Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822553229 675491552 /nfs/dbraw/zinc/49/15/52/675491552.db2.gz FLISBFCSXJOLNM-IAGOWNOFSA-N 1 0 356.495 2.393 20 10 FECDRO COc1ccc(O)c(C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000824543393 675609575 /nfs/dbraw/zinc/60/95/75/675609575.db2.gz JKVIUEKYYIASEJ-UHFFFAOYSA-N 1 0 353.216 2.115 20 10 FECDRO COC[C@@](C)(O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824559820 675610404 /nfs/dbraw/zinc/61/04/04/675610404.db2.gz ZPPDNVNHTMJZLY-SFHVURJKSA-N 1 0 351.447 2.462 20 10 FECDRO [NH3+][C@H](CC(F)F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358878 675815325 /nfs/dbraw/zinc/81/53/25/675815325.db2.gz OEWIXTKJOADHCY-CYBMUJFWSA-N 1 0 363.355 2.356 20 10 FECDRO COCCC[N@H+](Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000840910945 680852182 /nfs/dbraw/zinc/85/21/82/680852182.db2.gz YBKTYJJHZIKECW-SFHVURJKSA-N 1 0 354.516 2.087 20 10 FECDRO Cc1cc(O)c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000840913899 680852391 /nfs/dbraw/zinc/85/23/91/680852391.db2.gz LMIAVOGDYBBRFF-UHFFFAOYSA-N 1 0 351.878 2.094 20 10 FECDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765732150 680853103 /nfs/dbraw/zinc/85/31/03/680853103.db2.gz GUCCTWXUWKRCNO-HOTGVXAUSA-N 1 0 351.466 2.034 20 10 FECDRO Nc1ccc(CCNC(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000911783271 685260655 /nfs/dbraw/zinc/26/06/55/685260655.db2.gz SRQKHHFLZLKBND-CQSZACIVSA-N 1 0 351.372 2.305 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000834906866 680281799 /nfs/dbraw/zinc/28/17/99/680281799.db2.gz IKBKZFXXKOIBDH-HZSPNIEDSA-N 1 0 351.878 2.481 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000835040199 680289757 /nfs/dbraw/zinc/28/97/57/680289757.db2.gz BMNBALXUXCNECQ-HYXAFXHYSA-N 1 0 365.524 2.395 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835073589 680293459 /nfs/dbraw/zinc/29/34/59/680293459.db2.gz NMIGKQSAMPDVDG-STQMWFEESA-N 1 0 369.259 2.406 20 10 FECDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000757705594 680532884 /nfs/dbraw/zinc/53/28/84/680532884.db2.gz QUMIRUVBIIYBIU-HNNXBMFYSA-N 1 0 353.532 2.465 20 10 FECDRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000766143348 680868411 /nfs/dbraw/zinc/86/84/11/680868411.db2.gz BQHJVJNGSPGBIQ-INIZCTEOSA-N 1 0 366.527 2.267 20 10 FECDRO Cc1cc(Br)cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000841891827 680916449 /nfs/dbraw/zinc/91/64/49/680916449.db2.gz PSFPVVYRNONGTB-CHWSQXEVSA-N 1 0 357.292 2.350 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841944363 680918263 /nfs/dbraw/zinc/91/82/63/680918263.db2.gz FKRLZRZUMLXWHV-ZDUSSCGKSA-N 1 0 356.264 2.438 20 10 FECDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000841947244 680918393 /nfs/dbraw/zinc/91/83/93/680918393.db2.gz DLQWAGOEVBKUIA-ZWNOBZJWSA-N 1 0 356.264 2.471 20 10 FECDRO O=C(NCCC1=CC[NH2+]CC1)NCc1cc(Br)ccc1O ZINC000841984788 680920279 /nfs/dbraw/zinc/92/02/79/680920279.db2.gz HYUDZKBNNSYMLS-UHFFFAOYSA-N 1 0 354.248 2.264 20 10 FECDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(O)c1 ZINC000768438257 680947033 /nfs/dbraw/zinc/94/70/33/680947033.db2.gz QQONLXGESODEMG-OAHLLOKOSA-N 1 0 356.488 2.085 20 10 FECDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768441346 680947105 /nfs/dbraw/zinc/94/71/05/680947105.db2.gz YOEYSUBLAIFAKV-HUUCEWRRSA-N 1 0 350.459 2.072 20 10 FECDRO CCOC(=O)N(C)C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768450971 680947275 /nfs/dbraw/zinc/94/72/75/680947275.db2.gz KRGWDAIMGNUMSI-UHFFFAOYSA-N 1 0 352.431 2.462 20 10 FECDRO CSc1ccccc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784230 680966081 /nfs/dbraw/zinc/96/60/81/680966081.db2.gz HREMIBINJARDNW-HNNXBMFYSA-N 1 0 365.524 2.453 20 10 FECDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1 ZINC000842784094 680966175 /nfs/dbraw/zinc/96/61/75/680966175.db2.gz GIZHGNNGIUALEI-INIZCTEOSA-N 1 0 351.447 2.178 20 10 FECDRO Cc1cccc(F)c1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785618 680966294 /nfs/dbraw/zinc/96/62/94/680966294.db2.gz ORQBWPOZYJFBHE-MRXNPFEDSA-N 1 0 351.447 2.178 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)Cc2cccc(F)c2)cc1 ZINC000842785913 680966472 /nfs/dbraw/zinc/96/64/72/680966472.db2.gz XJNPJFAKTNDFQO-KRWDZBQOSA-N 1 0 351.447 2.011 20 10 FECDRO C[NH+]1CCN(c2ccc(CN3CCc4cc(Cl)nnc4C3)cc2)CC1 ZINC000843418170 681002968 /nfs/dbraw/zinc/00/29/68/681002968.db2.gz JKMPIBRFAXZLHZ-UHFFFAOYSA-N 1 0 357.889 2.440 20 10 FECDRO Cc1cc(Br)cc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1O ZINC000843427996 681003653 /nfs/dbraw/zinc/00/36/53/681003653.db2.gz FEICFMXLDVFPAT-LBPRGKRZSA-N 1 0 370.291 2.015 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC1CC[NH2+]CC1 ZINC000843489976 681006728 /nfs/dbraw/zinc/00/67/28/681006728.db2.gz UTLAZKCADLBEIS-UHFFFAOYSA-N 1 0 368.861 2.327 20 10 FECDRO Fc1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)ccc1N1CCOCC1 ZINC000770278688 681011510 /nfs/dbraw/zinc/01/15/10/681011510.db2.gz CMDVUZSLVVGQTF-MSOLQXFVSA-N 1 0 352.475 2.369 20 10 FECDRO CCOCc1cc(C[NH2+][C@@]2(CC(=O)OC)CCCOC2)ccc1OC ZINC000770676778 681023551 /nfs/dbraw/zinc/02/35/51/681023551.db2.gz IGSXXVPDEYKRSD-LJQANCHMSA-N 1 0 351.443 2.434 20 10 FECDRO COc1ccc(N(C)CCN(C)C(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000844579771 681066694 /nfs/dbraw/zinc/06/66/94/681066694.db2.gz CRIYZSVWDVUPHK-UHFFFAOYSA-N 1 0 364.559 2.280 20 10 FECDRO C[C@@H]1C[NH+](CCCNC(=O)NCc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000844868217 681088916 /nfs/dbraw/zinc/08/89/16/681088916.db2.gz LRLBAYZWLHKRQR-CHWSQXEVSA-N 1 0 355.866 2.344 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000845065965 681101455 /nfs/dbraw/zinc/10/14/55/681101455.db2.gz YCOCXXZGJRCHQP-NVXWUHKLSA-N 1 0 367.877 2.223 20 10 FECDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846037429 681176275 /nfs/dbraw/zinc/17/62/75/681176275.db2.gz OUTRVXJTUNZBNE-KRWDZBQOSA-N 1 0 353.532 2.437 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000846155438 681190989 /nfs/dbraw/zinc/19/09/89/681190989.db2.gz XCZJYQHPABITST-GFCCVEGCSA-N 1 0 354.472 2.008 20 10 FECDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000775998619 681355826 /nfs/dbraw/zinc/35/58/26/681355826.db2.gz GZIGKLJQFNCUKG-OLZOCXBDSA-N 1 0 352.431 2.366 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)c1O ZINC000848518462 681570249 /nfs/dbraw/zinc/57/02/49/681570249.db2.gz LSWBBBGZPQRWHU-SKDRFNHKSA-N 1 0 357.248 2.483 20 10 FECDRO COc1cc(Br)cc([C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)c1O ZINC000848524851 681571411 /nfs/dbraw/zinc/57/14/11/681571411.db2.gz XWMXCMJKXQDCES-DGCLKSJQSA-N 1 0 373.291 2.271 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(Br)cc1O ZINC000848563989 681579228 /nfs/dbraw/zinc/57/92/28/681579228.db2.gz GJTPIUBOROMIRC-GXSJLCMTSA-N 1 0 351.248 2.491 20 10 FECDRO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000850356208 681890179 /nfs/dbraw/zinc/89/01/79/681890179.db2.gz QDYREEHCEYJJJX-IEBWSBKVSA-N 1 0 366.527 2.216 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3CSC3)cc2F)CC1 ZINC000917233826 685530650 /nfs/dbraw/zinc/53/06/50/685530650.db2.gz UZMISWXCBPGLMC-UHFFFAOYSA-N 1 0 366.506 2.130 20 10 FECDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000784262883 682211135 /nfs/dbraw/zinc/21/11/35/682211135.db2.gz IZGFXZHKWAVDHI-GFCCVEGCSA-N 1 0 350.396 2.425 20 10 FECDRO COc1cc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1OC ZINC000787427055 682457147 /nfs/dbraw/zinc/45/71/47/682457147.db2.gz UTHCIJHFQIMWQR-UHFFFAOYSA-N 1 0 357.453 2.164 20 10 FECDRO COC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H]1CCCO1 ZINC000788537422 682537471 /nfs/dbraw/zinc/53/74/71/682537471.db2.gz WJACEEIDKFUZJD-STQMWFEESA-N 1 0 360.248 2.447 20 10 FECDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c(O)c1 ZINC000788594546 682541567 /nfs/dbraw/zinc/54/15/67/682541567.db2.gz WBBMCCJTZUYQBN-HNNXBMFYSA-N 1 0 354.516 2.169 20 10 FECDRO CN(C)c1cc(F)c(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1F ZINC000858094224 682933973 /nfs/dbraw/zinc/93/39/73/682933973.db2.gz DRVZWTXSHSNZIQ-UHFFFAOYSA-N 1 0 369.437 2.011 20 10 FECDRO COCCOC1(C[NH2+]Cc2c(O)cccc2Br)CCOCC1 ZINC000858171035 682940118 /nfs/dbraw/zinc/94/01/18/682940118.db2.gz SCJJTEXRSIKOLC-UHFFFAOYSA-N 1 0 374.275 2.457 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c1O ZINC000858472341 682971382 /nfs/dbraw/zinc/97/13/82/682971382.db2.gz YFCKWRKQAOKTOH-TVYUQYBPSA-N 1 0 360.248 2.354 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(=O)N(C)OC)c1O ZINC000858589178 682982422 /nfs/dbraw/zinc/98/24/22/682982422.db2.gz ZXTSJFWSFQHCDI-DTWKUNHWSA-N 1 0 361.236 2.222 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1F ZINC000796482105 683164987 /nfs/dbraw/zinc/16/49/87/683164987.db2.gz JGNVGTVOOHKVSJ-GOEBONIOSA-N 1 0 357.495 2.089 20 10 FECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000797095690 683222201 /nfs/dbraw/zinc/22/22/01/683222201.db2.gz FMHDUNUZQQKKQY-MBNYWOFBSA-N 1 0 356.463 2.483 20 10 FECDRO Cc1ccc(O)c(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000797879762 683285166 /nfs/dbraw/zinc/28/51/66/683285166.db2.gz NJROSCGUNUYAQF-UHFFFAOYSA-N 1 0 352.431 2.250 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC(F)(F)C1 ZINC000862279093 683563834 /nfs/dbraw/zinc/56/38/34/683563834.db2.gz LRMDPFIHWZCWFR-ZDUSSCGKSA-N 1 0 358.454 2.445 20 10 FECDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCSC[C@H]34)cc2)CC1 ZINC000922522593 683740346 /nfs/dbraw/zinc/74/03/46/683740346.db2.gz DEHYGLLWWSTNAS-VQTJNVASSA-N 1 0 361.555 2.317 20 10 FECDRO Fc1cc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)ccc1N1CCOCC1 ZINC000922524429 683740680 /nfs/dbraw/zinc/74/06/80/683740680.db2.gz KIQJBVZYRHSOCW-HKUYNNGSSA-N 1 0 365.518 2.332 20 10 FECDRO Fc1cc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)ccc1N1CCOCC1 ZINC000922524435 683740758 /nfs/dbraw/zinc/74/07/58/683740758.db2.gz KIQJBVZYRHSOCW-PKOBYXMFSA-N 1 0 365.518 2.332 20 10 FECDRO COc1ccc(C[NH2+]Cc2c(I)cnn2C)c(O)c1 ZINC000865868706 684039309 /nfs/dbraw/zinc/03/93/09/684039309.db2.gz VLUIAWYYCTVIDY-UHFFFAOYSA-N 1 0 373.194 2.029 20 10 FECDRO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(Br)ccc1O ZINC000866571434 684121019 /nfs/dbraw/zinc/12/10/19/684121019.db2.gz XVBATJAANZVFRE-SECBINFHSA-N 1 0 365.293 2.120 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CCc2cccc(F)c2)cc1 ZINC000923634494 684318413 /nfs/dbraw/zinc/31/84/13/684318413.db2.gz KKQQHMAIITXGRA-SFHVURJKSA-N 1 0 365.474 2.054 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000932024185 684393127 /nfs/dbraw/zinc/39/31/27/684393127.db2.gz GIUBAKFZCDFPAH-UGSOOPFHSA-N 1 0 350.390 2.444 20 10 FECDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883091679 687562139 /nfs/dbraw/zinc/56/21/39/687562139.db2.gz UGMVXBJFGRXUOD-GFCCVEGCSA-N 1 0 374.298 2.409 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c(Cl)c1 ZINC000883371482 687616296 /nfs/dbraw/zinc/61/62/96/687616296.db2.gz MDPDUSDKLBMELL-MRXNPFEDSA-N 1 0 367.921 2.240 20 10 FECDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893677340 689384799 /nfs/dbraw/zinc/38/47/99/689384799.db2.gz RLMULDAMGPHLOM-JSGCOSHPSA-N 1 0 352.431 2.366 20 10 FECDRO COC(=O)c1c(C[NH2+][C@H](C)CC[S@](C)=O)c2cc(F)ccc2n1C ZINC000894332896 689511800 /nfs/dbraw/zinc/51/18/00/689511800.db2.gz JJDYETSRVWKSQA-JNDILOIQSA-N 1 0 354.447 2.351 20 10 FECDRO COc1cc(O)c(C[NH2+]Cc2cn(C)nc2Br)cc1OC ZINC000896280719 689848229 /nfs/dbraw/zinc/84/82/29/689848229.db2.gz BGPLSXCQLBENEP-UHFFFAOYSA-N 1 0 356.220 2.195 20 10 FECDRO COc1cccc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1O ZINC000898398081 690174972 /nfs/dbraw/zinc/17/49/72/690174972.db2.gz BIXAJLBAFDOYRY-DEOSSOPVSA-N 1 0 355.504 2.187 20 10 FECDRO CNc1ccccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000902238328 690751031 /nfs/dbraw/zinc/75/10/31/690751031.db2.gz MNHUAMVFUSFXNR-UHFFFAOYSA-N 1 0 359.495 2.253 20 10 FECDRO C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(Br)ccc1O ZINC000903431791 690893493 /nfs/dbraw/zinc/89/34/93/690893493.db2.gz BAMSHUMJKIIFHC-SNVBAGLBSA-N 1 0 368.231 2.158 20 10 FECDRO C[C@@]1(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)NC(=O)NC1=O ZINC000012183449 539548397 /nfs/dbraw/zinc/54/83/97/539548397.db2.gz JZNOIYPVLGTEFB-FQEVSTJZSA-N 1 0 353.422 2.356 20 10 FECDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000800851368 674082852 /nfs/dbraw/zinc/08/28/52/674082852.db2.gz LQACJBLTDOHCOS-QGZVFWFLSA-N 1 0 362.451 2.018 20 10 FECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801508336 674132514 /nfs/dbraw/zinc/13/25/14/674132514.db2.gz OHZAEXDQUZOSJB-SFHVURJKSA-N 1 0 365.543 2.390 20 10 FECDRO CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076601113 542299029 /nfs/dbraw/zinc/29/90/29/542299029.db2.gz YQSIQBHPGJAHFB-UHFFFAOYSA-N 1 0 355.438 2.093 20 10 FECDRO COc1cccc(O)c1C[NH2+][C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000801734424 674146475 /nfs/dbraw/zinc/14/64/75/674146475.db2.gz BCYDAVHBNLBLAS-CQSZACIVSA-N 1 0 364.467 2.248 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000111300049 543395075 /nfs/dbraw/zinc/39/50/75/543395075.db2.gz VVWVEXPTZRKTBE-UHFFFAOYSA-N 1 0 358.530 2.365 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)c1 ZINC000802658933 674190707 /nfs/dbraw/zinc/19/07/07/674190707.db2.gz UVFPMXCIVWHEEF-CQSZACIVSA-N 1 0 364.467 2.248 20 10 FECDRO O=C(CN1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1)N1CCCC1 ZINC000129296164 544103747 /nfs/dbraw/zinc/10/37/47/544103747.db2.gz OTEHUHYKTKZDJY-UHFFFAOYSA-N 1 0 351.878 2.176 20 10 FECDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000134370763 544305328 /nfs/dbraw/zinc/30/53/28/544305328.db2.gz LQHLTYFVVWONRP-UXHICEINSA-N 1 0 374.529 2.320 20 10 FECDRO Cn1cc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000134269265 544301199 /nfs/dbraw/zinc/30/11/99/544301199.db2.gz SPMVFYOQWFYXRA-INIZCTEOSA-N 1 0 362.861 2.102 20 10 FECDRO C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000805187852 674325015 /nfs/dbraw/zinc/32/50/15/674325015.db2.gz YFNVQBWWTVXBHF-ZWNOBZJWSA-N 1 0 356.264 2.437 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157358273 545732259 /nfs/dbraw/zinc/73/22/59/545732259.db2.gz REDIURUOCRORBP-FQEVSTJZSA-N 1 0 358.530 2.319 20 10 FECDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000162405237 546139014 /nfs/dbraw/zinc/13/90/14/546139014.db2.gz DXWRHRLVXCOHTP-MAUKXSAKSA-N 1 0 363.477 2.447 20 10 FECDRO CCC(CC)[C@H](C(=O)NCc1cccc(OC)c1O)N1CCOCC1 ZINC000175930747 546374087 /nfs/dbraw/zinc/37/40/87/546374087.db2.gz JDYOYECPDHMLIJ-QGZVFWFLSA-N 1 0 350.459 2.154 20 10 FECDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000176061729 546399537 /nfs/dbraw/zinc/39/95/37/546399537.db2.gz KXADYUWIYUUDMV-UHFFFAOYSA-N 1 0 355.438 2.359 20 10 FECDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCN4C)C2=O)n(C)n1 ZINC000178938826 546876652 /nfs/dbraw/zinc/87/66/52/546876652.db2.gz IVTMQLPZEZBBEC-KRWDZBQOSA-N 1 0 353.470 2.006 20 10 FECDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000181120776 547253521 /nfs/dbraw/zinc/25/35/21/547253521.db2.gz AISSNAKMJGZFJO-UHFFFAOYSA-N 1 0 352.500 2.161 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483323170 561274104 /nfs/dbraw/zinc/27/41/04/561274104.db2.gz KEPDOUAYPXSEIT-CVEARBPZSA-N 1 0 370.497 2.092 20 10 FECDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(F)ccc1O ZINC000186026152 548074135 /nfs/dbraw/zinc/07/41/35/548074135.db2.gz SXOOOQKDULKDRH-SNVBAGLBSA-N 1 0 366.405 2.446 20 10 FECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4n[nH]nc4c3)c2)CC1 ZINC000187399190 548257720 /nfs/dbraw/zinc/25/77/20/548257720.db2.gz SOSPYCYPZQVNBP-UHFFFAOYSA-N 1 0 350.426 2.352 20 10 FECDRO C[N@@H+]1CCC[C@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000248065946 549405030 /nfs/dbraw/zinc/40/50/30/549405030.db2.gz MFJOLVBXBISXKJ-NTPJFSOPSA-N 1 0 369.509 2.479 20 10 FECDRO Nc1ccc(CC(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000262666000 549836841 /nfs/dbraw/zinc/83/68/41/549836841.db2.gz JZYLRFSYUPMTRN-UHFFFAOYSA-N 1 0 366.465 2.276 20 10 FECDRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCSC1 ZINC000267250480 550028760 /nfs/dbraw/zinc/02/87/60/550028760.db2.gz ZOJPNPWNCAUPOX-IBGZPJMESA-N 1 0 360.527 2.299 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1 ZINC000271115789 550341852 /nfs/dbraw/zinc/34/18/52/550341852.db2.gz BOVLQJNXONOCGB-CABCVRRESA-N 1 0 350.459 2.154 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000271983967 550414597 /nfs/dbraw/zinc/41/45/97/550414597.db2.gz KBKFYNFGCVWWCR-MJGOQNOKSA-N 1 0 366.527 2.359 20 10 FECDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CC[NH+](C)CC1 ZINC000273301140 550493787 /nfs/dbraw/zinc/49/37/87/550493787.db2.gz BLKFJWWYTYVRAZ-YOEHRIQHSA-N 1 0 350.463 2.223 20 10 FECDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000273369827 550495827 /nfs/dbraw/zinc/49/58/27/550495827.db2.gz DZRMGNVZTPTJIB-UHFFFAOYSA-N 1 0 364.423 2.481 20 10 FECDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367771 550495831 /nfs/dbraw/zinc/49/58/31/550495831.db2.gz BWJJOWZITNMJBJ-BXUZGUMPSA-N 1 0 370.291 2.145 20 10 FECDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273583392 550504044 /nfs/dbraw/zinc/50/40/44/550504044.db2.gz NCVLGYBEVFLMIY-GJZGRUSLSA-N 1 0 350.463 2.225 20 10 FECDRO COCCOCCOCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000274672153 550548625 /nfs/dbraw/zinc/54/86/25/550548625.db2.gz PGXYHOXIVNYVIZ-SFHVURJKSA-N 1 0 366.502 2.244 20 10 FECDRO C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(C)C ZINC000282197889 551193724 /nfs/dbraw/zinc/19/37/24/551193724.db2.gz CLMCGYINYYCAKO-UHFFFAOYSA-N 1 0 356.854 2.069 20 10 FECDRO CCCC[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1ccccc1O ZINC000282348855 551215042 /nfs/dbraw/zinc/21/50/42/551215042.db2.gz CMKAGJZCXHVWRW-UHFFFAOYSA-N 1 0 361.486 2.121 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000284003198 551465930 /nfs/dbraw/zinc/46/59/30/551465930.db2.gz JZLOEKYJWBIUQV-UHFFFAOYSA-N 1 0 374.529 2.138 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284350603 551530365 /nfs/dbraw/zinc/53/03/65/551530365.db2.gz QBWDIEHJGRLYBN-ROUUACIJSA-N 1 0 373.497 2.264 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286868371 551934814 /nfs/dbraw/zinc/93/48/14/551934814.db2.gz BNVOHVMAYRXURA-CABCVRRESA-N 1 0 370.490 2.138 20 10 FECDRO COc1cccc(C[NH2+]Cc2c(C)nn(CC(=O)OC(C)C)c2C)c1O ZINC000289502124 552331980 /nfs/dbraw/zinc/33/19/80/552331980.db2.gz TULDCVWUOKTMRF-UHFFFAOYSA-N 1 0 361.442 2.456 20 10 FECDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccccc3O)C2=O)c(OC)c1 ZINC000289939506 552402818 /nfs/dbraw/zinc/40/28/18/552402818.db2.gz BAJXUVDTURMWRK-QGZVFWFLSA-N 1 0 356.422 2.300 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCCn2cc(CO)nn2)c(C(F)(F)F)c1 ZINC000289967629 552406893 /nfs/dbraw/zinc/40/68/93/552406893.db2.gz VVYHHYCTMWNFEY-UHFFFAOYSA-N 1 0 357.380 2.035 20 10 FECDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C2)C1 ZINC000293844988 552861652 /nfs/dbraw/zinc/86/16/52/552861652.db2.gz CUMSLAWTOXVFSO-PABBZOGXSA-N 1 0 369.509 2.481 20 10 FECDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4nc(=O)[nH][nH]4)C3)cc2)CC1 ZINC000295220101 552971119 /nfs/dbraw/zinc/97/11/19/552971119.db2.gz QWCCKXVEAARCNT-MRXNPFEDSA-N 1 0 371.485 2.093 20 10 FECDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296562107 553180268 /nfs/dbraw/zinc/18/02/68/553180268.db2.gz UKNXCFGZVPFKCY-OAHLLOKOSA-N 1 0 362.407 2.351 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C)(OCC)CC1)cc2=O ZINC000298206864 553398280 /nfs/dbraw/zinc/39/82/80/553398280.db2.gz DBZUWNDVUKJOJK-UHFFFAOYSA-N 1 0 362.430 2.003 20 10 FECDRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000298725895 553464286 /nfs/dbraw/zinc/46/42/86/553464286.db2.gz OGHSCBBWZKOJCM-GOSISDBHSA-N 1 0 374.529 2.397 20 10 FECDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCc2ccccc2O)c1 ZINC000299492349 553570801 /nfs/dbraw/zinc/57/08/01/553570801.db2.gz JYBSPYHCRVSERK-UHFFFAOYSA-N 1 0 355.438 2.489 20 10 FECDRO CC(C)n1nc2c(cc1=O)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000360075057 554861856 /nfs/dbraw/zinc/86/18/56/554861856.db2.gz KVBHROYIUQJRCJ-UHFFFAOYSA-N 1 0 368.481 2.219 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890340 554893714 /nfs/dbraw/zinc/89/37/14/554893714.db2.gz XXOKMCOSGLIHBW-SZMVWBNQSA-N 1 0 363.477 2.176 20 10 FECDRO CCC[N@@H+]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000361567313 554925091 /nfs/dbraw/zinc/92/50/91/554925091.db2.gz VIECJBVQVJUNKI-RMKNXTFCSA-N 1 0 357.498 2.481 20 10 FECDRO c1cc(N2CCC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)ncn1 ZINC000363009858 555009311 /nfs/dbraw/zinc/00/93/11/555009311.db2.gz AVDTUVCXLINNAX-GOSISDBHSA-N 1 0 353.470 2.072 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363637028 555152009 /nfs/dbraw/zinc/15/20/09/555152009.db2.gz IRBJNSPJADJOMU-AQDCRGGLSA-N 1 0 355.482 2.233 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000363787381 555186319 /nfs/dbraw/zinc/18/63/19/555186319.db2.gz UTOVILJULZXAIN-SJLPKXTDSA-N 1 0 369.513 2.311 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000365533972 555601428 /nfs/dbraw/zinc/60/14/28/555601428.db2.gz DIXYUGKGPOHGGC-HMXCVIKNSA-N 1 0 370.541 2.127 20 10 FECDRO COC[C@H](C)OC[C@@H](O)C[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000365739421 555655989 /nfs/dbraw/zinc/65/59/89/555655989.db2.gz VFXHSXLOTAQZEW-LPHOPBHVSA-N 1 0 366.502 2.008 20 10 FECDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2Cn2nc(C)nc2C)ccc1[N+](=O)[O-] ZINC000365807891 555671887 /nfs/dbraw/zinc/67/18/87/555671887.db2.gz XOIAZFZBECDZGL-AWEZNQCLSA-N 1 0 361.402 2.182 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000367355887 556026393 /nfs/dbraw/zinc/02/63/93/556026393.db2.gz HSPDNWQEIZYGDQ-AWEZNQCLSA-N 1 0 368.499 2.352 20 10 FECDRO Cc1cccc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1O ZINC000367817670 556146882 /nfs/dbraw/zinc/14/68/82/556146882.db2.gz FEFBCCJPKSVCMR-KRWDZBQOSA-N 1 0 351.406 2.354 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369373455 556583353 /nfs/dbraw/zinc/58/33/53/556583353.db2.gz PFLKEGBEWNPLEE-SFHVURJKSA-N 1 0 374.529 2.482 20 10 FECDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2c(O)ccc3ccccc32)C1=O ZINC000371083923 557069898 /nfs/dbraw/zinc/06/98/98/557069898.db2.gz FEGKHRUFGMPULD-JLTOFOAXSA-N 1 0 353.422 2.356 20 10 FECDRO C[C@H]1C[N@@H+](C2CCN(C(=O)NCc3ccc4c(c3)CCN4C)CC2)CCO1 ZINC000372463142 557477287 /nfs/dbraw/zinc/47/72/87/557477287.db2.gz GFBQUGKYJIWVCL-INIZCTEOSA-N 1 0 372.513 2.074 20 10 FECDRO CC(C)(O)C[N@@H+]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000372634726 557526479 /nfs/dbraw/zinc/52/64/79/557526479.db2.gz AKQBKWILTLNXSG-UHFFFAOYSA-N 1 0 357.292 2.433 20 10 FECDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000374258712 557853070 /nfs/dbraw/zinc/85/30/70/557853070.db2.gz WQEFXPAJHWTKPV-RTWAWAEBSA-N 1 0 370.497 2.345 20 10 FECDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)nn1 ZINC000375174373 557987390 /nfs/dbraw/zinc/98/73/90/557987390.db2.gz GJAHPNWAUPEIKJ-AWEZNQCLSA-N 1 0 361.421 2.107 20 10 FECDRO O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])N[C@@H]1CCOc2ccccc21 ZINC000376482235 558178904 /nfs/dbraw/zinc/17/89/04/558178904.db2.gz TXXUOUOOIFRZEX-OAHLLOKOSA-N 1 0 357.366 2.030 20 10 FECDRO COc1cc(Br)cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c1O ZINC000378337235 558532599 /nfs/dbraw/zinc/53/25/99/558532599.db2.gz ZJAKPHONGZLQMG-UHFFFAOYSA-N 1 0 369.259 2.265 20 10 FECDRO O=C1CCCN1CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378340668 558533640 /nfs/dbraw/zinc/53/36/40/558533640.db2.gz ICRRGMZUPFFVEH-UHFFFAOYSA-N 1 0 357.498 2.358 20 10 FECDRO CCc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cccc(OC)c3O)C2)no1 ZINC000378343340 558534437 /nfs/dbraw/zinc/53/44/37/558534437.db2.gz SZJPFIRVFGFNRF-OAHLLOKOSA-N 1 0 360.458 2.443 20 10 FECDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000378550756 558580610 /nfs/dbraw/zinc/58/06/10/558580610.db2.gz HVQAUBVRGKQVDD-HWKANZROSA-N 1 0 360.454 2.072 20 10 FECDRO CC(C)[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(N)=O ZINC000435857367 559931348 /nfs/dbraw/zinc/93/13/48/559931348.db2.gz TYWDQPRYJFJKDQ-HXUWFJFHSA-N 1 0 370.497 2.034 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000472222257 561021272 /nfs/dbraw/zinc/02/12/72/561021272.db2.gz LGNDVBRMZVUJHZ-MRXNPFEDSA-N 1 0 358.486 2.133 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000472242560 561021758 /nfs/dbraw/zinc/02/17/58/561021758.db2.gz UFDPLIRSEILFOM-UHFFFAOYSA-N 1 0 371.529 2.266 20 10 FECDRO COc1cc(OC)c2c(c1)N(C(=O)c1cnn3c1[C@H](C[NH3+])CCC3)CCC2 ZINC000602540165 567992885 /nfs/dbraw/zinc/99/28/85/567992885.db2.gz WRIOQMJURZJLGL-ZDUSSCGKSA-N 1 0 370.453 2.329 20 10 FECDRO CN(C)C(=O)N1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000809712484 674506773 /nfs/dbraw/zinc/50/67/73/674506773.db2.gz OTMICKDIVUOTQD-UHFFFAOYSA-N 1 0 356.264 2.390 20 10 FECDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826181324 608546573 /nfs/dbraw/zinc/54/65/73/608546573.db2.gz UWVDEXPMTIUNID-UHFFFAOYSA-N 1 0 355.398 2.222 20 10 FECDRO Oc1ccccc1C[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826511428 608570432 /nfs/dbraw/zinc/57/04/32/608570432.db2.gz PPSTYKPHAKJCMI-UHFFFAOYSA-N 1 0 366.425 2.447 20 10 FECDRO COc1cccc(CNC(=O)NCC2(SC)CC[NH+](C)CC2)c1O ZINC000812548279 674684439 /nfs/dbraw/zinc/68/44/39/674684439.db2.gz GVWITHDNJQVMJE-UHFFFAOYSA-N 1 0 353.488 2.027 20 10 FECDRO CCC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[N@@H+]1CCOC ZINC000160526309 672291869 /nfs/dbraw/zinc/29/18/69/672291869.db2.gz SEUCIHUAONJMCA-INIZCTEOSA-N 1 0 352.475 2.342 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000186168870 672543055 /nfs/dbraw/zinc/54/30/55/672543055.db2.gz DXKYJUMWBLEVIT-XJKSGUPXSA-N 1 0 352.500 2.346 20 10 FECDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(OCC)ccc2O)CC1 ZINC000236793693 672803601 /nfs/dbraw/zinc/80/36/01/672803601.db2.gz XPYNSRWGKPICDE-UHFFFAOYSA-N 1 0 356.488 2.085 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000289226634 672988559 /nfs/dbraw/zinc/98/85/59/672988559.db2.gz CVCXZXNCLHKXGH-HEHGZKQESA-N 1 0 356.488 2.159 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000289226641 672988612 /nfs/dbraw/zinc/98/86/12/672988612.db2.gz CVCXZXNCLHKXGH-XEZPLFJOSA-N 1 0 356.488 2.159 20 10 FECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(NS(C)(=O)=O)c1 ZINC000725849771 673094629 /nfs/dbraw/zinc/09/46/29/673094629.db2.gz XJTKFEAYGXXFJZ-LLVKDONJSA-N 1 0 364.423 2.343 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1F ZINC000733325237 673410170 /nfs/dbraw/zinc/41/01/70/673410170.db2.gz FZQPTRKLNCZPCV-UHFFFAOYSA-N 1 0 365.474 2.101 20 10 FECDRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000742804722 673738437 /nfs/dbraw/zinc/73/84/37/673738437.db2.gz AZUWBTKYEYFCAW-KBPBESRZSA-N 1 0 353.413 2.325 20 10 FECDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000818224533 675205401 /nfs/dbraw/zinc/20/54/01/675205401.db2.gz MFMROAAKYZVRKH-UHFFFAOYSA-N 1 0 369.487 2.500 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)cc1F ZINC000818985703 675249948 /nfs/dbraw/zinc/24/99/48/675249948.db2.gz YWWAJMFVIVBWMY-GOSISDBHSA-N 1 0 355.454 2.257 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000819377964 675286575 /nfs/dbraw/zinc/28/65/75/675286575.db2.gz XULSGBITWJHJFQ-QFBILLFUSA-N 1 0 350.503 2.138 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H](S(C)(=O)=O)C3)C2)cc1 ZINC000822494115 675488363 /nfs/dbraw/zinc/48/83/63/675488363.db2.gz GRWHLKCYWOSMOJ-JTDSTZFVSA-N 1 0 366.527 2.467 20 10 FECDRO Oc1cc(Br)ccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000824708963 675617623 /nfs/dbraw/zinc/61/76/23/675617623.db2.gz IXJHPXBUIUSVCW-LSDHHAIUSA-N 1 0 355.276 2.186 20 10 FECDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)c2ccccc2)cc1Cl ZINC000825156581 675639150 /nfs/dbraw/zinc/63/91/50/675639150.db2.gz ZRPLMLMMFUCWJM-UHFFFAOYSA-N 1 0 354.859 2.422 20 10 FECDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715540 675665212 /nfs/dbraw/zinc/66/52/12/675665212.db2.gz ADUDIXOQSIXXQC-WFASDCNBSA-N 1 0 374.275 2.001 20 10 FECDRO Cc1cc(O)c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1Cl ZINC000826097335 675681829 /nfs/dbraw/zinc/68/18/29/675681829.db2.gz YUDPSLXHDPTCKH-OAHLLOKOSA-N 1 0 351.878 2.140 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827141606 675733432 /nfs/dbraw/zinc/73/34/32/675733432.db2.gz VCRANLKBZGMELJ-ZWNOBZJWSA-N 1 0 369.259 2.264 20 10 FECDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828306207 675811892 /nfs/dbraw/zinc/81/18/92/675811892.db2.gz OWRHMBUUEUEJIR-SFHVURJKSA-N 1 0 365.543 2.499 20 10 FECDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1SC ZINC000830423861 677038589 /nfs/dbraw/zinc/03/85/89/677038589.db2.gz XBVIJGVSWMCOJV-LMMKCTJWSA-N 1 0 365.543 2.210 20 10 FECDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830663625 677053235 /nfs/dbraw/zinc/05/32/35/677053235.db2.gz AMTAGHYXUPVFEP-WOSRLPQWSA-N 1 0 353.413 2.371 20 10 FECDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146647 680741735 /nfs/dbraw/zinc/74/17/35/680741735.db2.gz PISUODMBBXUBBZ-UGSOOPFHSA-N 1 0 351.441 2.374 20 10 FECDRO C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)CC[N@@H+]1C ZINC000764791052 680821375 /nfs/dbraw/zinc/82/13/75/680821375.db2.gz MBHWPGUTHXKIIR-CMPLNLGQSA-N 1 0 356.264 2.437 20 10 FECDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765790611 680855436 /nfs/dbraw/zinc/85/54/36/680855436.db2.gz VVCWKMNLRCPMML-CVEARBPZSA-N 1 0 351.466 2.034 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1O ZINC000840961900 680857384 /nfs/dbraw/zinc/85/73/84/680857384.db2.gz FXXDYWAXRWVFDR-GXFFZTMASA-N 1 0 360.248 2.040 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000841041381 680860707 /nfs/dbraw/zinc/86/07/07/680860707.db2.gz HQQMMIFQFIDOKV-OAHLLOKOSA-N 1 0 353.513 2.007 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000748647003 679983422 /nfs/dbraw/zinc/98/34/22/679983422.db2.gz KNONTZGFTRTNHQ-GOSISDBHSA-N 1 0 350.532 2.331 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000835052832 680291489 /nfs/dbraw/zinc/29/14/89/680291489.db2.gz HWNRFORQZZHOOI-HPFMTEOYSA-N 1 0 351.516 2.170 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@H](O)CSC[C@@H]3CCCO3)CC2)cc1 ZINC000754862274 680385142 /nfs/dbraw/zinc/38/51/42/680385142.db2.gz LMPQMHOWWNSNOS-HKUYNNGSSA-N 1 0 366.527 2.090 20 10 FECDRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1O ZINC000756443485 680478956 /nfs/dbraw/zinc/47/89/56/680478956.db2.gz HWPWKSPZVSUCLT-CYBMUJFWSA-N 1 0 352.431 2.302 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000841765429 680910841 /nfs/dbraw/zinc/91/08/41/680910841.db2.gz YBPQISLOMXNDNM-ZBFHGGJFSA-N 1 0 353.894 2.103 20 10 FECDRO CN(CCC[NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841783137 680912156 /nfs/dbraw/zinc/91/21/56/680912156.db2.gz WMKKTHLGBOFWOI-UHFFFAOYSA-N 1 0 356.417 2.247 20 10 FECDRO C[C@@H](C[NH3+])N(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782834 680912171 /nfs/dbraw/zinc/91/21/71/680912171.db2.gz SBTYVGFVIPFKCO-LBPRGKRZSA-N 1 0 356.417 2.245 20 10 FECDRO COc1cc(Br)cc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1O ZINC000841892033 680916832 /nfs/dbraw/zinc/91/68/32/680916832.db2.gz SAFFZOWGEXJDAH-NEPJUHHUSA-N 1 0 373.291 2.050 20 10 FECDRO CCc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000842783828 680966194 /nfs/dbraw/zinc/96/61/94/680966194.db2.gz DCSWEMNRCTXFRF-OAHLLOKOSA-N 1 0 353.513 2.355 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)s1 ZINC000842785749 680966467 /nfs/dbraw/zinc/96/64/67/680966467.db2.gz KIZCOJMHCSVPNP-OAHLLOKOSA-N 1 0 353.513 2.409 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842883747 680973301 /nfs/dbraw/zinc/97/33/01/680973301.db2.gz NOSNZGHEJTVILN-OCCSQVGLSA-N 1 0 363.435 2.286 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842883749 680973378 /nfs/dbraw/zinc/97/33/78/680973378.db2.gz NOSNZGHEJTVILN-TZMCWYRMSA-N 1 0 363.435 2.286 20 10 FECDRO COC(=O)c1sccc1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349824 680999307 /nfs/dbraw/zinc/99/93/07/680999307.db2.gz FEVROFXIICPOCV-UHFFFAOYSA-N 1 0 359.451 2.385 20 10 FECDRO [NH3+]CCc1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000843485707 681006388 /nfs/dbraw/zinc/00/63/88/681006388.db2.gz QHCBLVGIPCBBEI-AWEZNQCLSA-N 1 0 361.467 2.171 20 10 FECDRO COC(=O)CCCN1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000845973285 681167787 /nfs/dbraw/zinc/16/77/87/681167787.db2.gz YJQPTPQTKZOJNG-AWEZNQCLSA-N 1 0 350.459 2.469 20 10 FECDRO O=C(NCCC1CC[NH2+]CC1)NCc1ccc(N2CCSCC2)cc1 ZINC000846135082 681188390 /nfs/dbraw/zinc/18/83/90/681188390.db2.gz AMEGJKAPCYGKST-UHFFFAOYSA-N 1 0 362.543 2.429 20 10 FECDRO O=C(NCCC1CC[NH2+]CC1)NCc1cc(Br)ccc1O ZINC000846214303 681202098 /nfs/dbraw/zinc/20/20/98/681202098.db2.gz LSQYMDAMBBQLKC-UHFFFAOYSA-N 1 0 356.264 2.344 20 10 FECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(OC)c2O)[C@H]1OC ZINC000775978420 681354499 /nfs/dbraw/zinc/35/44/99/681354499.db2.gz LJIIEADLGKFJES-NJZAAPMLSA-N 1 0 360.248 2.445 20 10 FECDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000776813275 681438174 /nfs/dbraw/zinc/43/81/74/681438174.db2.gz XHRQPKYPGZJVEY-UKRRQHHQSA-N 1 0 360.248 2.065 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)c1O ZINC000848531257 681572550 /nfs/dbraw/zinc/57/25/50/681572550.db2.gz MWSRFCOYSYBMBV-CABZTGNLSA-N 1 0 357.248 2.435 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000848552361 681576307 /nfs/dbraw/zinc/57/63/07/681576307.db2.gz LDJSFVQWVGKXSP-VHSXEESVSA-N 1 0 357.248 2.340 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c1O ZINC000848549796 681576351 /nfs/dbraw/zinc/57/63/51/681576351.db2.gz UNTMFTRLSUZTOS-SDDRHHMPSA-N 1 0 374.275 2.459 20 10 FECDRO CCc1cccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1O ZINC000848899835 681639869 /nfs/dbraw/zinc/63/98/69/681639869.db2.gz UZMURQKAFTYFPA-UHFFFAOYSA-N 1 0 366.405 2.358 20 10 FECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850073186 681846848 /nfs/dbraw/zinc/84/68/48/681846848.db2.gz XNGDCPYNSZLLSR-APHBMKBZSA-N 1 0 350.434 2.074 20 10 FECDRO C[C@@H](CSCCF)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850435469 681901435 /nfs/dbraw/zinc/90/14/35/681901435.db2.gz OFCSWGWEJHZMPM-AWEZNQCLSA-N 1 0 360.520 2.102 20 10 FECDRO CC[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(Br)ccc1O ZINC000850507420 681909654 /nfs/dbraw/zinc/90/96/54/681909654.db2.gz JJFMNQLFWIOGHA-HOCLYGCPSA-N 1 0 374.275 2.363 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000783714121 682168771 /nfs/dbraw/zinc/16/87/71/682168771.db2.gz LUACQSZQGAYCJB-UHFFFAOYSA-N 1 0 357.292 2.352 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000792993172 682855261 /nfs/dbraw/zinc/85/52/61/682855261.db2.gz WDEIYQSMYRRAEU-GFCCVEGCSA-N 1 0 350.406 2.438 20 10 FECDRO O=C1[C@H]([NH2+]Cc2c(O)cccc2Br)CCN1CC(F)(F)F ZINC000858134262 682937004 /nfs/dbraw/zinc/93/70/04/682937004.db2.gz NJBSLUYYQIPZSJ-SNVBAGLBSA-N 1 0 367.165 2.408 20 10 FECDRO Fc1cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)ccc1N1CCOCC1 ZINC000858231666 682947366 /nfs/dbraw/zinc/94/73/66/682947366.db2.gz NZYVVZUCIJSIDX-HNNXBMFYSA-N 1 0 357.420 2.481 20 10 FECDRO C[C@H](NC(=S)NC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920863976 683374679 /nfs/dbraw/zinc/37/46/79/683374679.db2.gz GGDORKQQENGZOR-HNNXBMFYSA-N 1 0 362.543 2.143 20 10 FECDRO COc1cc(C[NH2+]C(C)(C)CNS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000922635930 683759150 /nfs/dbraw/zinc/75/91/50/683759150.db2.gz DBKYNBBBPDFSCO-UHFFFAOYSA-N 1 0 358.504 2.116 20 10 FECDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922953365 683810760 /nfs/dbraw/zinc/81/07/60/683810760.db2.gz APGSUIDHJPSUKX-CYBMUJFWSA-N 1 0 355.276 2.498 20 10 FECDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000865739651 684021339 /nfs/dbraw/zinc/02/13/39/684021339.db2.gz YMAWQAHHSBBPMR-LRDDRELGSA-N 1 0 357.292 2.271 20 10 FECDRO Cc1csc(C)c1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000923634981 684318481 /nfs/dbraw/zinc/31/84/81/684318481.db2.gz LXWOWHIQJFTHDY-HNNXBMFYSA-N 1 0 353.513 2.409 20 10 FECDRO [NH3+]CC[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000923745260 684345709 /nfs/dbraw/zinc/34/57/09/684345709.db2.gz MIKHYHYMPSUFHK-LBPRGKRZSA-N 1 0 374.491 2.408 20 10 FECDRO O=S1(=O)CCN(c2ccc(CNc3cc[nH+]cc3C3CC3)cc2)CC1 ZINC000872596329 684985409 /nfs/dbraw/zinc/98/54/09/684985409.db2.gz FGJZHORCAQVUJN-UHFFFAOYSA-N 1 0 357.479 2.228 20 10 FECDRO CCSc1c[nH]c(=O)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000911666690 685241443 /nfs/dbraw/zinc/24/14/43/685241443.db2.gz KBBPAOPHYUSFTL-MRXNPFEDSA-N 1 0 360.483 2.395 20 10 FECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000876945825 686299023 /nfs/dbraw/zinc/29/90/23/686299023.db2.gz JUASARSBAWGXFQ-LJQANCHMSA-N 1 0 352.450 2.194 20 10 FECDRO O=C1C[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCN1 ZINC000877033894 686315304 /nfs/dbraw/zinc/31/53/04/686315304.db2.gz QWRFWEPVQFDTHV-HZPDHXFCSA-N 1 0 351.878 2.268 20 10 FECDRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000879650837 686879640 /nfs/dbraw/zinc/87/96/40/686879640.db2.gz SNBITEJMOCLJOO-LBPRGKRZSA-N 1 0 351.472 2.101 20 10 FECDRO COc1ccc(N2CCC([NH2+]CC[C@H]3CCCS3(=O)=O)CC2)cc1 ZINC000883297265 687601750 /nfs/dbraw/zinc/60/17/50/687601750.db2.gz KQBDPMVMRTYXAQ-GOSISDBHSA-N 1 0 352.500 2.221 20 10 FECDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cscn1 ZINC000883772175 687722904 /nfs/dbraw/zinc/72/29/04/687722904.db2.gz JHHLUHAMOLQYAS-CQSZACIVSA-N 1 0 359.499 2.455 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CC3(F)F)cc2)CC1 ZINC000883776199 687724155 /nfs/dbraw/zinc/72/41/55/687724155.db2.gz TXQBZECNYSXRHL-QGZVFWFLSA-N 1 0 352.429 2.283 20 10 FECDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccns1 ZINC000883797598 687730444 /nfs/dbraw/zinc/73/04/44/687730444.db2.gz FNAOVVSNFMASDD-AWEZNQCLSA-N 1 0 359.499 2.455 20 10 FECDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000886293831 688227045 /nfs/dbraw/zinc/22/70/45/688227045.db2.gz UZUIIHKRDDMCQZ-YGRLFVJLSA-N 1 0 350.406 2.294 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCc4cccnc43)cc2)CC1 ZINC000886526723 688272196 /nfs/dbraw/zinc/27/21/96/688272196.db2.gz QXNLIDTWPWBNPY-SFHVURJKSA-N 1 0 357.479 2.094 20 10 FECDRO CC[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(Cl)ccc1O ZINC000886698454 688292341 /nfs/dbraw/zinc/29/23/41/688292341.db2.gz FZXUIIZGVRMPIK-CYBMUJFWSA-N 1 0 361.833 2.070 20 10 FECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891566172 689078892 /nfs/dbraw/zinc/07/88/92/689078892.db2.gz SHGDBWJEOSHCKH-UKRRQHHQSA-N 1 0 358.408 2.340 20 10 FECDRO COc1ccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)c(O)c1OC ZINC000892752338 689238662 /nfs/dbraw/zinc/23/86/62/689238662.db2.gz GTCZCLXYICIPQK-UHFFFAOYSA-N 1 0 365.451 2.363 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000893009142 689280746 /nfs/dbraw/zinc/28/07/46/689280746.db2.gz BPMNJHQGXNOUMC-HNNXBMFYSA-N 1 0 367.877 2.488 20 10 FECDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c(O)c1OC ZINC000893161686 689306169 /nfs/dbraw/zinc/30/61/69/689306169.db2.gz XLGSNTFFEIASIH-JKSUJKDBSA-N 1 0 350.459 2.142 20 10 FECDRO COc1ccc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1OC ZINC000893210130 689313745 /nfs/dbraw/zinc/31/37/45/689313745.db2.gz XPMFHXHIQAGLTO-NSHDSACASA-N 1 0 362.348 2.052 20 10 FECDRO COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F ZINC000894208796 689486892 /nfs/dbraw/zinc/48/68/92/689486892.db2.gz LNSJKAUMTBNFKD-RCBQFDQVSA-N 1 0 354.397 2.228 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1OC ZINC000895819555 689775507 /nfs/dbraw/zinc/77/55/07/689775507.db2.gz ASWACQNOHBQCSR-VODUFIJXSA-N 1 0 351.443 2.472 20 10 FECDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c1O ZINC000897346582 690009891 /nfs/dbraw/zinc/00/98/91/690009891.db2.gz XATDWNAOGCCZPD-GFCCVEGCSA-N 1 0 351.248 2.239 20 10 FECDRO CN(C)c1ccc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000897618254 690049916 /nfs/dbraw/zinc/04/99/16/690049916.db2.gz OLXPRXLJXZIELZ-BETUJISGSA-N 1 0 362.417 2.248 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000897692210 690064062 /nfs/dbraw/zinc/06/40/62/690064062.db2.gz PTBDPDARVDKKNS-LJQANCHMSA-N 1 0 350.459 2.471 20 10 FECDRO Cc1cc(Br)cc(CN2CCN(C)CC[N@@H+](C)CC2)c1O ZINC000897857548 690091504 /nfs/dbraw/zinc/09/15/04/690091504.db2.gz ZWIKWNKDOSWQGV-UHFFFAOYSA-N 1 0 356.308 2.142 20 10 FECDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)N(C)C)cc1 ZINC000898450902 690185728 /nfs/dbraw/zinc/18/57/28/690185728.db2.gz VKMQGWUATHDQQT-NEWSRXKRSA-N 1 0 367.559 2.301 20 10 FECDRO COc1cccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1O ZINC000898724620 690238012 /nfs/dbraw/zinc/23/80/12/690238012.db2.gz OSFBWQFQULSPNM-LLVKDONJSA-N 1 0 352.232 2.464 20 10 FECDRO Cc1cc(CNC(=S)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000899724320 690413421 /nfs/dbraw/zinc/41/34/21/690413421.db2.gz MOONZAPUMVXJKJ-KRWDZBQOSA-N 1 0 361.515 2.316 20 10 FECDRO O[C@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(O)CCC1 ZINC000905133033 691072362 /nfs/dbraw/zinc/07/23/62/691072362.db2.gz DVOJPKNLFMGKNA-XJKSGUPXSA-N 1 0 356.413 2.122 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccncc3)CC2)cc1 ZINC000024088662 539725951 /nfs/dbraw/zinc/72/59/51/539725951.db2.gz OWANOSLLDQVMDE-UHFFFAOYSA-N 1 0 354.454 2.032 20 10 FECDRO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466734 540467403 /nfs/dbraw/zinc/46/74/03/540467403.db2.gz VGBXSIPTZWUVIC-QGZVFWFLSA-N 1 0 363.502 2.139 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081765550 542676338 /nfs/dbraw/zinc/67/63/38/542676338.db2.gz SCJILXMLBMUXOX-TZIWHRDSSA-N 1 0 371.525 2.386 20 10 FECDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090663637 542787752 /nfs/dbraw/zinc/78/77/52/542787752.db2.gz CXROBRMEBKODIA-OAHLLOKOSA-N 1 0 352.450 2.102 20 10 FECDRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093454657 542931228 /nfs/dbraw/zinc/93/12/28/542931228.db2.gz AYLQYEDFOZZDMC-HXUWFJFHSA-N 1 0 370.497 2.202 20 10 FECDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000097174772 543006921 /nfs/dbraw/zinc/00/69/21/543006921.db2.gz WHBMWTYXSWPCNB-IBGZPJMESA-N 1 0 374.529 2.397 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@H](O)COCc3cccs3)CC2)cc1 ZINC000104731284 543139997 /nfs/dbraw/zinc/13/99/97/543139997.db2.gz VHWJYDHFZFQVKK-KRWDZBQOSA-N 1 0 362.495 2.456 20 10 FECDRO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000111838076 543418813 /nfs/dbraw/zinc/41/88/13/543418813.db2.gz ZKLMHHWEOMTVHD-UHFFFAOYSA-N 1 0 360.502 2.195 20 10 FECDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000115439775 543567319 /nfs/dbraw/zinc/56/73/19/543567319.db2.gz GLXNOYBSCNTHSZ-VQFGERMISA-N 1 0 357.498 2.337 20 10 FECDRO COc1cccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1O ZINC000121899957 543700873 /nfs/dbraw/zinc/70/08/73/543700873.db2.gz FNRDGZOTZDGENN-UHFFFAOYSA-N 1 0 352.438 2.366 20 10 FECDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000247500707 549344715 /nfs/dbraw/zinc/34/47/15/549344715.db2.gz VADBEIADBONWNZ-NSSMGOSVSA-N 1 0 355.482 2.232 20 10 FECDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000134370830 544305030 /nfs/dbraw/zinc/30/50/30/544305030.db2.gz LQHLTYFVVWONRP-VQTJNVASSA-N 1 0 374.529 2.320 20 10 FECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1=COCCO1 ZINC000134265867 544301015 /nfs/dbraw/zinc/30/10/15/544301015.db2.gz IMAYDQSZUROHBH-CQSZACIVSA-N 1 0 352.818 2.014 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134934376 544328555 /nfs/dbraw/zinc/32/85/55/544328555.db2.gz HVGDNNVRYWKKCO-WIYYLYMNSA-N 1 0 370.541 2.318 20 10 FECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000806169632 674369699 /nfs/dbraw/zinc/36/96/99/674369699.db2.gz IMFQVNGIBOUBCH-NVXWUHKLSA-N 1 0 368.547 2.064 20 10 FECDRO COc1cccc(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)c1O ZINC000155452526 545527670 /nfs/dbraw/zinc/52/76/70/545527670.db2.gz MDNYMMQOCSMSIT-UHFFFAOYSA-N 1 0 369.465 2.078 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171388403 546206135 /nfs/dbraw/zinc/20/61/35/546206135.db2.gz QOWHRABWKQKALC-UHFFFAOYSA-N 1 0 358.530 2.177 20 10 FECDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175862047 546363736 /nfs/dbraw/zinc/36/37/36/546363736.db2.gz FQJYDUORSLVWQM-IBGZPJMESA-N 1 0 372.513 2.151 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C=O)[nH]3)cc2F)CC1 ZINC000176299764 546429415 /nfs/dbraw/zinc/42/94/15/546429415.db2.gz PAAINVZCNGOVNW-UHFFFAOYSA-N 1 0 358.417 2.038 20 10 FECDRO Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C)n1-c1ccccn1 ZINC000178115246 546741808 /nfs/dbraw/zinc/74/18/08/546741808.db2.gz NEMLMBRMMWAEAQ-GOSISDBHSA-N 1 0 368.481 2.283 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000180727862 547168290 /nfs/dbraw/zinc/16/82/90/547168290.db2.gz VSFXBVPPKJFIKL-SCLBCKFNSA-N 1 0 361.442 2.089 20 10 FECDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000181011064 547229520 /nfs/dbraw/zinc/22/95/20/547229520.db2.gz BNFIIRSYYJIPCI-LLVKDONJSA-N 1 0 370.291 2.016 20 10 FECDRO C[NH+](C)CCOc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000181028260 547233343 /nfs/dbraw/zinc/23/33/43/547233343.db2.gz RNVLEQMYCHNIMJ-UXBLZVDNSA-N 1 0 356.422 2.368 20 10 FECDRO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183045777 547591473 /nfs/dbraw/zinc/59/14/73/547591473.db2.gz AHBZCQITCYTDRW-QWHCGFSZSA-N 1 0 362.442 2.280 20 10 FECDRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(Br)ccc1O ZINC000185002327 547915066 /nfs/dbraw/zinc/91/50/66/547915066.db2.gz ZJFNEWRYLGOCGD-JTQLQIEISA-N 1 0 357.248 2.087 20 10 FECDRO O=C1[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1Cc1ccc(F)cc1 ZINC000191758607 548350273 /nfs/dbraw/zinc/35/02/73/548350273.db2.gz CTMOWCQWODEBAB-OAHLLOKOSA-N 1 0 358.369 2.151 20 10 FECDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000237452639 548827019 /nfs/dbraw/zinc/82/70/19/548827019.db2.gz QEDTZNISAALQFZ-HXUWFJFHSA-N 1 0 369.465 2.283 20 10 FECDRO Cc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000262481891 549823409 /nfs/dbraw/zinc/82/34/09/549823409.db2.gz ZQNXESQVURXFGC-IBGZPJMESA-N 1 0 370.472 2.353 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000263739158 549928864 /nfs/dbraw/zinc/92/88/64/549928864.db2.gz ZZBWXHIGWOLXSF-HNNXBMFYSA-N 1 0 359.348 2.064 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264657195 549999774 /nfs/dbraw/zinc/99/97/74/549999774.db2.gz SCJFTGAOJQRKLJ-QYDWLILUSA-N 1 0 355.482 2.137 20 10 FECDRO COc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1C ZINC000264821826 550002059 /nfs/dbraw/zinc/00/20/59/550002059.db2.gz NHTZPPNTIMQYHQ-UHFFFAOYSA-N 1 0 362.442 2.358 20 10 FECDRO COc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1O ZINC000265826179 550014537 /nfs/dbraw/zinc/01/45/37/550014537.db2.gz YXWYUVOGCIYJDT-RBUKOAKNSA-N 1 0 356.466 2.373 20 10 FECDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000267292868 550029286 /nfs/dbraw/zinc/02/92/86/550029286.db2.gz CRBOCTDCTZTPKH-MJGOQNOKSA-N 1 0 360.502 2.195 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000271724551 550397850 /nfs/dbraw/zinc/39/78/50/550397850.db2.gz XJJXGGVRJAMLBD-HXUWFJFHSA-N 1 0 355.482 2.424 20 10 FECDRO COc1cc(N2CC[NH+](CCn3ccnc3C)CC2)cc(OC)c1OC ZINC000273611990 550505166 /nfs/dbraw/zinc/50/51/66/550505166.db2.gz OCDZLLOWOIKBBG-UHFFFAOYSA-N 1 0 360.458 2.040 20 10 FECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000273613449 550505265 /nfs/dbraw/zinc/50/52/65/550505265.db2.gz WVDGIIYDKZFFDT-GOEBONIOSA-N 1 0 350.459 2.066 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000275313818 550571533 /nfs/dbraw/zinc/57/15/33/550571533.db2.gz JSWZOOOMUTYDAW-GXTWGEPZSA-N 1 0 356.308 2.360 20 10 FECDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000276279218 550577981 /nfs/dbraw/zinc/57/79/81/550577981.db2.gz RILRYOZSRYROBY-MRXNPFEDSA-N 1 0 374.529 2.138 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]CC2(N3CCOCC3)CC(OCC)C2)c1 ZINC000277677123 550700496 /nfs/dbraw/zinc/70/04/96/550700496.db2.gz IWBWLXMTOCWOOX-UHFFFAOYSA-N 1 0 364.486 2.150 20 10 FECDRO O=CN1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000278259893 550766225 /nfs/dbraw/zinc/76/62/25/550766225.db2.gz NPLGYUFCXFIVDQ-UHFFFAOYSA-N 1 0 371.403 2.252 20 10 FECDRO COc1c(O)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278302424 550770760 /nfs/dbraw/zinc/77/07/60/550770760.db2.gz WAMPXWGLMIZDIL-GFCCVEGCSA-N 1 0 352.387 2.473 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccnn3C(C)C)CC2)cc1 ZINC000279815293 550932140 /nfs/dbraw/zinc/93/21/40/550932140.db2.gz FZUHTJHAFLTZOX-UHFFFAOYSA-N 1 0 357.502 2.384 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@](C)(CC)OC)cc2F)CC1 ZINC000280734664 551026614 /nfs/dbraw/zinc/02/66/14/551026614.db2.gz NOSYRAVZOMLZNC-IBGZPJMESA-N 1 0 351.466 2.399 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286868375 551935011 /nfs/dbraw/zinc/93/50/11/551935011.db2.gz BNVOHVMAYRXURA-GJZGRUSLSA-N 1 0 370.490 2.138 20 10 FECDRO C[C@@H](O)c1ncc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000289053577 552258972 /nfs/dbraw/zinc/25/89/72/552258972.db2.gz BLZHLOAWSBFRPY-GFCCVEGCSA-N 1 0 351.447 2.462 20 10 FECDRO c1nc(CNCc2ccc(N3CCOCC3)cc2)sc1C1OCCO1 ZINC000289198763 552280928 /nfs/dbraw/zinc/28/09/28/552280928.db2.gz HNKIBDMBVKJCEX-UHFFFAOYSA-N 1 0 361.467 2.315 20 10 FECDRO CN(CC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC[NH+](C)CC1 ZINC000289543699 552338286 /nfs/dbraw/zinc/33/82/86/552338286.db2.gz WZFKGQZUCIMBML-UHFFFAOYSA-N 1 0 370.881 2.412 20 10 FECDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000290121040 552430438 /nfs/dbraw/zinc/43/04/38/552430438.db2.gz JIYHBPYGOCQHIU-QFBILLFUSA-N 1 0 363.477 2.037 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000290368026 552467939 /nfs/dbraw/zinc/46/79/39/552467939.db2.gz HFTKFJUUCVTXDN-PXNSSMCTSA-N 1 0 356.466 2.373 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)cc1OC ZINC000291198924 552598945 /nfs/dbraw/zinc/59/89/45/552598945.db2.gz HJYCBELRKYFNBH-ZDUSSCGKSA-N 1 0 360.385 2.444 20 10 FECDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296383365 553151188 /nfs/dbraw/zinc/15/11/88/553151188.db2.gz KOMLZZAFNPIWTF-QLFBSQMISA-N 1 0 351.466 2.444 20 10 FECDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c(F)ccc(O)c1O ZINC000296623489 553189395 /nfs/dbraw/zinc/18/93/95/553189395.db2.gz HGFSVJBDTRRYON-OAHLLOKOSA-N 1 0 374.412 2.258 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3ccc4nncn4n3)cc2F)CC1 ZINC000297156151 553257143 /nfs/dbraw/zinc/25/71/43/553257143.db2.gz OPHCPWRIGUPUOO-UHFFFAOYSA-N 1 0 355.421 2.017 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360078396 554862094 /nfs/dbraw/zinc/86/20/94/554862094.db2.gz HXILEPZRDVBMTN-DOTOQJQBSA-N 1 0 373.476 2.325 20 10 FECDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4ccc(N(C)C)cc4)C[C@@H]3C2)no1 ZINC000362086392 554949229 /nfs/dbraw/zinc/94/92/29/554949229.db2.gz LIDXMDXORUNJOQ-IAGOWNOFSA-N 1 0 355.486 2.262 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCOCC2)cc1 ZINC000363836979 555196486 /nfs/dbraw/zinc/19/64/86/555196486.db2.gz ZEXUOLHBOQLXTD-OXQOHEQNSA-N 1 0 370.497 2.440 20 10 FECDRO COc1ccc(N2CCC(N(C)S(=O)(=O)N3CCC[C@@H]3C)CC2)cc1 ZINC000364220460 555272774 /nfs/dbraw/zinc/27/27/74/555272774.db2.gz UQOUJPMLEIAPOE-HNNXBMFYSA-N 1 0 367.515 2.325 20 10 FECDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(O)c1O ZINC000365007655 555463351 /nfs/dbraw/zinc/46/33/51/555463351.db2.gz AYSJSBLRGQIMGW-INIZCTEOSA-N 1 0 355.438 2.443 20 10 FECDRO CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1=O ZINC000366529173 555869135 /nfs/dbraw/zinc/86/91/35/555869135.db2.gz NTIOQIJWXLAOIP-HXUWFJFHSA-N 1 0 353.422 2.450 20 10 FECDRO O=C(NC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)C1CCC1 ZINC000367422749 556044299 /nfs/dbraw/zinc/04/42/99/556044299.db2.gz MVKTVJZVNKVHQZ-UHFFFAOYSA-N 1 0 357.498 2.404 20 10 FECDRO OCC1([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]2CCCO2)CCC1 ZINC000367960151 556182433 /nfs/dbraw/zinc/18/24/33/556182433.db2.gz XIIOTMICVUNNHV-UXHICEINSA-N 1 0 360.498 2.323 20 10 FECDRO CCc1nc(CN2C[C@@H]3C[N@H+]([C@@H](C)c4cc(OC)ccc4O)C[C@@H]3C2)no1 ZINC000368017603 556196489 /nfs/dbraw/zinc/19/64/89/556196489.db2.gz HVUZCFXKTQLQDE-SOUVJXGZSA-N 1 0 372.469 2.471 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1OC ZINC000368268708 556264263 /nfs/dbraw/zinc/26/42/63/556264263.db2.gz ZWBPWWGAOZLOFI-CQSZACIVSA-N 1 0 351.443 2.427 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000368629809 556368683 /nfs/dbraw/zinc/36/86/83/556368683.db2.gz BJEDXDCGLHAXIS-IBGZPJMESA-N 1 0 352.482 2.328 20 10 FECDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000369410568 556594399 /nfs/dbraw/zinc/59/43/99/556594399.db2.gz XRWXQNWIKZPXTK-UHFFFAOYSA-N 1 0 367.497 2.441 20 10 FECDRO Cc1occc1C(=O)N1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000370773086 556963484 /nfs/dbraw/zinc/96/34/84/556963484.db2.gz MBVFPAWYPFPKIX-UHFFFAOYSA-N 1 0 358.394 2.417 20 10 FECDRO CN1CCc2cc(C[NH2+][C@@H]3CCN(c4ccccc4C(N)=O)C3)ccc21 ZINC000370964809 557029482 /nfs/dbraw/zinc/02/94/82/557029482.db2.gz HHHNSAUMWAREEU-QGZVFWFLSA-N 1 0 350.466 2.146 20 10 FECDRO O=C(C[N@@H+]1CC2CCC1CC2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000371392004 557171588 /nfs/dbraw/zinc/17/15/88/557171588.db2.gz HDCFPZSCSQMTLN-UHFFFAOYSA-N 1 0 361.461 2.153 20 10 FECDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000374431222 557883093 /nfs/dbraw/zinc/88/30/93/557883093.db2.gz WQGORHJVQFSNIS-JTQLWBJKSA-N 1 0 355.482 2.407 20 10 FECDRO O[C@@H]1[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC12CCOCC2 ZINC000374685514 557916772 /nfs/dbraw/zinc/91/67/72/557916772.db2.gz DVBBPOQPVPAZKL-AZUAARDMSA-N 1 0 360.498 2.181 20 10 FECDRO CCc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cc(OC)ccc3O)C2)no1 ZINC000374999756 557961909 /nfs/dbraw/zinc/96/19/09/557961909.db2.gz RWSVJAXMMLWSGJ-OAHLLOKOSA-N 1 0 360.458 2.443 20 10 FECDRO C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000375835206 558087047 /nfs/dbraw/zinc/08/70/47/558087047.db2.gz RYQWUXJWZKEELH-GXTWGEPZSA-N 1 0 353.413 2.229 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375845471 558088414 /nfs/dbraw/zinc/08/84/14/558088414.db2.gz BOGVYUKRRLNPOM-RDJZCZTQSA-N 1 0 373.476 2.325 20 10 FECDRO CCOc1cccc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1O ZINC000377965040 558453612 /nfs/dbraw/zinc/45/36/12/558453612.db2.gz XBKARTZTIFALHN-UHFFFAOYSA-N 1 0 368.499 2.227 20 10 FECDRO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)C[C@@H](C)O1 ZINC000378498452 558570244 /nfs/dbraw/zinc/57/02/44/558570244.db2.gz SCQBOWCITYTCBF-ZIAGYGMSSA-N 1 0 350.434 2.379 20 10 FECDRO COc1cc(O)c(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1OC ZINC000529645357 562380062 /nfs/dbraw/zinc/38/00/62/562380062.db2.gz SYZHFFRSIROXDH-UHFFFAOYSA-N 1 0 373.453 2.313 20 10 FECDRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccccc1O ZINC000736793091 598617516 /nfs/dbraw/zinc/61/75/16/598617516.db2.gz RLYAIHGPLVOVTK-UHFFFAOYSA-N 1 0 352.398 2.033 20 10 FECDRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1O ZINC000736791249 598617892 /nfs/dbraw/zinc/61/78/92/598617892.db2.gz BTZINAWTJGZBQZ-UHFFFAOYSA-N 1 0 358.427 2.094 20 10 FECDRO CC[NH+]1CCN(c2ccc(C[NH2+]C3CCN(C(=O)[O-])CC3)cc2F)CC1 ZINC000827227733 604191569 /nfs/dbraw/zinc/19/15/69/604191569.db2.gz HRVMYACHHZFZRB-UHFFFAOYSA-N 1 0 364.465 2.200 20 10 FECDRO C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000833812607 605993123 /nfs/dbraw/zinc/99/31/23/605993123.db2.gz KPUJHAOMCIYRGZ-AEFFLSMTSA-N 1 0 360.502 2.307 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)c1 ZINC000826210557 608500490 /nfs/dbraw/zinc/50/04/90/608500490.db2.gz WKBJHQLXJYQKCB-NSHDSACASA-N 1 0 355.398 2.440 20 10 FECDRO Oc1ccccc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826511072 608873334 /nfs/dbraw/zinc/87/33/34/608873334.db2.gz AUNLXHWQGKOLGH-UHFFFAOYSA-N 1 0 350.426 2.285 20 10 FECDRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cc(Cl)ccc1O ZINC000816624745 675069467 /nfs/dbraw/zinc/06/94/67/675069467.db2.gz GMMRWNGUPXFIJL-UHFFFAOYSA-N 1 0 370.858 2.204 20 10 FECDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCNS(C)(=O)=O)cc1 ZINC000051188443 670293276 /nfs/dbraw/zinc/29/32/76/670293276.db2.gz BAAVWNLKIFHIMX-UHFFFAOYSA-N 1 0 361.511 2.352 20 10 FECDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000093531368 670753195 /nfs/dbraw/zinc/75/31/95/670753195.db2.gz FTSZUPSKPOOKMM-KRWDZBQOSA-N 1 0 353.532 2.437 20 10 FECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCCC1 ZINC000134266717 672121468 /nfs/dbraw/zinc/12/14/68/672121468.db2.gz MQIRTPFSJZPSQM-HNNXBMFYSA-N 1 0 352.862 2.431 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000179571428 672403418 /nfs/dbraw/zinc/40/34/18/672403418.db2.gz ANHKZMQJRXCGAQ-CYBMUJFWSA-N 1 0 360.248 2.137 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c1 ZINC000182448121 672445611 /nfs/dbraw/zinc/44/56/11/672445611.db2.gz GPAGOJABABVEJN-ZDUSSCGKSA-N 1 0 350.440 2.030 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000186166919 672543006 /nfs/dbraw/zinc/54/30/06/672543006.db2.gz QMPGXSCHBGBWNY-KBPBESRZSA-N 1 0 352.500 2.203 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@H](C)C3CCS(=O)(=O)CC3)CC2)cc1 ZINC000187140652 672562397 /nfs/dbraw/zinc/56/23/97/672562397.db2.gz UBSNAXHJHQWTOZ-OAHLLOKOSA-N 1 0 366.527 2.467 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Cl ZINC000825325163 675646469 /nfs/dbraw/zinc/64/64/69/675646469.db2.gz BQEOZUPRUYZJSD-SJKOYZFVSA-N 1 0 351.834 2.164 20 10 FECDRO OCc1cn([C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)nn1 ZINC000826016747 675678147 /nfs/dbraw/zinc/67/81/47/675678147.db2.gz LJNORNOWXAPRJF-AWEZNQCLSA-N 1 0 367.247 2.076 20 10 FECDRO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826023823 675678284 /nfs/dbraw/zinc/67/82/84/675678284.db2.gz HXOHSIVJRRJDFC-NSHDSACASA-N 1 0 355.232 2.429 20 10 FECDRO COC(=O)N(C)CC[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000827335758 675748885 /nfs/dbraw/zinc/74/88/85/675748885.db2.gz YDEOQWAHJALUDF-UHFFFAOYSA-N 1 0 361.236 2.293 20 10 FECDRO Cc1cc(C[N@H+](C)CCN2CCCS2(=O)=O)ccc1N1CCCCC1 ZINC000827957498 675788900 /nfs/dbraw/zinc/78/89/00/675788900.db2.gz NHCCKUOUMKPNIM-UHFFFAOYSA-N 1 0 365.543 2.453 20 10 FECDRO C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)CC[N@@H+]1C ZINC000764791053 680821280 /nfs/dbraw/zinc/82/12/80/680821280.db2.gz MBHWPGUTHXKIIR-JQWIXIFHSA-N 1 0 356.264 2.437 20 10 FECDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000840891439 680849840 /nfs/dbraw/zinc/84/98/40/680849840.db2.gz SXHSKVSKCUBEIH-AWEZNQCLSA-N 1 0 358.479 2.138 20 10 FECDRO COCCC[N@H+](Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000840910944 680852301 /nfs/dbraw/zinc/85/23/01/680852301.db2.gz YBKTYJJHZIKECW-GOSISDBHSA-N 1 0 354.516 2.087 20 10 FECDRO COc1cc(N2CCN(C[C@H]([NH3+])CC(C)C)CC2)cc(OC)c1OC ZINC000841022250 680860298 /nfs/dbraw/zinc/86/02/98/680860298.db2.gz RARFYXJRJRISGM-OAHLLOKOSA-N 1 0 351.491 2.208 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000841041380 680860733 /nfs/dbraw/zinc/86/07/33/680860733.db2.gz HQQMMIFQFIDOKV-HNNXBMFYSA-N 1 0 353.513 2.007 20 10 FECDRO CCS(=O)(=O)NC1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835054508 680291348 /nfs/dbraw/zinc/29/13/48/680291348.db2.gz WFCCOILHGKVOSI-AATRIKPKSA-N 1 0 351.516 2.170 20 10 FECDRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000756488148 680481089 /nfs/dbraw/zinc/48/10/89/680481089.db2.gz LDRHWEYFDJGGMV-BBRMVZONSA-N 1 0 352.500 2.346 20 10 FECDRO CC(C)([NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841844165 680914495 /nfs/dbraw/zinc/91/44/95/680914495.db2.gz SGOXVZFTGRHAEW-LBPRGKRZSA-N 1 0 356.417 2.293 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[NH2+]C1CC1 ZINC000841927205 680917705 /nfs/dbraw/zinc/91/77/05/680917705.db2.gz HASYIUMBUZVXOQ-UHFFFAOYSA-N 1 0 356.264 2.438 20 10 FECDRO CCCC[C@H](C[NH3+])NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000841959158 680919172 /nfs/dbraw/zinc/91/91/72/680919172.db2.gz VNOSRIZCTHLUPO-CQSZACIVSA-N 1 0 352.454 2.183 20 10 FECDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1cc(Br)ccc1O ZINC000842003685 680920991 /nfs/dbraw/zinc/92/09/91/680920991.db2.gz JKPNWDWOIZETRX-ZDUSSCGKSA-N 1 0 356.264 2.486 20 10 FECDRO O[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000842212122 680933026 /nfs/dbraw/zinc/93/30/26/680933026.db2.gz LYTXJEUSVYCTAG-GDBMZVCRSA-N 1 0 355.276 2.289 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842883739 680973351 /nfs/dbraw/zinc/97/33/51/680973351.db2.gz NOSNZGHEJTVILN-GXTWGEPZSA-N 1 0 363.435 2.286 20 10 FECDRO Cc1cc(C(=O)NCC2C[NH2+]C2)c(C)n1-c1ccc(Br)cn1 ZINC000843452919 681004648 /nfs/dbraw/zinc/00/46/48/681004648.db2.gz CUWONUKFNJCRJU-UHFFFAOYSA-N 1 0 363.259 2.201 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000845065968 681101417 /nfs/dbraw/zinc/10/14/17/681101417.db2.gz YCOCXXZGJRCHQP-WBVHZDCISA-N 1 0 367.877 2.223 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846075050 681179165 /nfs/dbraw/zinc/17/91/65/681179165.db2.gz KWABPSFICHCVID-JTQLQIEISA-N 1 0 369.259 2.264 20 10 FECDRO COc1cc(O)c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000775649148 681321361 /nfs/dbraw/zinc/32/13/61/681321361.db2.gz LZCSAMVUCYULJE-INIZCTEOSA-N 1 0 350.459 2.096 20 10 FECDRO Cc1cc(Br)cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000775676546 681323667 /nfs/dbraw/zinc/32/36/67/681323667.db2.gz TWQHFXADVCYTIV-CVEARBPZSA-N 1 0 369.303 2.494 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]CC(=O)NCc2ccco2)c1O ZINC000775928315 681349228 /nfs/dbraw/zinc/34/92/28/681349228.db2.gz LQIRLQVMPWBTFL-UHFFFAOYSA-N 1 0 353.216 2.462 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1O ZINC000848528723 681571994 /nfs/dbraw/zinc/57/19/94/681571994.db2.gz NSTRKAOBKKRUFR-GXSJLCMTSA-N 1 0 357.248 2.435 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1O ZINC000848529464 681572196 /nfs/dbraw/zinc/57/21/96/681572196.db2.gz NWXDCUISQOHSPD-NOZJJQNGSA-N 1 0 370.247 2.281 20 10 FECDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1 ZINC000848531164 681572885 /nfs/dbraw/zinc/57/28/85/681572885.db2.gz ODRYUAMIZWILLN-GDBMZVCRSA-N 1 0 354.541 2.295 20 10 FECDRO CCN1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1=O ZINC000848553373 681576968 /nfs/dbraw/zinc/57/69/68/681576968.db2.gz KXCKJSLKNSSPKC-GXSJLCMTSA-N 1 0 357.248 2.435 20 10 FECDRO CCc1cccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1O ZINC000848908910 681640566 /nfs/dbraw/zinc/64/05/66/681640566.db2.gz FZDMJYPKDXWMOX-UHFFFAOYSA-N 1 0 352.500 2.345 20 10 FECDRO COc1cc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850093825 681849851 /nfs/dbraw/zinc/84/98/51/681849851.db2.gz KDHPILUPGWSZMN-AWEZNQCLSA-N 1 0 370.515 2.212 20 10 FECDRO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000850356211 681890008 /nfs/dbraw/zinc/89/00/08/681890008.db2.gz QDYREEHCEYJJJX-PKOBYXMFSA-N 1 0 366.527 2.216 20 10 FECDRO CCOC1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000850436717 681901468 /nfs/dbraw/zinc/90/14/68/681901468.db2.gz WOPWIGYMFGJHRS-UHFFFAOYSA-N 1 0 366.527 2.359 20 10 FECDRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000851714721 682109507 /nfs/dbraw/zinc/10/95/07/682109507.db2.gz USDQFPUCOPOUTP-QGZVFWFLSA-N 1 0 372.402 2.402 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000792993173 682855287 /nfs/dbraw/zinc/85/52/87/682855287.db2.gz WDEIYQSMYRRAEU-LBPRGKRZSA-N 1 0 350.406 2.438 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000793586127 682896999 /nfs/dbraw/zinc/89/69/99/682896999.db2.gz GCJFXPWLOMTDNB-CHWSQXEVSA-N 1 0 357.292 2.350 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858343110 682959213 /nfs/dbraw/zinc/95/92/13/682959213.db2.gz SSJURBXVZKSPCT-CYBMUJFWSA-N 1 0 369.259 2.406 20 10 FECDRO C[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858520095 682976141 /nfs/dbraw/zinc/97/61/41/682976141.db2.gz CZHBFHFOPMBHAH-HOCLYGCPSA-N 1 0 353.894 2.158 20 10 FECDRO O=S(=O)(NCC[NH2+]Cc1ccccc1O)c1ccc(Cl)cc1F ZINC000799345229 683446924 /nfs/dbraw/zinc/44/69/24/683446924.db2.gz VXWBYJHKZSORRB-UHFFFAOYSA-N 1 0 358.822 2.253 20 10 FECDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000862475235 683593804 /nfs/dbraw/zinc/59/38/04/683593804.db2.gz DIQJDUJAKMOMRQ-IBGZPJMESA-N 1 0 351.443 2.462 20 10 FECDRO C[C@H]([NH2+]CC[S@](=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000930209774 683693573 /nfs/dbraw/zinc/69/35/73/683693573.db2.gz IJPYEMNEAAPJFY-MYODQAERSA-N 1 0 350.406 2.442 20 10 FECDRO CC(C)O[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000922611321 683754063 /nfs/dbraw/zinc/75/40/63/683754063.db2.gz ATVIZOCDKRQCPY-IBGZPJMESA-N 1 0 352.450 2.336 20 10 FECDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000866456942 684106869 /nfs/dbraw/zinc/10/68/69/684106869.db2.gz FUCZLJUEDOPFHV-JTQLQIEISA-N 1 0 365.293 2.053 20 10 FECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000925153691 684530856 /nfs/dbraw/zinc/53/08/56/684530856.db2.gz ZRRPFMVBDCTOHX-RCBQFDQVSA-N 1 0 365.499 2.341 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CC2(O)CCOCC2)cc1F ZINC000872200413 684926751 /nfs/dbraw/zinc/92/67/51/684926751.db2.gz IARQSSRZQCSNHJ-INIZCTEOSA-N 1 0 354.466 2.054 20 10 FECDRO COc1ccc(N2CC[NH+](CC(C)(C)N3CCOCC3)CC2)cc1F ZINC000876807186 686273185 /nfs/dbraw/zinc/27/31/85/686273185.db2.gz YONVFSSUGATASI-UHFFFAOYSA-N 1 0 351.466 2.067 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876878856 686286313 /nfs/dbraw/zinc/28/63/13/686286313.db2.gz CFCISEMQIMQGAS-LLPBQKLSSA-N 1 0 366.845 2.103 20 10 FECDRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@@H](C)c1ccccc1O ZINC000879650553 686879441 /nfs/dbraw/zinc/87/94/41/686879441.db2.gz GZUUFTUXZNXFKV-SEJMYLSOSA-N 1 0 350.440 2.023 20 10 FECDRO CC(C)[NH+]1CCN(CCCC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890761462 688962981 /nfs/dbraw/zinc/96/29/81/688962981.db2.gz STJHCJUHZSHHCF-UHFFFAOYSA-N 1 0 353.894 2.468 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000892812935 689247045 /nfs/dbraw/zinc/24/70/45/689247045.db2.gz NXGVCTHQAXPUGO-LSDHHAIUSA-N 1 0 352.500 2.077 20 10 FECDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c(O)c1OC ZINC000893161684 689306309 /nfs/dbraw/zinc/30/63/09/689306309.db2.gz XLGSNTFFEIASIH-HOTGVXAUSA-N 1 0 350.459 2.142 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000893739749 689397096 /nfs/dbraw/zinc/39/70/96/689397096.db2.gz CSCRDIGKZJLLKU-JKSUJKDBSA-N 1 0 367.877 2.223 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000894509267 689544260 /nfs/dbraw/zinc/54/42/60/689544260.db2.gz BBFNLYGSLKOIHB-PBHICJAKSA-N 1 0 350.532 2.408 20 10 FECDRO COc1ccc(C[NH2+]Cc2cn(C)nc2I)c(O)c1 ZINC000894636941 689571536 /nfs/dbraw/zinc/57/15/36/689571536.db2.gz MNGKZJWHQGLBTD-UHFFFAOYSA-N 1 0 373.194 2.029 20 10 FECDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1csnn1 ZINC000895375689 689705520 /nfs/dbraw/zinc/70/55/20/689705520.db2.gz BEGVLAVZLYREDO-BLLLJJGKSA-N 1 0 362.503 2.267 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1Cl ZINC000895686937 689754981 /nfs/dbraw/zinc/75/49/81/689754981.db2.gz WOPGPPXVWACIES-QGZVFWFLSA-N 1 0 367.921 2.240 20 10 FECDRO CC1(C)[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CS1(=O)=O ZINC000895986637 689803495 /nfs/dbraw/zinc/80/34/95/689803495.db2.gz VOXXEAIWZMGQJN-JTQLQIEISA-N 1 0 368.680 2.473 20 10 FECDRO Cc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c(O)c1 ZINC000897271071 689997781 /nfs/dbraw/zinc/99/77/81/689997781.db2.gz GYQHEQJRGIHDIJ-UHFFFAOYSA-N 1 0 352.500 2.481 20 10 FECDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897635108 690053930 /nfs/dbraw/zinc/05/39/30/690053930.db2.gz XOYQJIZYPOYCQM-LBPRGKRZSA-N 1 0 352.456 2.135 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C2CC(CC(N)=O)C2)c1O ZINC000903253061 690875996 /nfs/dbraw/zinc/87/59/96/690875996.db2.gz HZLRHSHOOXEILJ-FKTRJACZSA-N 1 0 357.248 2.468 20 10 FECDRO Oc1ccc(Br)cc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974039 690990727 /nfs/dbraw/zinc/99/07/27/690990727.db2.gz KELMBVYGRRSETP-CQSZACIVSA-N 1 0 355.276 2.403 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cc1OC ZINC000905700049 691164573 /nfs/dbraw/zinc/16/45/73/691164573.db2.gz DGJWBUMCHZIRJR-ACJLOTCBSA-N 1 0 350.415 2.120 20 10 FECDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1OC ZINC000800310192 674040589 /nfs/dbraw/zinc/04/05/89/674040589.db2.gz YAKWTDWCXJKKLU-NVXWUHKLSA-N 1 0 370.515 2.039 20 10 FECDRO CCOc1cccc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)c1O ZINC000093320653 542925932 /nfs/dbraw/zinc/92/59/32/542925932.db2.gz DITVBAFHXRCPEZ-UHFFFAOYSA-N 1 0 356.488 2.037 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000108769976 543302047 /nfs/dbraw/zinc/30/20/47/543302047.db2.gz CNEJYLPPOBAMNZ-FPYGCLRLSA-N 1 0 355.482 2.279 20 10 FECDRO CC(=O)NC1CCC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000161352799 546122535 /nfs/dbraw/zinc/12/25/35/546122535.db2.gz FSPVPFXVTLLEPV-UHFFFAOYSA-N 1 0 359.514 2.432 20 10 FECDRO O=S(=O)(CCCF)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000161827217 546133683 /nfs/dbraw/zinc/13/36/83/546133683.db2.gz XZUVWIPEPRHRBW-AWEZNQCLSA-N 1 0 364.870 2.289 20 10 FECDRO CN(C(=O)Cc1ccc(N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000166553054 546157656 /nfs/dbraw/zinc/15/76/56/546157656.db2.gz KIGWDMRBXXOOCG-UHFFFAOYSA-N 1 0 352.482 2.372 20 10 FECDRO C[NH+](C)C1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCOCC1 ZINC000173208783 546275872 /nfs/dbraw/zinc/27/58/72/546275872.db2.gz IRSMFJHAMSTCTR-UHFFFAOYSA-N 1 0 361.486 2.181 20 10 FECDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000179882584 547023644 /nfs/dbraw/zinc/02/36/44/547023644.db2.gz LRRVIRRGFXQANZ-GFCCVEGCSA-N 1 0 350.440 2.241 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(O)c1 ZINC000179893705 547025993 /nfs/dbraw/zinc/02/59/93/547025993.db2.gz QAPOTGGVCKGZPJ-QGZVFWFLSA-N 1 0 362.470 2.252 20 10 FECDRO C[NH+](C)CCOc1ccccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180993641 547225644 /nfs/dbraw/zinc/22/56/44/547225644.db2.gz KWUDHPZYHLNZIP-CSKARUKUSA-N 1 0 356.422 2.368 20 10 FECDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000181555996 547335143 /nfs/dbraw/zinc/33/51/43/547335143.db2.gz IQUXVJGJKOASCT-SFHVURJKSA-N 1 0 351.516 2.191 20 10 FECDRO Cc1cc(Br)cc(C[NH+]2CCC(N3CCNC3=O)CC2)c1O ZINC000183388312 547648616 /nfs/dbraw/zinc/64/86/16/547648616.db2.gz UZKBISGDBJDLHS-UHFFFAOYSA-N 1 0 368.275 2.453 20 10 FECDRO O=C([C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1O)N1CCOCC1 ZINC000184977949 547911177 /nfs/dbraw/zinc/91/11/77/547911177.db2.gz ZAUTZYNPHDEEJO-SFHVURJKSA-N 1 0 358.413 2.091 20 10 FECDRO CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(=O)N1CCOCC1 ZINC000185664670 548016926 /nfs/dbraw/zinc/01/69/26/548016926.db2.gz ZNGNNXQDXRYVHH-RISCZKNCSA-N 1 0 371.275 2.443 20 10 FECDRO CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157698 548318919 /nfs/dbraw/zinc/31/89/19/548318919.db2.gz KDICTWLDCFKXPE-ROUUACIJSA-N 1 0 358.442 2.177 20 10 FECDRO CCOc1cccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1O ZINC000236901540 548788313 /nfs/dbraw/zinc/78/83/13/548788313.db2.gz FZSZREGBSWRRMW-LJQANCHMSA-N 1 0 356.466 2.300 20 10 FECDRO COc1cc(CNC(=O)Cc2ccc(N)cc2)ccc1OCC[NH+](C)C ZINC000237344800 548819458 /nfs/dbraw/zinc/81/94/58/548819458.db2.gz DPVGFEAYGKZLQG-UHFFFAOYSA-N 1 0 357.454 2.077 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000245608185 548957293 /nfs/dbraw/zinc/95/72/93/548957293.db2.gz ACYXHKRKNQRQQJ-YQQAZPJKSA-N 1 0 364.486 2.483 20 10 FECDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264354269 549994378 /nfs/dbraw/zinc/99/43/78/549994378.db2.gz MWPBTCHSPNOPDG-KRWDZBQOSA-N 1 0 373.545 2.063 20 10 FECDRO NC(=O)[C@H]1CCCN1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264639051 549998971 /nfs/dbraw/zinc/99/89/71/549998971.db2.gz VKRCOXFBJQUYDU-LJQANCHMSA-N 1 0 353.466 2.489 20 10 FECDRO CCCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)c(O)c1 ZINC000266163050 550017792 /nfs/dbraw/zinc/01/77/92/550017792.db2.gz JAJMHCCZUZTSIP-UHFFFAOYSA-N 1 0 370.515 2.473 20 10 FECDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165388 550037011 /nfs/dbraw/zinc/03/70/11/550037011.db2.gz PMNWRBWZVQYLPU-OXJNMPFZSA-N 1 0 372.513 2.147 20 10 FECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197470 550037896 /nfs/dbraw/zinc/03/78/96/550037896.db2.gz NZHXABINNPQSBF-NWTWXJSOSA-N 1 0 355.482 2.135 20 10 FECDRO COc1ccc(N2CCN(CCNC(=O)c3csnc3C)CC2)cc1 ZINC000272947284 550477603 /nfs/dbraw/zinc/47/76/03/550477603.db2.gz UDFNEPORXLRQTP-UHFFFAOYSA-N 1 0 360.483 2.012 20 10 FECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000273613450 550505190 /nfs/dbraw/zinc/50/51/90/550505190.db2.gz WVDGIIYDKZFFDT-HOCLYGCPSA-N 1 0 350.459 2.066 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000276905508 550609285 /nfs/dbraw/zinc/60/92/85/550609285.db2.gz IKZOPNBANZBDIG-UHFFFAOYSA-N 1 0 370.515 2.473 20 10 FECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)cc1 ZINC000280923760 551045973 /nfs/dbraw/zinc/04/59/73/551045973.db2.gz HOKZFEJVAVXWOZ-CABCVRRESA-N 1 0 355.486 2.351 20 10 FECDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280972312 551050712 /nfs/dbraw/zinc/05/07/12/551050712.db2.gz LJRRETPUONNAMC-CQSZACIVSA-N 1 0 370.490 2.280 20 10 FECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000281179570 551071502 /nfs/dbraw/zinc/07/15/02/551071502.db2.gz HOFPZPORYOCLAP-YPMHNXCESA-N 1 0 355.232 2.393 20 10 FECDRO CC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000283301921 551344558 /nfs/dbraw/zinc/34/45/58/551344558.db2.gz DWBJGCWKGHOGKH-UHFFFAOYSA-N 1 0 374.529 2.090 20 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553671420 /nfs/dbraw/zinc/67/14/20/553671420.db2.gz JZXVJSMLUMWSTM-UHFFFAOYSA-N 1 0 362.430 2.484 20 10 FECDRO COc1cccc(CNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)c1O ZINC000362884287 554995794 /nfs/dbraw/zinc/99/57/94/554995794.db2.gz IHJCHWKXTAGJMK-UHFFFAOYSA-N 1 0 358.442 2.013 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000363099048 555030135 /nfs/dbraw/zinc/03/01/35/555030135.db2.gz KGBBKCUIZGPMJX-GOSISDBHSA-N 1 0 369.513 2.324 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000363867385 555202687 /nfs/dbraw/zinc/20/26/87/555202687.db2.gz QEZPLLXGJFWAJF-NFOMZHRRSA-N 1 0 368.499 2.398 20 10 FECDRO CC(C)N1C(=O)N[C@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1=O ZINC000366529172 555868973 /nfs/dbraw/zinc/86/89/73/555868973.db2.gz NTIOQIJWXLAOIP-FQEVSTJZSA-N 1 0 353.422 2.450 20 10 FECDRO COC(=O)[C@H]1CC[C@@H]1C(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000367543505 556078390 /nfs/dbraw/zinc/07/83/90/556078390.db2.gz CJNJHZDJUKBQDK-ROUUACIJSA-N 1 0 360.454 2.322 20 10 FECDRO COC(=O)[C@H]1CC[C@H]1C(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000367543503 556078574 /nfs/dbraw/zinc/07/85/74/556078574.db2.gz CJNJHZDJUKBQDK-MSOLQXFVSA-N 1 0 360.454 2.322 20 10 FECDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368049630 556204023 /nfs/dbraw/zinc/20/40/23/556204023.db2.gz XCIZAZSTNKIBBB-QYVUUFRMSA-N 1 0 350.418 2.358 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368318983 556276677 /nfs/dbraw/zinc/27/66/77/556276677.db2.gz OXFYLZYOCIIBIS-DYVFJYSZSA-N 1 0 354.454 2.461 20 10 FECDRO Cc1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000369407233 556593917 /nfs/dbraw/zinc/59/39/17/556593917.db2.gz FWPWVBNHENOADK-WMLDXEAASA-N 1 0 355.486 2.213 20 10 FECDRO Cc1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000369407232 556594122 /nfs/dbraw/zinc/59/41/22/556594122.db2.gz FWPWVBNHENOADK-RHSMWYFYSA-N 1 0 355.486 2.213 20 10 FECDRO CCC[NH+]1CCC(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000369543139 556626306 /nfs/dbraw/zinc/62/63/06/556626306.db2.gz BMMGBRYMQGVCKA-UHFFFAOYSA-N 1 0 361.486 2.113 20 10 FECDRO C[NH+](C)CCNC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000371258302 557121873 /nfs/dbraw/zinc/12/18/73/557121873.db2.gz NAHFLWKTANMTIR-ZDUSSCGKSA-N 1 0 374.407 2.272 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371300943 557137173 /nfs/dbraw/zinc/13/71/73/557137173.db2.gz RLMJMMRYYLGHBM-RYQLBKOJSA-N 1 0 350.434 2.417 20 10 FECDRO CCCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000371310873 557141813 /nfs/dbraw/zinc/14/18/13/557141813.db2.gz PLMWGWUECJVYGV-UHFFFAOYSA-N 1 0 368.481 2.048 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(OCC3CC3)CC1)cc2=O ZINC000374090875 557822073 /nfs/dbraw/zinc/82/20/73/557822073.db2.gz BNFOLKNFYKPQDV-UHFFFAOYSA-N 1 0 374.441 2.003 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1OC ZINC000376941324 558242245 /nfs/dbraw/zinc/24/22/45/558242245.db2.gz NVASVDWQRSWCQX-ZDUSSCGKSA-N 1 0 362.386 2.351 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000821589406 599450649 /nfs/dbraw/zinc/45/06/49/599450649.db2.gz METWZGFVXXXWML-UHFFFAOYSA-N 1 0 356.405 2.240 20 10 FECDRO COCCN(CC[NH+](C)C)Cc1cc(Br)cc(OC)c1O ZINC000809741565 674508062 /nfs/dbraw/zinc/50/80/62/674508062.db2.gz YUYRZURHWZBORT-UHFFFAOYSA-N 1 0 361.280 2.173 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000809785318 674509914 /nfs/dbraw/zinc/50/99/14/674509914.db2.gz VFQVFNNTJLTRHE-CQSZACIVSA-N 1 0 368.499 2.085 20 10 FECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000815102188 674918552 /nfs/dbraw/zinc/91/85/52/674918552.db2.gz HAIFYOIXYNQOGC-GOSISDBHSA-N 1 0 351.516 2.143 20 10 FECDRO CC[NH+](CC)CCNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084898333 670677143 /nfs/dbraw/zinc/67/71/43/670677143.db2.gz HOOBYDWQHGHKOX-UHFFFAOYSA-N 1 0 352.454 2.008 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC([C@@H](O)C(=O)OC)CC2)cc1F ZINC000092014797 670733952 /nfs/dbraw/zinc/73/39/52/670733952.db2.gz LJHTXTJHBMPEJA-GOSISDBHSA-N 1 0 352.450 2.418 20 10 FECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnns1 ZINC000092126017 670735571 /nfs/dbraw/zinc/73/55/71/670735571.db2.gz URZAPUPZJKHEMR-UHFFFAOYSA-N 1 0 357.483 2.000 20 10 FECDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000105152291 670798305 /nfs/dbraw/zinc/79/83/05/670798305.db2.gz YHEVUNDXLWHATH-GOSISDBHSA-N 1 0 362.543 2.475 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)CCC(C)C)cc2F)CC1 ZINC000106896011 670815761 /nfs/dbraw/zinc/81/57/61/670815761.db2.gz PXWHMNFRFKOWNL-UHFFFAOYSA-N 1 0 371.522 2.433 20 10 FECDRO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000120164237 671918772 /nfs/dbraw/zinc/91/87/72/671918772.db2.gz FNVCRLIMAFCSFX-MAUKXSAKSA-N 1 0 363.527 2.138 20 10 FECDRO CC(C)[NH+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000183029713 672458837 /nfs/dbraw/zinc/45/88/37/672458837.db2.gz RHAZHCLAQZBNPA-UHFFFAOYSA-N 1 0 351.466 2.397 20 10 FECDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000183068095 672459801 /nfs/dbraw/zinc/45/98/01/672459801.db2.gz CXDUMHPNSKMZSL-CABCVRRESA-N 1 0 351.466 2.303 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000237040147 672805958 /nfs/dbraw/zinc/80/59/58/672805958.db2.gz SNDGGWHUAVHOEZ-UHFFFAOYSA-N 1 0 364.467 2.167 20 10 FECDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000732285076 673361832 /nfs/dbraw/zinc/36/18/32/673361832.db2.gz QBVJIPBYYNSXQE-UHFFFAOYSA-N 1 0 364.467 2.341 20 10 FECDRO CON(C)C(=O)CC[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819119851 675262103 /nfs/dbraw/zinc/26/21/03/675262103.db2.gz DPOSXVRXXILPDZ-CYBMUJFWSA-N 1 0 357.401 2.256 20 10 FECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC12COC2 ZINC000824489726 675606153 /nfs/dbraw/zinc/60/61/53/675606153.db2.gz QNUXMEKVTZPRGX-ZDUSSCGKSA-N 1 0 370.243 2.166 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H](S(C)(=O)=O)C3)C2)cc1 ZINC000826846315 675710152 /nfs/dbraw/zinc/71/01/52/675710152.db2.gz SQMMPRLOQIRQLZ-MPGHIAIKSA-N 1 0 352.500 2.219 20 10 FECDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000827365410 675751166 /nfs/dbraw/zinc/75/11/66/675751166.db2.gz ROKRMVLUAAFBMP-JKIFEVAISA-N 1 0 351.466 2.429 20 10 FECDRO COc1c([O-])c(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000827555434 675764771 /nfs/dbraw/zinc/76/47/71/675764771.db2.gz UCSXJPGTMMITNA-NSHDSACASA-N 1 0 351.403 2.046 20 10 FECDRO CNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000839127897 680740016 /nfs/dbraw/zinc/74/00/16/680740016.db2.gz JAGJICJTCNVSDM-LBPRGKRZSA-N 1 0 350.440 2.160 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C(N)=O)c1 ZINC000839540940 680760276 /nfs/dbraw/zinc/76/02/76/680760276.db2.gz YBCOKQYILQPOOL-SNVBAGLBSA-N 1 0 363.439 2.241 20 10 FECDRO Nc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000841001949 680859117 /nfs/dbraw/zinc/85/91/17/680859117.db2.gz XLHBWODEFCLBES-HNNXBMFYSA-N 1 0 358.467 2.222 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=S)NCC(C)C)CC2)cc1 ZINC000747765856 679902216 /nfs/dbraw/zinc/90/22/16/679902216.db2.gz HZJXLINSOVCRRZ-UHFFFAOYSA-N 1 0 364.559 2.327 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(Br)c[nH]2)cc1 ZINC000832292764 680120724 /nfs/dbraw/zinc/12/07/24/680120724.db2.gz MBSPIIUKLBBRGH-CYBMUJFWSA-N 1 0 351.248 2.273 20 10 FECDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000834890747 680280590 /nfs/dbraw/zinc/28/05/90/680280590.db2.gz PHLMVHFKIDRJPU-KGLIPLIRSA-N 1 0 351.878 2.448 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000835049840 680290962 /nfs/dbraw/zinc/29/09/62/680290962.db2.gz MQEPHXSDLXAYHI-BGYNLAARSA-N 1 0 351.516 2.073 20 10 FECDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000758502768 680587527 /nfs/dbraw/zinc/58/75/27/680587527.db2.gz SSGURHJRKXOAQK-UHFFFAOYSA-N 1 0 362.495 2.463 20 10 FECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000759172826 680633032 /nfs/dbraw/zinc/63/30/32/680633032.db2.gz IYEMJBCPWNYEFM-JSGCOSHPSA-N 1 0 360.248 2.447 20 10 FECDRO C[C@H]([NH3+])CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782211 680912041 /nfs/dbraw/zinc/91/20/41/680912041.db2.gz KMYKGFPRVZJDHQ-LBPRGKRZSA-N 1 0 356.417 2.293 20 10 FECDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841783109 680912198 /nfs/dbraw/zinc/91/21/98/680912198.db2.gz WGDMYXAZYGCNTP-NEPJUHHUSA-N 1 0 356.417 2.292 20 10 FECDRO C[C@@H](C[NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843945 680914523 /nfs/dbraw/zinc/91/45/23/680914523.db2.gz QCYHILPKDFFOQT-STQMWFEESA-N 1 0 356.417 2.151 20 10 FECDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N(CC[NH3+])CCO)cc2Cl)C1 ZINC000841895849 680916957 /nfs/dbraw/zinc/91/69/57/680916957.db2.gz GQTSUNHSSNPZLY-CQSZACIVSA-N 1 0 368.909 2.039 20 10 FECDRO CCC([NH3+])(CC)CNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000841950785 680918613 /nfs/dbraw/zinc/91/86/13/680918613.db2.gz COHFUVAZBVTBMM-UHFFFAOYSA-N 1 0 352.454 2.183 20 10 FECDRO CC1(CNC(=O)NCc2cccc(Br)c2O)CC[NH2+]CC1 ZINC000841969635 680919440 /nfs/dbraw/zinc/91/94/40/680919440.db2.gz MGROAHAWVMMDBO-UHFFFAOYSA-N 1 0 356.264 2.344 20 10 FECDRO COc1ccc(N2CCN(C(=O)N[C@H](C)CCCC[NH3+])CC2)cc1F ZINC000841996213 680920723 /nfs/dbraw/zinc/92/07/23/680920723.db2.gz RQFMLRHSLITEHF-CQSZACIVSA-N 1 0 352.454 2.183 20 10 FECDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(Cl)cn3)CC1)[C@H](O)CO2 ZINC000768438966 680947037 /nfs/dbraw/zinc/94/70/37/680947037.db2.gz CKALUCWGJHJYRN-MRXNPFEDSA-N 1 0 361.829 2.189 20 10 FECDRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768439737 680947058 /nfs/dbraw/zinc/94/70/58/680947058.db2.gz MZERVGBSWXYFAG-CQSZACIVSA-N 1 0 352.500 2.032 20 10 FECDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769007507 680967816 /nfs/dbraw/zinc/96/78/16/680967816.db2.gz UOODLKVOOOFTTQ-GDBMZVCRSA-N 1 0 351.466 2.255 20 10 FECDRO CCOc1ccc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)c(O)c1 ZINC000769388830 680980542 /nfs/dbraw/zinc/98/05/42/680980542.db2.gz IFIILQDOZDYCSL-UHFFFAOYSA-N 1 0 356.488 2.037 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843387169 681000830 /nfs/dbraw/zinc/00/08/30/681000830.db2.gz FNPOFUUXCIKENA-AWEZNQCLSA-N 1 0 352.862 2.436 20 10 FECDRO [NH3+]CCc1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000843485710 681006369 /nfs/dbraw/zinc/00/63/69/681006369.db2.gz QHCBLVGIPCBBEI-CQSZACIVSA-N 1 0 361.467 2.171 20 10 FECDRO C[C@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2F)C[C@H](C)O1 ZINC000844173435 681043086 /nfs/dbraw/zinc/04/30/86/681043086.db2.gz BFGGYASFFRZGRA-GDZNZVCISA-N 1 0 351.466 2.429 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000844953147 681094705 /nfs/dbraw/zinc/09/47/05/681094705.db2.gz IOBVCLFRODYQFC-UHFFFAOYSA-N 1 0 367.877 2.490 20 10 FECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000846171133 681193389 /nfs/dbraw/zinc/19/33/89/681193389.db2.gz DGKGTOJAAJPNSJ-QWHCGFSZSA-N 1 0 363.435 2.286 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000846171132 681193400 /nfs/dbraw/zinc/19/34/00/681193400.db2.gz DGKGTOJAAJPNSJ-OLZOCXBDSA-N 1 0 363.435 2.286 20 10 FECDRO COc1cc(O)c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1OC ZINC000775649150 681321257 /nfs/dbraw/zinc/32/12/57/681321257.db2.gz LZCSAMVUCYULJE-MRXNPFEDSA-N 1 0 350.459 2.096 20 10 FECDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000776810558 681438203 /nfs/dbraw/zinc/43/82/03/681438203.db2.gz ZKNANAMKRCOSCA-STQMWFEESA-N 1 0 350.415 2.468 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000848535206 681573332 /nfs/dbraw/zinc/57/33/32/681573332.db2.gz BMCDMGPMYQQERV-BDAKNGLRSA-N 1 0 366.277 2.247 20 10 FECDRO Cn1cc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c(Cl)n1 ZINC000856719211 682797722 /nfs/dbraw/zinc/79/77/22/682797722.db2.gz SEAGOXOGLUCCPL-XFFZJAGNSA-N 1 0 356.904 2.369 20 10 FECDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@H]3CCN(S(C)(=O)=O)C3)c2c1 ZINC000793565816 682895853 /nfs/dbraw/zinc/89/58/53/682895853.db2.gz FPOIXTJIHLSQLT-AWEZNQCLSA-N 1 0 364.467 2.020 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000793586131 682896976 /nfs/dbraw/zinc/89/69/76/682896976.db2.gz GCJFXPWLOMTDNB-QWHCGFSZSA-N 1 0 357.292 2.350 20 10 FECDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCS1(=O)=O ZINC000858282214 682952752 /nfs/dbraw/zinc/95/27/52/682952752.db2.gz UJTAARZBMACFNS-UKRRQHHQSA-N 1 0 367.471 2.250 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1O ZINC000858489704 682972582 /nfs/dbraw/zinc/97/25/82/682972582.db2.gz JZLAXAOWCAHWMF-YPMHNXCESA-N 1 0 358.833 2.413 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O ZINC000927147975 683212356 /nfs/dbraw/zinc/21/23/56/683212356.db2.gz VNAUJDXMJDSLMW-GXSJLCMTSA-N 1 0 351.248 2.491 20 10 FECDRO COc1ccc(N2CCCN(C(=S)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000920310788 683333297 /nfs/dbraw/zinc/33/32/97/683333297.db2.gz FPSWGKFFNATBHV-UHFFFAOYSA-N 1 0 362.543 2.176 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000861549792 683434000 /nfs/dbraw/zinc/43/40/00/683434000.db2.gz QNDWNDZMBPNGTR-HIFRSBDPSA-N 1 0 358.408 2.421 20 10 FECDRO Cc1cc(C)c(O)c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000799958085 683515090 /nfs/dbraw/zinc/51/50/90/683515090.db2.gz OZUHDAHKWLAKBQ-UHFFFAOYSA-N 1 0 352.500 2.399 20 10 FECDRO CN(C)c1cc(F)c(CN2CCN(CC[NH+]3CCCC3)CC2)cc1F ZINC000862213198 683550896 /nfs/dbraw/zinc/55/08/96/683550896.db2.gz NNAPFJKZXRCNFI-UHFFFAOYSA-N 1 0 352.473 2.244 20 10 FECDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCS1 ZINC000862278400 683564027 /nfs/dbraw/zinc/56/40/27/683564027.db2.gz CBUFPICTXYDRRL-KRWDZBQOSA-N 1 0 354.541 2.297 20 10 FECDRO C[C@@H]1CN(Cc2c(O)cccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000862336942 683574007 /nfs/dbraw/zinc/57/40/07/683574007.db2.gz OAEIGWLTLAENHH-GFCCVEGCSA-N 1 0 357.292 2.432 20 10 FECDRO COc1c(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645086 683756743 /nfs/dbraw/zinc/75/67/43/683756743.db2.gz AXANTGZNGTUDNC-GHMZBOCLSA-N 1 0 363.336 2.268 20 10 FECDRO COc1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1Cn1cccn1 ZINC000922734965 683774592 /nfs/dbraw/zinc/77/45/92/683774592.db2.gz VFQGKPDYBHKNRM-UHFFFAOYSA-N 1 0 365.499 2.100 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000922800039 683785791 /nfs/dbraw/zinc/78/57/91/683785791.db2.gz UGVDQGBVOHYBNV-UHFFFAOYSA-N 1 0 358.232 2.406 20 10 FECDRO CC[C@@H]([NH2+]CCCS(=O)(=O)NC)c1cc(Br)ccc1O ZINC000866457950 684107099 /nfs/dbraw/zinc/10/70/99/684107099.db2.gz WSQBHRRZMKUHNE-GFCCVEGCSA-N 1 0 365.293 2.135 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876699418 686246524 /nfs/dbraw/zinc/24/65/24/686246524.db2.gz YJYPLHAYWZSFGM-QMTHXVAHSA-N 1 0 359.239 2.451 20 10 FECDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000876729628 686255026 /nfs/dbraw/zinc/25/50/26/686255026.db2.gz SGRSXHDTIPKXOM-LBPRGKRZSA-N 1 0 359.392 2.156 20 10 FECDRO CCCOc1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1C ZINC000877566887 686410432 /nfs/dbraw/zinc/41/04/32/686410432.db2.gz BLTKZCVCGINZFA-UHFFFAOYSA-N 1 0 355.500 2.467 20 10 FECDRO Cc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c(O)c1 ZINC000877622618 686424351 /nfs/dbraw/zinc/42/43/51/686424351.db2.gz RHCFMZJIZBQRTB-UHFFFAOYSA-N 1 0 364.243 2.378 20 10 FECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891566167 689078820 /nfs/dbraw/zinc/07/88/20/689078820.db2.gz SHGDBWJEOSHCKH-DZGCQCFKSA-N 1 0 358.408 2.340 20 10 FECDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893691830 689386917 /nfs/dbraw/zinc/38/69/17/689386917.db2.gz WFKYPBWLAUFSFB-LBPRGKRZSA-N 1 0 352.431 2.366 20 10 FECDRO C[C@H](CO)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893875717 689421964 /nfs/dbraw/zinc/42/19/64/689421964.db2.gz PJETWKKQZGSRCC-MAUKXSAKSA-N 1 0 350.507 2.063 20 10 FECDRO COC(=O)c1c(C[NH2+][C@H](C)[C@H](CO)SC)c2cc(F)ccc2n1C ZINC000894279812 689499367 /nfs/dbraw/zinc/49/93/67/689499367.db2.gz AJVRPEKXTWROQY-BMIGLBTASA-N 1 0 354.447 2.306 20 10 FECDRO COc1cc(C)cc(C[NH2+]CCn2cc(Br)ccc2=O)c1O ZINC000894872243 689612368 /nfs/dbraw/zinc/61/23/68/689612368.db2.gz GUBRWKXBIQTMBQ-UHFFFAOYSA-N 1 0 367.243 2.423 20 10 FECDRO COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)C1(F)F ZINC000895051971 689648560 /nfs/dbraw/zinc/64/85/60/689648560.db2.gz UNITYXCHLIYCEB-MAZHCROVSA-N 1 0 354.397 2.165 20 10 FECDRO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1csnn1 ZINC000895375693 689705487 /nfs/dbraw/zinc/70/54/87/689705487.db2.gz BEGVLAVZLYREDO-MLGOLLRUSA-N 1 0 362.503 2.267 20 10 FECDRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2c(O)cccc2Cl)CC1 ZINC000895554246 689734729 /nfs/dbraw/zinc/73/47/29/689734729.db2.gz UGVZHURWSULIAE-UHFFFAOYSA-N 1 0 351.878 2.351 20 10 FECDRO Fc1cc(C[NH+]2CCC3(CC2)COCCO3)ccc1N1CCOCC1 ZINC000895695966 689755842 /nfs/dbraw/zinc/75/58/42/689755842.db2.gz KLPPYMNLRXKZIU-UHFFFAOYSA-N 1 0 350.434 2.044 20 10 FECDRO COc1cc(C)cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)c1O ZINC000896281766 689848717 /nfs/dbraw/zinc/84/87/17/689848717.db2.gz HZBYERRRQRKODA-UHFFFAOYSA-N 1 0 370.515 2.439 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1O ZINC000896386001 689866755 /nfs/dbraw/zinc/86/67/55/689866755.db2.gz WJNNYKDIMSOGCS-SNVBAGLBSA-N 1 0 358.232 2.358 20 10 FECDRO Cc1cccc(O)c1C[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000897272125 689998641 /nfs/dbraw/zinc/99/86/41/689998641.db2.gz XQNBCORGSNRRKY-UHFFFAOYSA-N 1 0 352.500 2.481 20 10 FECDRO O[C@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1(O)CCC1 ZINC000905084080 691064879 /nfs/dbraw/zinc/06/48/79/691064879.db2.gz SGZVNQWQLQOKTO-MRXNPFEDSA-N 1 0 356.413 2.122 20 10 FECDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000067592088 541485654 /nfs/dbraw/zinc/48/56/54/541485654.db2.gz MDECIXHZJOYGAC-HUUCEWRRSA-N 1 0 351.466 2.396 20 10 FECDRO CS(=O)(=O)N1CC[C@H](C[N@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000801517038 674133287 /nfs/dbraw/zinc/13/32/87/674133287.db2.gz JNNSWQVRGKYBJR-OAHLLOKOSA-N 1 0 352.500 2.418 20 10 FECDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000801734429 674146461 /nfs/dbraw/zinc/14/64/61/674146461.db2.gz BLODVYVLWIFRFI-HNNXBMFYSA-N 1 0 360.479 2.468 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000077670433 542406432 /nfs/dbraw/zinc/40/64/32/542406432.db2.gz GIBWCPVIXNUTRH-SFHVURJKSA-N 1 0 374.529 2.395 20 10 FECDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000328628859 132371609 /nfs/dbraw/zinc/37/16/09/132371609.db2.gz HQYQQBMLAULMOX-QUCCMNQESA-N 1 0 369.469 2.207 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1O ZINC000092672568 542880610 /nfs/dbraw/zinc/88/06/10/542880610.db2.gz KVKCNMNHCVRYQE-OAHLLOKOSA-N 1 0 350.484 2.331 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)CCOC)cc2F)CC1 ZINC000106553409 543237572 /nfs/dbraw/zinc/23/75/72/543237572.db2.gz GUYJYVPSVBTXHP-HNNXBMFYSA-N 1 0 366.481 2.192 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000141822301 544414493 /nfs/dbraw/zinc/41/44/93/544414493.db2.gz IBASQHSAPDHCQT-UHFFFAOYSA-N 1 0 358.530 2.319 20 10 FECDRO C[C@@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000150936030 544488888 /nfs/dbraw/zinc/48/88/88/544488888.db2.gz DXFIVBDJFVKNLN-BRWVUGGUSA-N 1 0 365.493 2.422 20 10 FECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000154058348 544858836 /nfs/dbraw/zinc/85/88/36/544858836.db2.gz MFJOLVBXBISXKJ-KJRVTTDBSA-N 1 0 369.509 2.479 20 10 FECDRO C[C@H]1CCC[N@@H+]1C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000154900444 544962989 /nfs/dbraw/zinc/96/29/89/544962989.db2.gz FLMNDJBNBSVTSU-LBPRGKRZSA-N 1 0 360.414 2.379 20 10 FECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000157064055 545696505 /nfs/dbraw/zinc/69/65/05/545696505.db2.gz YMGVMISZCSRLBX-HNNXBMFYSA-N 1 0 362.470 2.404 20 10 FECDRO COc1ccc(N2CCCN(C(=O)C3([NH3+])Cc4ccccc4C3)CC2)cc1 ZINC000178724326 546839431 /nfs/dbraw/zinc/83/94/31/546839431.db2.gz QXWFYVCQXHSAGF-UHFFFAOYSA-N 1 0 365.477 2.230 20 10 FECDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000180608831 547141727 /nfs/dbraw/zinc/14/17/27/547141727.db2.gz WSHZNNDNOBCRPS-RDJZCZTQSA-N 1 0 355.486 2.343 20 10 FECDRO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cc(F)ccc1O ZINC000184981100 547911197 /nfs/dbraw/zinc/91/11/97/547911197.db2.gz KOWNPODNZOXLMW-HNNXBMFYSA-N 1 0 359.449 2.184 20 10 FECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c1 ZINC000184980774 547911219 /nfs/dbraw/zinc/91/12/19/547911219.db2.gz MUSWTFDHMUPMRR-QGZVFWFLSA-N 1 0 355.486 2.354 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000186141249 548090449 /nfs/dbraw/zinc/09/04/49/548090449.db2.gz OOUAZVYJXAUVIH-GFCCVEGCSA-N 1 0 370.496 2.434 20 10 FECDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000186147459 548091820 /nfs/dbraw/zinc/09/18/20/548091820.db2.gz LYIZAIWOFGFIDK-MRXNPFEDSA-N 1 0 374.529 2.096 20 10 FECDRO COc1cc(N2CC[NH+](C[C@@H]3CC[C@@H](C)O3)CC2)cc(OC)c1OC ZINC000191106058 548340113 /nfs/dbraw/zinc/34/01/13/548340113.db2.gz GZLOBXYHGLXVAM-ZBFHGGJFSA-N 1 0 350.459 2.402 20 10 FECDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc4c(cc3O)OCO4)C2=O)cc1 ZINC000191797626 548351178 /nfs/dbraw/zinc/35/11/78/548351178.db2.gz ZBNFBBBEPLBHEB-MRXNPFEDSA-N 1 0 354.406 2.320 20 10 FECDRO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H](C)[NH3+] ZINC000192099428 548358812 /nfs/dbraw/zinc/35/88/12/548358812.db2.gz LOZQMZYUIWKHIG-NEPJUHHUSA-N 1 0 359.392 2.142 20 10 FECDRO CCOc1cccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1O ZINC000236932835 548788982 /nfs/dbraw/zinc/78/89/82/548788982.db2.gz KQVRVRBFNDARMD-UHFFFAOYSA-N 1 0 364.467 2.000 20 10 FECDRO COc1cc(OC)c(CNC(=O)C[N@H+](C)Cc2ccccc2O)c(OC)c1 ZINC000264698509 549999499 /nfs/dbraw/zinc/99/94/99/549999499.db2.gz JHRZPAHCBSZMNR-UHFFFAOYSA-N 1 0 374.437 2.166 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000264679137 549999629 /nfs/dbraw/zinc/99/96/29/549999629.db2.gz YZUNWYPIGCOAIW-IECUYZFFSA-N 1 0 355.482 2.279 20 10 FECDRO Cc1cc(NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)n(C)n1 ZINC000265129820 550006628 /nfs/dbraw/zinc/00/66/28/550006628.db2.gz MQKOCRVCRWXKCH-INIZCTEOSA-N 1 0 358.442 2.054 20 10 FECDRO CCc1ocnc1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000265717645 550013690 /nfs/dbraw/zinc/01/36/90/550013690.db2.gz QIXSNQMYWKCZSB-UHFFFAOYSA-N 1 0 372.469 2.188 20 10 FECDRO COc1cccc(CNC(=O)NCc2ccccc2OCC[NH+](C)C)c1O ZINC000266685815 550022971 /nfs/dbraw/zinc/02/29/71/550022971.db2.gz DKJBUECLUKWNKE-UHFFFAOYSA-N 1 0 373.453 2.341 20 10 FECDRO CCOc1cccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1O ZINC000271136148 550343830 /nfs/dbraw/zinc/34/38/30/550343830.db2.gz MRKPFHVBQNZHHX-GOEBONIOSA-N 1 0 350.459 2.154 20 10 FECDRO CCCN(CCC)c1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000272882721 550475157 /nfs/dbraw/zinc/47/51/57/550475157.db2.gz YAGVOXDKIHXDHD-UHFFFAOYSA-N 1 0 358.486 2.487 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)cc1 ZINC000278748131 550818013 /nfs/dbraw/zinc/81/80/13/550818013.db2.gz RWCBKLOZIXHUGZ-ICSRJNTNSA-N 1 0 350.503 2.379 20 10 FECDRO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000282972795 551291627 /nfs/dbraw/zinc/29/16/27/551291627.db2.gz LMMDAWANPPPHJZ-MRXNPFEDSA-N 1 0 356.422 2.170 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+]Cc3c(C)cnn3C)CC2)cc1 ZINC000285448965 551758345 /nfs/dbraw/zinc/75/83/45/551758345.db2.gz MACHFLVVTIFOFZ-UHFFFAOYSA-N 1 0 357.502 2.039 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000285822703 551815486 /nfs/dbraw/zinc/81/54/86/551815486.db2.gz UBHBXYRCOZDYOT-SIKLNZKXSA-N 1 0 371.525 2.291 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287069246 551959475 /nfs/dbraw/zinc/95/94/75/551959475.db2.gz HETNQSZFOUTVLM-DLBZAZTESA-N 1 0 361.486 2.120 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000289250057 552289199 /nfs/dbraw/zinc/28/91/99/552289199.db2.gz FCSXBEVDZSGGOX-INIZCTEOSA-N 1 0 373.497 2.288 20 10 FECDRO COc1cccc(C[NH2+]Cc2c(C)n(C)n(-c3ccccc3)c2=O)c1O ZINC000289415844 552317230 /nfs/dbraw/zinc/31/72/30/552317230.db2.gz IKZXXYJMMMPNLQ-UHFFFAOYSA-N 1 0 353.422 2.488 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000289947852 552404121 /nfs/dbraw/zinc/40/41/21/552404121.db2.gz YPAUSVZNYCPWLC-KUHUBIRLSA-N 1 0 361.442 2.134 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1O ZINC000290095639 552426664 /nfs/dbraw/zinc/42/66/64/552426664.db2.gz HRPOQOCCVPSPOR-JTQLQIEISA-N 1 0 365.293 2.005 20 10 FECDRO Cc1cc(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)ccc1N(C)C ZINC000293549366 552834393 /nfs/dbraw/zinc/83/43/93/552834393.db2.gz RCVRPDKUOYKECI-UHFFFAOYSA-N 1 0 365.485 2.060 20 10 FECDRO COC1CCN(c2ccc(CN3CC[N@H+](C[C@H](C)O)C[C@H]3C)cc2)CC1 ZINC000295653029 553039409 /nfs/dbraw/zinc/03/94/09/553039409.db2.gz DEYQDVHEPVTABK-MSOLQXFVSA-N 1 0 361.530 2.189 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+]Cc3c(C)n[nH]c3C)CC2)cc1 ZINC000298945345 553493105 /nfs/dbraw/zinc/49/31/05/553493105.db2.gz BHGJUAKHOCORPI-UHFFFAOYSA-N 1 0 357.502 2.337 20 10 FECDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000299394474 553557561 /nfs/dbraw/zinc/55/75/61/553557561.db2.gz VZUIXMJTVVELKJ-INIZCTEOSA-N 1 0 362.518 2.035 20 10 FECDRO C[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCN(C)CC1 ZINC000299688492 553601532 /nfs/dbraw/zinc/60/15/32/553601532.db2.gz TWGWEPNRILREFK-GOSISDBHSA-N 1 0 358.530 2.271 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1O ZINC000369083891 556500566 /nfs/dbraw/zinc/50/05/66/556500566.db2.gz KRAMUHTULWMBDQ-CQSZACIVSA-N 1 0 371.275 2.116 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1 ZINC000371371395 557164929 /nfs/dbraw/zinc/16/49/29/557164929.db2.gz BOIZUOZBXXIQDV-UHFFFAOYSA-N 1 0 362.470 2.252 20 10 FECDRO CCCOc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c(O)c1 ZINC000372006734 557354285 /nfs/dbraw/zinc/35/42/85/557354285.db2.gz NNOHSLXXYOXXKK-HXUWFJFHSA-N 1 0 364.486 2.152 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1O ZINC000372037132 557362800 /nfs/dbraw/zinc/36/28/00/557362800.db2.gz KMEPXGJOHOYEKW-CQSZACIVSA-N 1 0 360.414 2.006 20 10 FECDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)NC(=O)NC1=O ZINC000372410660 557463835 /nfs/dbraw/zinc/46/38/35/557463835.db2.gz VBAQUNLUSYOMIL-VLIAUNLRSA-N 1 0 353.422 2.356 20 10 FECDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000372778077 557560951 /nfs/dbraw/zinc/56/09/51/557560951.db2.gz ZLIFVUGMFKJKHB-PIYBKPHJSA-N 1 0 355.482 2.266 20 10 FECDRO O=C(CC1OCCCO1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373539315 557713735 /nfs/dbraw/zinc/71/37/35/557713735.db2.gz QZYHEKQZHAPQFK-HNNXBMFYSA-N 1 0 368.861 2.279 20 10 FECDRO CN1CCN(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C(=O)C1 ZINC000374753701 557925886 /nfs/dbraw/zinc/92/58/86/557925886.db2.gz LVOSMOXPARSRQQ-UHFFFAOYSA-N 1 0 370.541 2.415 20 10 FECDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000375279585 558003490 /nfs/dbraw/zinc/00/34/90/558003490.db2.gz NWPDDMFBMQILCN-UHFFFAOYSA-N 1 0 374.529 2.275 20 10 FECDRO C[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1C[NH2+]C1 ZINC000375912989 558098656 /nfs/dbraw/zinc/09/86/56/558098656.db2.gz FSSAYVZSEPYRJI-GFCCVEGCSA-N 1 0 353.413 2.229 20 10 FECDRO c1cnnc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000375932625 558101828 /nfs/dbraw/zinc/10/18/28/558101828.db2.gz ODIIFVSYMABZAI-UHFFFAOYSA-N 1 0 353.470 2.072 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)cc1C ZINC000378193509 558499867 /nfs/dbraw/zinc/49/98/67/558499867.db2.gz SRRAUZGJOHXZLK-MRXNPFEDSA-N 1 0 366.469 2.453 20 10 FECDRO CCc1nc(CN2CCC[C@H]([N@H+](C)Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000378343181 558534342 /nfs/dbraw/zinc/53/43/42/558534342.db2.gz RQNNHKDATVASDQ-AWEZNQCLSA-N 1 0 374.441 2.163 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)c1ccccc1O ZINC000378626186 558596768 /nfs/dbraw/zinc/59/67/68/558596768.db2.gz RRZFVQOVEQVOHZ-CABCVRRESA-N 1 0 352.442 2.397 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000525925208 562259919 /nfs/dbraw/zinc/25/99/19/562259919.db2.gz GFDIEWVSJYIKBC-INIZCTEOSA-N 1 0 371.529 2.312 20 10 FECDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 ZINC000414646652 559176891 /nfs/dbraw/zinc/17/68/91/559176891.db2.gz PTEPPBFENGQGPM-GFCCVEGCSA-N 1 0 356.451 2.412 20 10 FECDRO COCC1(CNC(=O)NCc2c(C)c3ccccc3n2C)CC[NH2+]CC1 ZINC000418102203 559390135 /nfs/dbraw/zinc/39/01/35/559390135.db2.gz TWMYVUCQUJFTDB-UHFFFAOYSA-N 1 0 358.486 2.302 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c(Cl)c1 ZINC000527753666 562302680 /nfs/dbraw/zinc/30/26/80/562302680.db2.gz LWDNCWUEMORDHL-GOSISDBHSA-N 1 0 354.878 2.059 20 10 FECDRO CN(C)c1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1F ZINC000736780301 599488401 /nfs/dbraw/zinc/48/84/01/599488401.db2.gz PSBVQLUQUSTUDQ-UHFFFAOYSA-N 1 0 366.404 2.009 20 10 FECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(O)c1 ZINC000809785414 674509972 /nfs/dbraw/zinc/50/99/72/674509972.db2.gz WHSJBMYPYOWRJZ-CQSZACIVSA-N 1 0 368.499 2.085 20 10 FECDRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(O)cccc1OC ZINC000826158777 608566799 /nfs/dbraw/zinc/56/67/99/608566799.db2.gz BXMCIAHJIQSNAN-UHFFFAOYSA-N 1 0 369.425 2.230 20 10 FECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000814300984 674831174 /nfs/dbraw/zinc/83/11/74/674831174.db2.gz OTQIJVWMIMCTTN-OAHLLOKOSA-N 1 0 351.466 2.304 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ccc1N(C)C ZINC000815116466 674920822 /nfs/dbraw/zinc/92/08/22/674920822.db2.gz ORNCTJISBYCALD-KRWDZBQOSA-N 1 0 353.532 2.164 20 10 FECDRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090883068 670715314 /nfs/dbraw/zinc/71/53/14/670715314.db2.gz MIKCAADXTBUSBM-CQSZACIVSA-N 1 0 370.490 2.138 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)c1O ZINC000131050314 672083546 /nfs/dbraw/zinc/08/35/46/672083546.db2.gz RJTDKETZMLPVER-HOGDKLEQSA-N 1 0 350.278 2.362 20 10 FECDRO Cc1cc(C(=O)NCCN2CC[NH2+]CC2)c(C)n1-c1cccc(Cl)c1 ZINC000237725725 672811732 /nfs/dbraw/zinc/81/17/32/672811732.db2.gz KNKVMIBLANYIJT-UHFFFAOYSA-N 1 0 360.889 2.383 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000289226644 672988806 /nfs/dbraw/zinc/98/88/06/672988806.db2.gz CVCXZXNCLHKXGH-ZENOOKHLSA-N 1 0 356.488 2.159 20 10 FECDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCS(=O)(=O)CC3)cc2F)C[C@H](C)O1 ZINC000291235399 672994740 /nfs/dbraw/zinc/99/47/40/672994740.db2.gz ULQXHFDDQGOMGS-KBPBESRZSA-N 1 0 370.490 2.106 20 10 FECDRO CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c(O)c1 ZINC000725848726 673094138 /nfs/dbraw/zinc/09/41/38/673094138.db2.gz FBQLDYDAGMNVJY-UHFFFAOYSA-N 1 0 364.467 2.167 20 10 FECDRO COCCN(C)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000726977602 673149130 /nfs/dbraw/zinc/14/91/30/673149130.db2.gz ZIHOMAVSBJEDBT-UHFFFAOYSA-N 1 0 350.463 2.253 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCS[C@H](C(C)C)C1)cc2=O ZINC000744423587 673795823 /nfs/dbraw/zinc/79/58/23/673795823.db2.gz KXBJLRWVSJASJO-AWEZNQCLSA-N 1 0 364.471 2.185 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c1O ZINC000818360765 675216171 /nfs/dbraw/zinc/21/61/71/675216171.db2.gz CFAPIJFMVPEPPQ-SKDRFNHKSA-N 1 0 355.232 2.261 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819077681 675258483 /nfs/dbraw/zinc/25/84/83/675258483.db2.gz MSVLNNZJVCGWCZ-LJQANCHMSA-N 1 0 362.495 2.288 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 ZINC000822818088 675508927 /nfs/dbraw/zinc/50/89/27/675508927.db2.gz JOKWQXPHKOHXIK-QWHCGFSZSA-N 1 0 354.447 2.279 20 10 FECDRO COCC(C)(C)[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000824433566 675601892 /nfs/dbraw/zinc/60/18/92/675601892.db2.gz HRFYGSFNVFTAKS-UHFFFAOYSA-N 1 0 372.560 2.378 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCN2CCCO)c1O ZINC000824563674 675610727 /nfs/dbraw/zinc/61/07/27/675610727.db2.gz AELIDZCBKXDVRU-OAHLLOKOSA-N 1 0 357.292 2.400 20 10 FECDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000824601699 675613098 /nfs/dbraw/zinc/61/30/98/675613098.db2.gz MCXUKOJOPRTCGV-OAHLLOKOSA-N 1 0 355.276 2.451 20 10 FECDRO CC[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000824608786 675613309 /nfs/dbraw/zinc/61/33/09/675613309.db2.gz QPSZXLBWKNQXTK-OCCSQVGLSA-N 1 0 367.389 2.001 20 10 FECDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000825320311 675646614 /nfs/dbraw/zinc/64/66/14/675646614.db2.gz IOBDZPVSZMFLQO-UHFFFAOYSA-N 1 0 350.278 2.458 20 10 FECDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715538 675665291 /nfs/dbraw/zinc/66/52/91/675665291.db2.gz ADUDIXOQSIXXQC-IUODEOHRSA-N 1 0 374.275 2.001 20 10 FECDRO Cc1cc(O)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1Cl ZINC000826121229 675682645 /nfs/dbraw/zinc/68/26/45/675682645.db2.gz NWLADHWTHPDXSS-UHFFFAOYSA-N 1 0 358.891 2.354 20 10 FECDRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCCSc1nccs1 ZINC000829528642 675881839 /nfs/dbraw/zinc/88/18/39/675881839.db2.gz UXTGMMUJMHZBPN-XHBSWPGZSA-N 1 0 355.529 2.274 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000761088420 680710468 /nfs/dbraw/zinc/71/04/68/680710468.db2.gz SJKQPLCJXMLZSS-GFCCVEGCSA-N 1 0 363.845 2.294 20 10 FECDRO CNC(=O)NC1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000840974453 680858108 /nfs/dbraw/zinc/85/81/08/680858108.db2.gz JCSVMCUJIMDARK-UHFFFAOYSA-N 1 0 356.264 2.357 20 10 FECDRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000841011255 680859405 /nfs/dbraw/zinc/85/94/05/680859405.db2.gz FYVZGPHJKWYCSH-ZDUSSCGKSA-N 1 0 353.413 2.238 20 10 FECDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000749792480 680075418 /nfs/dbraw/zinc/07/54/18/680075418.db2.gz LXSNKJUXGFEIGX-ZDUSSCGKSA-N 1 0 360.435 2.415 20 10 FECDRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834803280 680270282 /nfs/dbraw/zinc/27/02/82/680270282.db2.gz OWQPUEBVCSTLTN-RDJZCZTQSA-N 1 0 358.463 2.432 20 10 FECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)C2CCOCC2)cc1 ZINC000834892888 680280919 /nfs/dbraw/zinc/28/09/19/680280919.db2.gz XGNHJJYFMBKWFU-HNNXBMFYSA-N 1 0 354.516 2.387 20 10 FECDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](C)[N@H+]1C ZINC000836240533 680439937 /nfs/dbraw/zinc/43/99/37/680439937.db2.gz HXKVHPZGYLZJRA-IYBDPMFKSA-N 1 0 362.543 2.474 20 10 FECDRO C[C@@H]1C[C@@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000756512193 680482331 /nfs/dbraw/zinc/48/23/31/680482331.db2.gz XOTCTEXDMNSPLJ-BXUZGUMPSA-N 1 0 356.463 2.341 20 10 FECDRO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000841959157 680919149 /nfs/dbraw/zinc/91/91/49/680919149.db2.gz VNOSRIZCTHLUPO-AWEZNQCLSA-N 1 0 352.454 2.183 20 10 FECDRO Cc1cccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1F ZINC000842784785 680966167 /nfs/dbraw/zinc/96/61/67/680966167.db2.gz LVGUMHGDZYZQJN-OAHLLOKOSA-N 1 0 351.447 2.178 20 10 FECDRO O=C([C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CC[NH2+]CC1 ZINC000843047284 680984662 /nfs/dbraw/zinc/98/46/62/680984662.db2.gz PZHOJTWELPCPLA-LBPRGKRZSA-N 1 0 372.296 2.343 20 10 FECDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843066317 680985534 /nfs/dbraw/zinc/98/55/34/680985534.db2.gz UTFKVVCISIFAKS-FQEVSTJZSA-N 1 0 350.503 2.018 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843446503 681004351 /nfs/dbraw/zinc/00/43/51/681004351.db2.gz IEEFSCMOQLMFOE-AWEZNQCLSA-N 1 0 371.275 2.272 20 10 FECDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844582413 681067049 /nfs/dbraw/zinc/06/70/49/681067049.db2.gz JKJYOZAEDGLUTF-QGZVFWFLSA-N 1 0 364.559 2.422 20 10 FECDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000845936211 681163314 /nfs/dbraw/zinc/16/33/14/681163314.db2.gz JASGBWIAJMUOOD-KRWDZBQOSA-N 1 0 368.543 2.462 20 10 FECDRO CC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000846035530 681176114 /nfs/dbraw/zinc/17/61/14/681176114.db2.gz VIOGCQCEBDRMNP-DGCLKSJQSA-N 1 0 366.405 2.486 20 10 FECDRO CCN1C[C@H](C[NH2+]Cc2cc(Br)cc(OC)c2O)CC1=O ZINC000846092913 681182191 /nfs/dbraw/zinc/18/21/91/681182191.db2.gz KIPPTODMCVNNAN-JTQLQIEISA-N 1 0 357.248 2.121 20 10 FECDRO COc1cccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c1O ZINC000846141682 681188952 /nfs/dbraw/zinc/18/89/52/681188952.db2.gz MPTWIJLSIIAUFI-ZDUSSCGKSA-N 1 0 350.440 2.030 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000846474723 681246480 /nfs/dbraw/zinc/24/64/80/681246480.db2.gz AWXNETJMODJBHF-LJQANCHMSA-N 1 0 360.841 2.299 20 10 FECDRO COc1c(O)c(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000775029287 681269524 /nfs/dbraw/zinc/26/95/24/681269524.db2.gz ZUAXRRWKLGCUNB-AWEZNQCLSA-N 1 0 351.403 2.046 20 10 FECDRO Cc1cc(Br)cc(CN2CC[NH+](C(C)(C)CO)CC2)c1O ZINC000775703365 681325864 /nfs/dbraw/zinc/32/58/64/681325864.db2.gz PAYMAJVNLYZDDP-UHFFFAOYSA-N 1 0 357.292 2.352 20 10 FECDRO COC(=O)N1CC([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848536931 681574108 /nfs/dbraw/zinc/57/41/08/681574108.db2.gz YFBNCGXXVLPNSE-QMMMGPOBSA-N 1 0 359.220 2.265 20 10 FECDRO CC(=O)OC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000779813578 681755619 /nfs/dbraw/zinc/75/56/19/681755619.db2.gz TYFHBDPIWVYMIL-OAHLLOKOSA-N 1 0 368.861 2.468 20 10 FECDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605800 681763539 /nfs/dbraw/zinc/76/35/39/681763539.db2.gz JXJAJWWGDZHYTB-CVEARBPZSA-N 1 0 362.861 2.131 20 10 FECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850073187 681846821 /nfs/dbraw/zinc/84/68/21/681846821.db2.gz XNGDCPYNSZLLSR-DAXOMENPSA-N 1 0 350.434 2.074 20 10 FECDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850355693 681890339 /nfs/dbraw/zinc/89/03/39/681890339.db2.gz KGJHKLDGUUSXLW-JOWJHRDDSA-N 1 0 354.491 2.442 20 10 FECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000850376237 681894490 /nfs/dbraw/zinc/89/44/90/681894490.db2.gz DEVQCPWWQDYKAN-UHFFFAOYSA-N 1 0 366.527 2.360 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)CC1 ZINC000850435998 681901508 /nfs/dbraw/zinc/90/15/08/681901508.db2.gz QONPNILFBRFXSG-MRXNPFEDSA-N 1 0 354.541 2.297 20 10 FECDRO CC(C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000851628859 682097034 /nfs/dbraw/zinc/09/70/34/682097034.db2.gz LVRSFFFBSDGVGC-UHFFFAOYSA-N 1 0 359.392 2.156 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000852708444 682323900 /nfs/dbraw/zinc/32/39/00/682323900.db2.gz BLNMRCWWKLSZFV-MRXNPFEDSA-N 1 0 352.862 2.279 20 10 FECDRO C[NH+](C)CCC[C@H]1CN(C(=O)NCCCSc2nccs2)CCO1 ZINC000853857372 682479944 /nfs/dbraw/zinc/47/99/44/682479944.db2.gz AKJGBPOGFZPYLL-AWEZNQCLSA-N 1 0 372.560 2.378 20 10 FECDRO C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)c(F)cc1[O-] ZINC000854232699 682526794 /nfs/dbraw/zinc/52/67/94/682526794.db2.gz RZSRKFNKJUGBKB-ZETCQYMHSA-N 1 0 371.210 2.099 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=S)NC3(C)CC3)CC2)cc1 ZINC000789177947 682583727 /nfs/dbraw/zinc/58/37/27/682583727.db2.gz LLJIBGDJHUGVRQ-UHFFFAOYSA-N 1 0 362.543 2.224 20 10 FECDRO C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)cc(F)c1[O-] ZINC000925810669 683039874 /nfs/dbraw/zinc/03/98/74/683039874.db2.gz FHRITBPIPFMYME-SNVBAGLBSA-N 1 0 360.271 2.368 20 10 FECDRO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000927006046 683197667 /nfs/dbraw/zinc/19/76/67/683197667.db2.gz SCWDJYIQWNVSJW-AWEZNQCLSA-N 1 0 350.434 2.466 20 10 FECDRO Oc1cccc(Br)c1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000862238691 683556746 /nfs/dbraw/zinc/55/67/46/683556746.db2.gz FRUBQSDLEOFVTJ-HOCLYGCPSA-N 1 0 355.276 2.186 20 10 FECDRO Oc1cccc(Br)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000862418307 683588249 /nfs/dbraw/zinc/58/82/49/683588249.db2.gz MQKZULLGCBSWLP-CYBMUJFWSA-N 1 0 355.276 2.186 20 10 FECDRO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(Br)cc1O ZINC000866571247 684121000 /nfs/dbraw/zinc/12/10/00/684121000.db2.gz BSMALGSDMHNITI-SECBINFHSA-N 1 0 365.293 2.120 20 10 FECDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000866579960 684122621 /nfs/dbraw/zinc/12/26/21/684122621.db2.gz VTMCGXMKSZPOPT-GFCCVEGCSA-N 1 0 352.431 2.333 20 10 FECDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925055966 684521028 /nfs/dbraw/zinc/52/10/28/684521028.db2.gz QVGACJXNDAWOKK-MJGOQNOKSA-N 1 0 368.543 2.341 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000925143015 684528361 /nfs/dbraw/zinc/52/83/61/684528361.db2.gz PGTRJIFZWFOFEI-ROUUACIJSA-N 1 0 362.543 2.474 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c(Cl)nn(C)c2Cl)cc1 ZINC000876506434 686213552 /nfs/dbraw/zinc/21/35/52/686213552.db2.gz KFSIIWXZFLFBAG-LLVKDONJSA-N 1 0 356.257 2.223 20 10 FECDRO CC(=O)c1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000881853278 687235133 /nfs/dbraw/zinc/23/51/33/687235133.db2.gz PDDYYPGJVJJBMB-UHFFFAOYSA-N 1 0 358.467 2.028 20 10 FECDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)C(F)(F)F ZINC000883367389 687615498 /nfs/dbraw/zinc/61/54/98/687615498.db2.gz OEGLMVYRCGZWHV-CYBMUJFWSA-N 1 0 372.309 2.310 20 10 FECDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000886623755 688284637 /nfs/dbraw/zinc/28/46/37/688284637.db2.gz NFLUTCRTZIBICN-UONOGXRCSA-N 1 0 354.397 2.233 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CSCCS2)[NH+](C)C)cc1 ZINC000891252660 689040543 /nfs/dbraw/zinc/04/05/43/689040543.db2.gz LXNSQMTYNRNWGX-CVEARBPZSA-N 1 0 353.557 2.320 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000893739746 689397104 /nfs/dbraw/zinc/39/71/04/689397104.db2.gz CSCRDIGKZJLLKU-CVEARBPZSA-N 1 0 367.877 2.223 20 10 FECDRO C[C@@H](CO)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893875718 689421990 /nfs/dbraw/zinc/42/19/90/689421990.db2.gz PJETWKKQZGSRCC-QAPCUYQASA-N 1 0 350.507 2.063 20 10 FECDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894175304 689480929 /nfs/dbraw/zinc/48/09/29/689480929.db2.gz GGTJMTVFVRBUTA-UHFFFAOYSA-N 1 0 356.488 2.003 20 10 FECDRO COc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c(O)c1OC ZINC000894426682 689529897 /nfs/dbraw/zinc/52/98/97/689529897.db2.gz BIFSJCCTYBJSAH-AWEZNQCLSA-N 1 0 352.431 2.462 20 10 FECDRO COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)C1(F)F ZINC000895051972 689648655 /nfs/dbraw/zinc/64/86/55/689648655.db2.gz UNITYXCHLIYCEB-RCBQFDQVSA-N 1 0 354.397 2.165 20 10 FECDRO C[C@H](CCCO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098602 690303221 /nfs/dbraw/zinc/30/32/21/690303221.db2.gz PTKXTMVHYMBUOB-CRAIPNDOSA-N 1 0 350.507 2.063 20 10 FECDRO CC(C)[C@@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102477 690304447 /nfs/dbraw/zinc/30/44/47/690304447.db2.gz PUUAKHDOGAPSLO-MSOLQXFVSA-N 1 0 350.507 2.062 20 10 FECDRO CC(C)[C@@](C)(CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100918 690304498 /nfs/dbraw/zinc/30/44/98/690304498.db2.gz CZVJKYRCKUSUIX-IEBWSBKVSA-N 1 0 350.507 2.062 20 10 FECDRO C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(Br)cc1O ZINC000903432768 690893498 /nfs/dbraw/zinc/89/34/98/690893498.db2.gz RDXWCDDRNVRRDI-JTQLQIEISA-N 1 0 368.231 2.158 20 10 FECDRO [NH3+]C1(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000904449948 691029321 /nfs/dbraw/zinc/02/93/21/691029321.db2.gz NORFRNSLAJKYRY-UHFFFAOYSA-N 1 0 350.054 2.498 20 10 FECDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000906082458 691229544 /nfs/dbraw/zinc/22/95/44/691229544.db2.gz ROKRMVLUAAFBMP-CKEIUWERSA-N 1 0 351.466 2.429 20 10 FECDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000076320909 542260110 /nfs/dbraw/zinc/26/01/10/542260110.db2.gz FTKJVGWBQIATMZ-GOSISDBHSA-N 1 0 351.466 2.301 20 10 FECDRO Cc1cc(O)c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1C ZINC000066859617 541381890 /nfs/dbraw/zinc/38/18/90/541381890.db2.gz ZREOGAFNTVEDFV-UHFFFAOYSA-N 1 0 359.514 2.385 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3ccc4nnc(C)n4n3)cc2F)CC1 ZINC000068702895 541621159 /nfs/dbraw/zinc/62/11/59/541621159.db2.gz UHKGEJJZZHIDFZ-UHFFFAOYSA-N 1 0 369.448 2.326 20 10 FECDRO C[NH+](C)C/C=C/C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203253 542638739 /nfs/dbraw/zinc/63/87/39/542638739.db2.gz UJPHIFNDKNYODT-YVARQFDVSA-N 1 0 353.413 2.491 20 10 FECDRO C[C@H](Nc1cc(-n2cccn2)nc(N)[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000092892035 542894381 /nfs/dbraw/zinc/89/43/81/542894381.db2.gz PKBOMGCUQKFXKW-AWEZNQCLSA-N 1 0 365.441 2.254 20 10 FECDRO COc1cccc(CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)c1O ZINC000105651285 543179173 /nfs/dbraw/zinc/17/91/73/543179173.db2.gz UCBQAWRADLOANC-UHFFFAOYSA-N 1 0 369.465 2.078 20 10 FECDRO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000111235251 543388506 /nfs/dbraw/zinc/38/85/06/543388506.db2.gz PBZQMDZZIPGZFQ-GDBMZVCRSA-N 1 0 356.422 2.169 20 10 FECDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000247500695 549344912 /nfs/dbraw/zinc/34/49/12/549344912.db2.gz VADBEIADBONWNZ-ARGQNCHBSA-N 1 0 355.482 2.232 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1O ZINC000528729531 562344389 /nfs/dbraw/zinc/34/43/89/562344389.db2.gz SSQFYOOYXWMKCX-UHFFFAOYSA-N 1 0 350.434 2.421 20 10 FECDRO CC(=O)NC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000161352495 546122294 /nfs/dbraw/zinc/12/22/94/546122294.db2.gz LDSYTBUAOMQJSA-UHFFFAOYSA-N 1 0 363.477 2.324 20 10 FECDRO O=C(NCCCC[NH+]1CCOCC1)NCc1c(O)ccc2c1CCCC2 ZINC000175523398 546312713 /nfs/dbraw/zinc/31/27/13/546312713.db2.gz FEPTUNHWFGHNQH-UHFFFAOYSA-N 1 0 361.486 2.183 20 10 FECDRO C[C@H]([N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1(C)CC1 ZINC000177231120 546576425 /nfs/dbraw/zinc/57/64/25/546576425.db2.gz FMTNAFNKEDZWCP-HNNXBMFYSA-N 1 0 363.477 2.399 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000177952833 546713212 /nfs/dbraw/zinc/71/32/12/546713212.db2.gz FFESYKUHQKGKKW-QKNQBKEWSA-N 1 0 370.541 2.175 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1 ZINC000178711285 546836827 /nfs/dbraw/zinc/83/68/27/546836827.db2.gz NHRMCRRLBQVMIU-UHFFFAOYSA-N 1 0 370.501 2.287 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000179859662 547021560 /nfs/dbraw/zinc/02/15/60/547021560.db2.gz ACYXHKRKNQRQQJ-UXLLHSPISA-N 1 0 364.486 2.483 20 10 FECDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(F)ccc1O ZINC000185686060 548020596 /nfs/dbraw/zinc/02/05/96/548020596.db2.gz VHWIFJDTKPYROI-SECBINFHSA-N 1 0 370.368 2.496 20 10 FECDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cccc(O)c3O)CC2)C[C@@H](C)O1 ZINC000187170069 548252750 /nfs/dbraw/zinc/25/27/50/548252750.db2.gz NTHCZTMJSNLLTP-HUUCEWRRSA-N 1 0 362.470 2.449 20 10 FECDRO CCOC1CC(C[NH2+][C@@H](C)c2cc(OC)ccc2O)(N2CCOCC2)C1 ZINC000193407609 548386794 /nfs/dbraw/zinc/38/67/94/548386794.db2.gz HKIQXPOYCYJFQQ-FVWXCPNNSA-N 1 0 364.486 2.321 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccncn3)cc2F)CC1 ZINC000194153928 548441711 /nfs/dbraw/zinc/44/17/11/548441711.db2.gz VHSFFLQAAKDJMS-UHFFFAOYSA-N 1 0 358.421 2.079 20 10 FECDRO CCOc1cccc(C[NH2+]CC2(N3CCOCC3)CC(OCC)C2)c1O ZINC000195459636 548643049 /nfs/dbraw/zinc/64/30/49/548643049.db2.gz QIMUCQCNRVVGLY-UHFFFAOYSA-N 1 0 364.486 2.150 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237831205 548857061 /nfs/dbraw/zinc/85/70/61/548857061.db2.gz DJZZLPCVTAYVJK-SZMVWBNQSA-N 1 0 361.461 2.199 20 10 FECDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccc(F)cc1 ZINC000264820729 550002242 /nfs/dbraw/zinc/00/22/42/550002242.db2.gz ZPLKRBJSPOSEPL-GOSISDBHSA-N 1 0 358.461 2.209 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCCS3)CC2)cc1 ZINC000266612684 550022125 /nfs/dbraw/zinc/02/21/25/550022125.db2.gz RNXOCJHYONOWNX-SFHVURJKSA-N 1 0 363.527 2.219 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1 ZINC000271115800 550341872 /nfs/dbraw/zinc/34/18/72/550341872.db2.gz BOVLQJNXONOCGB-LSDHHAIUSA-N 1 0 350.459 2.154 20 10 FECDRO COc1cc(O)c(C[NH2+]CCCN2C(=O)COc3ccccc32)cc1OC ZINC000271788244 550402072 /nfs/dbraw/zinc/40/20/72/550402072.db2.gz GCYDTJXEDINKKC-UHFFFAOYSA-N 1 0 372.421 2.315 20 10 FECDRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)N1 ZINC000271893598 550409110 /nfs/dbraw/zinc/40/91/10/550409110.db2.gz SPSGDJFETWWKEG-UHFFFAOYSA-N 1 0 356.470 2.287 20 10 FECDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000272594549 550459760 /nfs/dbraw/zinc/45/97/60/550459760.db2.gz IEZCHTQVWBJILJ-UYLUUYTCSA-N 1 0 355.482 2.089 20 10 FECDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000273046791 550481949 /nfs/dbraw/zinc/48/19/49/550481949.db2.gz XTZZEWICHNAGRP-PVPMGCCUSA-N 1 0 373.522 2.457 20 10 FECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000273613448 550505143 /nfs/dbraw/zinc/50/51/43/550505143.db2.gz WVDGIIYDKZFFDT-GDBMZVCRSA-N 1 0 350.459 2.066 20 10 FECDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277403448 550666368 /nfs/dbraw/zinc/66/63/68/550666368.db2.gz JZRMWFXIQDCPGP-HZMBPMFUSA-N 1 0 368.275 2.437 20 10 FECDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cc(F)ccc1O ZINC000280046649 550955709 /nfs/dbraw/zinc/95/57/09/550955709.db2.gz XEWNFJYCEGHKHL-RDJZCZTQSA-N 1 0 350.413 2.309 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc2c(cc1O)CCCC2 ZINC000280888255 551042875 /nfs/dbraw/zinc/04/28/75/551042875.db2.gz DWQCJJVGXAKXFW-KBPBESRZSA-N 1 0 368.481 2.480 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCCO3)cc2F)CC1 ZINC000283525659 551381729 /nfs/dbraw/zinc/38/17/29/551381729.db2.gz BJKAYCJOCXJBJU-UHFFFAOYSA-N 1 0 350.438 2.205 20 10 FECDRO COc1c(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273725 552293525 /nfs/dbraw/zinc/29/35/25/552293525.db2.gz GNKWEHWKYXXUKY-WDEREUQCSA-N 1 0 364.320 2.302 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1OC ZINC000289731903 552369370 /nfs/dbraw/zinc/36/93/70/552369370.db2.gz PVOWLEOGXVDZSD-OAHLLOKOSA-N 1 0 363.458 2.179 20 10 FECDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000289857026 552389778 /nfs/dbraw/zinc/38/97/78/552389778.db2.gz GFHWLHCVCHRMKA-KKBFJZEXSA-N 1 0 363.477 2.444 20 10 FECDRO OC1CCN(c2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2F)CC1 ZINC000290976254 552571397 /nfs/dbraw/zinc/57/13/97/552571397.db2.gz YCBFEBIDZFMOGY-UHFFFAOYSA-N 1 0 355.417 2.348 20 10 FECDRO C[C@@H]([NH2+]CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H](C)CO ZINC000295711398 553048182 /nfs/dbraw/zinc/04/81/82/553048182.db2.gz KEKMUHABXRNYPE-CHWSQXEVSA-N 1 0 366.417 2.007 20 10 FECDRO COC1CCN(c2ccc(C[NH+]3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000296638233 553191664 /nfs/dbraw/zinc/19/16/64/553191664.db2.gz WFSCOHYLTIKFND-UHFFFAOYSA-N 1 0 367.497 2.414 20 10 FECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000298445358 553425644 /nfs/dbraw/zinc/42/56/44/553425644.db2.gz VLBAMZDRVMXGDO-UHFFFAOYSA-N 1 0 374.529 2.042 20 10 FECDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2=O)n1 ZINC000360091169 554862472 /nfs/dbraw/zinc/86/24/72/554862472.db2.gz ARHJWTDNNRUMOE-GOSISDBHSA-N 1 0 353.470 2.306 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000363786993 555185971 /nfs/dbraw/zinc/18/59/71/555185971.db2.gz SRZIERGMALGGLI-SJLPKXTDSA-N 1 0 355.486 2.186 20 10 FECDRO CN1CCCc2cc(CNC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)ccc21 ZINC000364200779 555268442 /nfs/dbraw/zinc/26/84/42/555268442.db2.gz LAKWHVGKKVKTBH-PLMTUMEDSA-N 1 0 357.498 2.218 20 10 FECDRO COCCOCCOCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000364256912 555279547 /nfs/dbraw/zinc/27/95/47/555279547.db2.gz VVYDDYZDTHZXFB-UHFFFAOYSA-N 1 0 366.502 2.323 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(c2ncccn2)CC1 ZINC000367466897 556058142 /nfs/dbraw/zinc/05/81/42/556058142.db2.gz DJUSNHKDFWLITB-UHFFFAOYSA-N 1 0 367.497 2.414 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000367603764 556095092 /nfs/dbraw/zinc/09/50/92/556095092.db2.gz OAIZQJKLSYWYKY-YOFSQIOKSA-N 1 0 358.530 2.268 20 10 FECDRO CC[C@H](c1ccccc1O)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000368037473 556200635 /nfs/dbraw/zinc/20/06/35/556200635.db2.gz NASYVURSRAFMNG-DOTOQJQBSA-N 1 0 352.500 2.084 20 10 FECDRO CC[C@H](c1ccccc1O)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000368037574 556200951 /nfs/dbraw/zinc/20/09/51/556200951.db2.gz NASYVURSRAFMNG-NVXWUHKLSA-N 1 0 352.500 2.084 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000369966515 556743619 /nfs/dbraw/zinc/74/36/19/556743619.db2.gz AQRYLVXTAZWHSC-QUCCMNQESA-N 1 0 357.498 2.356 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000369966513 556743933 /nfs/dbraw/zinc/74/39/33/556743933.db2.gz AQRYLVXTAZWHSC-AZUAARDMSA-N 1 0 357.498 2.356 20 10 FECDRO C[C@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000370654470 556932334 /nfs/dbraw/zinc/93/23/34/556932334.db2.gz YZSAWWHKRRYYTL-KRWDZBQOSA-N 1 0 358.530 2.490 20 10 FECDRO CN(C)c1ccc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000371086900 557070411 /nfs/dbraw/zinc/07/04/11/557070411.db2.gz LVJQSPXXGIVHCL-UHFFFAOYSA-N 1 0 351.516 2.189 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1O ZINC000371183694 557100184 /nfs/dbraw/zinc/10/01/84/557100184.db2.gz FUFJQQJHYNECFH-SFHVURJKSA-N 1 0 363.477 2.334 20 10 FECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1O ZINC000371601037 557235839 /nfs/dbraw/zinc/23/58/39/557235839.db2.gz FPLPPFQPTSRFBG-CYBMUJFWSA-N 1 0 364.471 2.175 20 10 FECDRO COc1ccc(N2CCC[N@@H+]([C@@H](Cc3ccc(F)cc3)C(N)=O)CC2)cc1 ZINC000371689557 557263638 /nfs/dbraw/zinc/26/36/38/557263638.db2.gz QHTKGIBJWFCINH-FQEVSTJZSA-N 1 0 371.456 2.443 20 10 FECDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372081580 557375594 /nfs/dbraw/zinc/37/55/94/557375594.db2.gz OHZOURMOFSYEAE-LEWJYISDSA-N 1 0 357.498 2.499 20 10 FECDRO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCOC[C@@H]1C1CC1 ZINC000372319386 557438663 /nfs/dbraw/zinc/43/86/63/557438663.db2.gz SMBZIYMGVVPVLV-RTBURBONSA-N 1 0 374.481 2.011 20 10 FECDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1 ZINC000372713615 557544588 /nfs/dbraw/zinc/54/45/88/557544588.db2.gz JQRUXBWBTHHUDH-CQSZACIVSA-N 1 0 370.453 2.168 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cc1OC ZINC000372841361 557573431 /nfs/dbraw/zinc/57/34/31/557573431.db2.gz YYIDIDYSUSQGNT-UHFFFAOYSA-N 1 0 359.426 2.086 20 10 FECDRO OC[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOc2ccccc21 ZINC000374137222 557829943 /nfs/dbraw/zinc/82/99/43/557829943.db2.gz SPYCZGCCRJDMAU-OAQYLSRUSA-N 1 0 354.450 2.283 20 10 FECDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000376046772 558118860 /nfs/dbraw/zinc/11/88/60/558118860.db2.gz RJBQLZRSEZTKRK-GOSISDBHSA-N 1 0 355.486 2.015 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)c1 ZINC000377721160 558405417 /nfs/dbraw/zinc/40/54/17/558405417.db2.gz SQBQKKSSZKFWQS-WXHSDQCUSA-N 1 0 350.394 2.360 20 10 FECDRO COc1ccc(N2CCC[N@H+](CC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000378275568 558517355 /nfs/dbraw/zinc/51/73/55/558517355.db2.gz HTSQLNUIVYSBPK-UHFFFAOYSA-N 1 0 352.500 2.032 20 10 FECDRO COCCc1noc(CC2CC[NH+](Cc3cc(OC)ccc3O)CC2)n1 ZINC000529639345 562379722 /nfs/dbraw/zinc/37/97/22/562379722.db2.gz AWNWLCIBBWYYCO-UHFFFAOYSA-N 1 0 361.442 2.427 20 10 FECDRO Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000822761356 599455679 /nfs/dbraw/zinc/45/56/79/599455679.db2.gz KGCLXSWPGQTMPL-UHFFFAOYSA-N 1 0 368.416 2.132 20 10 FECDRO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)C1CC1 ZINC000809784129 674509965 /nfs/dbraw/zinc/50/99/65/674509965.db2.gz HJXYNLDXEYJKNF-LBPRGKRZSA-N 1 0 358.891 2.339 20 10 FECDRO Fc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)ccc1N1CCOCC1 ZINC000822748111 606411491 /nfs/dbraw/zinc/41/14/91/606411491.db2.gz IJKXDZUOGABLCE-UHFFFAOYSA-N 1 0 374.445 2.194 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210275 608502173 /nfs/dbraw/zinc/50/21/73/608502173.db2.gz KWBDHQHFGGRLHQ-GFCCVEGCSA-N 1 0 355.398 2.311 20 10 FECDRO COc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000826216159 608853594 /nfs/dbraw/zinc/85/35/94/608853594.db2.gz MTAIOSSGZVCMNE-QGZVFWFLSA-N 1 0 367.409 2.154 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC([C@H](O)C(=O)OC)CC2)cc1F ZINC000092014795 670733684 /nfs/dbraw/zinc/73/36/84/670733684.db2.gz LJHTXTJHBMPEJA-SFHVURJKSA-N 1 0 352.450 2.418 20 10 FECDRO CCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092558793 670742241 /nfs/dbraw/zinc/74/22/41/670742241.db2.gz WYIKYWYFIOEQAZ-UHFFFAOYSA-N 1 0 351.516 2.048 20 10 FECDRO COC[C@@]1(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC[NH2+]1 ZINC000817974384 675188670 /nfs/dbraw/zinc/18/86/70/675188670.db2.gz LCGRSIHQLWSVFK-BEFAXECRSA-N 1 0 351.466 2.082 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NOCC(C)C)cc2F)CC1 ZINC000127803097 672041565 /nfs/dbraw/zinc/04/15/65/672041565.db2.gz RZWFJYYMRFQIDU-UHFFFAOYSA-N 1 0 352.454 2.354 20 10 FECDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(N(C)C)cc2)c(C)s1 ZINC000158376339 672269056 /nfs/dbraw/zinc/26/90/56/672269056.db2.gz FHINGROGTCYETO-UHFFFAOYSA-N 1 0 367.540 2.499 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1O ZINC000159534188 672283112 /nfs/dbraw/zinc/28/31/12/672283112.db2.gz PUTMESBZBLWACS-NXEZZACHSA-N 1 0 357.248 2.249 20 10 FECDRO CCS(=O)(=O)NC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000179438389 672402108 /nfs/dbraw/zinc/40/21/08/672402108.db2.gz DAFGEPOGWODXML-UHFFFAOYSA-N 1 0 352.500 2.175 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C[C@@H](O)C[NH+]1CCCC1 ZINC000743870953 673774221 /nfs/dbraw/zinc/77/42/21/673774221.db2.gz JCCKGYTWKUUWLW-OAHLLOKOSA-N 1 0 357.292 2.433 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000818985597 675249747 /nfs/dbraw/zinc/24/97/47/675249747.db2.gz VYXZRWFXFYCCLK-GOSISDBHSA-N 1 0 366.458 2.118 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000819377963 675286582 /nfs/dbraw/zinc/28/65/82/675286582.db2.gz XULSGBITWJHJFQ-LPHOPBHVSA-N 1 0 350.503 2.138 20 10 FECDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000819697123 675309876 /nfs/dbraw/zinc/30/98/76/675309876.db2.gz PUZIKWZDDMWOIK-AWEZNQCLSA-N 1 0 350.459 2.451 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1O ZINC000824502316 675607008 /nfs/dbraw/zinc/60/70/08/675607008.db2.gz ZYKQIDSWTUWYNG-HIFRSBDPSA-N 1 0 371.275 2.068 20 10 FECDRO CC1(O)CC(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000827096589 675728707 /nfs/dbraw/zinc/72/87/07/675728707.db2.gz XTDNJHUMVWHOJX-DBQDNQAGSA-N 1 0 352.862 2.287 20 10 FECDRO CC(C)[NH2+]CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000827364009 675751037 /nfs/dbraw/zinc/75/10/37/675751037.db2.gz CQLXVRQFEGIRMY-GJZGRUSLSA-N 1 0 351.466 2.444 20 10 FECDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358643 675815291 /nfs/dbraw/zinc/81/52/91/675815291.db2.gz MZCCSTNHHVPEMQ-LRDDRELGSA-N 1 0 353.413 2.371 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]([NH3+])CC(F)F ZINC000830804315 677061790 /nfs/dbraw/zinc/06/17/90/677061790.db2.gz TXMXEGACQMCEJA-JTQLQIEISA-N 1 0 351.191 2.486 20 10 FECDRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)c2ccccc21 ZINC000634533174 677076986 /nfs/dbraw/zinc/07/69/86/677076986.db2.gz GPXVAVFKOOSHMG-LLVKDONJSA-N 1 0 360.464 2.333 20 10 FECDRO O=S1(=O)CC[C@@H](CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000760855658 680703418 /nfs/dbraw/zinc/70/34/18/680703418.db2.gz HAQHIHIGNNPZRR-NVXWUHKLSA-N 1 0 353.484 2.198 20 10 FECDRO COCCNC(=O)C1([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000840821986 680844712 /nfs/dbraw/zinc/84/47/12/680844712.db2.gz IYDIPFZKUVXVDU-SNVBAGLBSA-N 1 0 357.248 2.101 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1O ZINC000840957528 680857109 /nfs/dbraw/zinc/85/71/09/680857109.db2.gz IZUSYSDWPITOSR-SNVBAGLBSA-N 1 0 357.248 2.073 20 10 FECDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000834890748 680280570 /nfs/dbraw/zinc/28/05/70/680280570.db2.gz PHLMVHFKIDRJPU-UONOGXRCSA-N 1 0 351.878 2.448 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]CCS(=O)(=O)NCC2CCC2)cc1 ZINC000835037422 680289301 /nfs/dbraw/zinc/28/93/01/680289301.db2.gz ODRAOGFYUBXLEW-DAXSKMNVSA-N 1 0 351.516 2.075 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000756488153 680481426 /nfs/dbraw/zinc/48/14/26/680481426.db2.gz LDRHWEYFDJGGMV-CZUORRHYSA-N 1 0 352.500 2.346 20 10 FECDRO C[C@H]1C[C@@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000756512196 680482237 /nfs/dbraw/zinc/48/22/37/680482237.db2.gz XOTCTEXDMNSPLJ-SMDDNHRTSA-N 1 0 356.463 2.341 20 10 FECDRO C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000841705907 680908135 /nfs/dbraw/zinc/90/81/35/680908135.db2.gz AKSYGADYULZYSU-WBVHZDCISA-N 1 0 362.543 2.427 20 10 FECDRO C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000841705905 680908204 /nfs/dbraw/zinc/90/82/04/680908204.db2.gz AKSYGADYULZYSU-RDJZCZTQSA-N 1 0 362.543 2.427 20 10 FECDRO C[C@H](CC[NH3+])NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841779860 680911730 /nfs/dbraw/zinc/91/17/30/680911730.db2.gz APXYQVAETVJZQF-GFCCVEGCSA-N 1 0 356.417 2.293 20 10 FECDRO COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846012 680914665 /nfs/dbraw/zinc/91/46/65/680914665.db2.gz IUDATDIGSAEXOS-MRXNPFEDSA-N 1 0 362.861 2.427 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841937647 680917986 /nfs/dbraw/zinc/91/79/86/680917986.db2.gz AXDQULAUQYUDED-ZDUSSCGKSA-N 1 0 356.264 2.438 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841949134 680918584 /nfs/dbraw/zinc/91/85/84/680918584.db2.gz ZDFQJGQGQYJMPI-ZDUSSCGKSA-N 1 0 356.264 2.424 20 10 FECDRO COc1cc(Br)cc(C[N@H+](CC(N)=O)C2CCCC2)c1O ZINC000768258157 680942153 /nfs/dbraw/zinc/94/21/53/680942153.db2.gz RDEUUYNOCVEATD-UHFFFAOYSA-N 1 0 357.248 2.393 20 10 FECDRO Cn1cc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c(C(F)(F)F)n1 ZINC000768464038 680947613 /nfs/dbraw/zinc/94/76/13/680947613.db2.gz ZEVOALRDBIODSB-CYBMUJFWSA-N 1 0 357.332 2.202 20 10 FECDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)n1 ZINC000842784965 680966330 /nfs/dbraw/zinc/96/63/30/680966330.db2.gz IYKQLLKJGPAEBO-AWEZNQCLSA-N 1 0 368.890 2.088 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)Cc2ccc(F)cc2F)cc1 ZINC000842785834 680966509 /nfs/dbraw/zinc/96/65/09/680966509.db2.gz RDWZJZREKSRARK-KRWDZBQOSA-N 1 0 369.437 2.150 20 10 FECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1O ZINC000843058504 680985085 /nfs/dbraw/zinc/98/50/85/680985085.db2.gz UTJZIDYWUIJIMZ-PBHICJAKSA-N 1 0 365.905 2.434 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843387172 681000850 /nfs/dbraw/zinc/00/08/50/681000850.db2.gz FNPOFUUXCIKENA-CQSZACIVSA-N 1 0 352.862 2.436 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000843489655 681006670 /nfs/dbraw/zinc/00/66/70/681006670.db2.gz RPDWTIUMPZTVIK-AWEZNQCLSA-N 1 0 354.834 2.079 20 10 FECDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844864470 681088671 /nfs/dbraw/zinc/08/86/71/681088671.db2.gz ZNKNQKXKTSSQTG-HNNXBMFYSA-N 1 0 355.866 2.202 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000844999145 681097384 /nfs/dbraw/zinc/09/73/84/681097384.db2.gz OZFJKNXVZULUAC-ZDUSSCGKSA-N 1 0 367.877 2.346 20 10 FECDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846213798 681202026 /nfs/dbraw/zinc/20/20/26/681202026.db2.gz KRLOWHUOPDXKRP-HNAYVOBHSA-N 1 0 352.450 2.245 20 10 FECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1(C)C ZINC000776158756 681368774 /nfs/dbraw/zinc/36/87/74/681368774.db2.gz VMLXGHSGCZLWCM-ZWKOTPCHSA-N 1 0 366.527 2.215 20 10 FECDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000777221389 681473706 /nfs/dbraw/zinc/47/37/06/681473706.db2.gz GUEYDPBIAYOPLS-LBPRGKRZSA-N 1 0 352.431 2.366 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)c1O ZINC000848525270 681571426 /nfs/dbraw/zinc/57/14/26/681571426.db2.gz LCASKVFTUQNQHX-UWVGGRQHSA-N 1 0 355.236 2.494 20 10 FECDRO CCc1cccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000848910853 681641417 /nfs/dbraw/zinc/64/14/17/681641417.db2.gz AGXFNDWUCLAIII-CQSZACIVSA-N 1 0 352.500 2.248 20 10 FECDRO COc1cc(C[NH2+]CCC(=O)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850045360 681844423 /nfs/dbraw/zinc/84/44/23/681844423.db2.gz FCDZEMORSQDCFN-UHFFFAOYSA-N 1 0 350.459 2.037 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850365525 681892598 /nfs/dbraw/zinc/89/25/98/681892598.db2.gz JPCMTMHVDGGKOA-ONEGZZNKSA-N 1 0 350.406 2.333 20 10 FECDRO COC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC000783241715 682127911 /nfs/dbraw/zinc/12/79/11/682127911.db2.gz WILQKNFHSXDNGG-IBGZPJMESA-N 1 0 366.527 2.216 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]([NH3+])COC(C)C ZINC000852812300 682345793 /nfs/dbraw/zinc/34/57/93/682345793.db2.gz TVZMATSLAWPTCZ-ZDUSSCGKSA-N 1 0 359.264 2.256 20 10 FECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1F ZINC000858106724 682934778 /nfs/dbraw/zinc/93/47/78/682934778.db2.gz PSOFLTBTOFIJEY-MRXNPFEDSA-N 1 0 350.413 2.387 20 10 FECDRO C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O ZINC000927147981 683212278 /nfs/dbraw/zinc/21/22/78/683212278.db2.gz VNAUJDXMJDSLMW-ONGXEEELSA-N 1 0 351.248 2.491 20 10 FECDRO CNC(=O)CCOC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862253042 683559531 /nfs/dbraw/zinc/55/95/31/683559531.db2.gz ZTPYSHIEDZAZKU-UHFFFAOYSA-N 1 0 371.275 2.272 20 10 FECDRO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000865766846 684025472 /nfs/dbraw/zinc/02/54/72/684025472.db2.gz KNVRUYSTYUSADJ-CTYIDZIISA-N 1 0 361.419 2.215 20 10 FECDRO CCOc1ccc(C[NH2+]CCc2ccc(S(=O)(=O)NC)cc2)c(O)c1 ZINC000865818508 684033517 /nfs/dbraw/zinc/03/35/17/684033517.db2.gz AMODAHWQGSLJHR-UHFFFAOYSA-N 1 0 364.467 2.031 20 10 FECDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(F)(F)F ZINC000873226765 685099953 /nfs/dbraw/zinc/09/99/53/685099953.db2.gz ATBSAJOEXYBTIE-UONOGXRCSA-N 1 0 361.383 2.231 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(OC(F)F)nc2)cc1 ZINC000911668266 685241348 /nfs/dbraw/zinc/24/13/48/685241348.db2.gz XJJJTGHGBOHZND-AWEZNQCLSA-N 1 0 350.369 2.179 20 10 FECDRO Cc1cccc(O)c1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877029320 686314209 /nfs/dbraw/zinc/31/42/09/686314209.db2.gz ZLOOIKHISIPJOW-UHFFFAOYSA-N 1 0 366.405 2.352 20 10 FECDRO O=[S@@](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC(F)(F)F ZINC000877622442 686424279 /nfs/dbraw/zinc/42/42/79/686424279.db2.gz NMRCZAWSFMICAL-DEOSSOPVSA-N 1 0 364.433 2.048 20 10 FECDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000877727027 686446498 /nfs/dbraw/zinc/44/64/98/686446498.db2.gz PJPMSSDKEAUOME-QMTHXVAHSA-N 1 0 358.232 2.131 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1O ZINC000880208627 687015605 /nfs/dbraw/zinc/01/56/05/687015605.db2.gz UCNFBIXJKIABTH-QGZVFWFLSA-N 1 0 350.434 2.467 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC3(F)F)cc2)CC1 ZINC000883697968 687704482 /nfs/dbraw/zinc/70/44/82/687704482.db2.gz TUNDQENUJLWGQB-MRXNPFEDSA-N 1 0 352.429 2.425 20 10 FECDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000885983285 688191973 /nfs/dbraw/zinc/19/19/73/688191973.db2.gz BXWRHOLPNOFLJU-PKOBYXMFSA-N 1 0 366.527 2.359 20 10 FECDRO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cc2c(cc1O)CCCC2 ZINC000886736603 688298463 /nfs/dbraw/zinc/29/84/63/688298463.db2.gz FSJJJEOCQURWMQ-ZDUSSCGKSA-N 1 0 352.500 2.346 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(F)(F)CC3)cc2)CC1 ZINC000889658657 688803233 /nfs/dbraw/zinc/80/32/33/688803233.db2.gz JEVFIBJJVQUVPY-UHFFFAOYSA-N 1 0 352.429 2.379 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(N)nc(Cl)c2)[NH+](C)C)cc1 ZINC000891253389 689040382 /nfs/dbraw/zinc/04/03/82/689040382.db2.gz SBGHLCMPYPSZOL-HNNXBMFYSA-N 1 0 361.877 2.416 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891368236 689054886 /nfs/dbraw/zinc/05/48/86/689054886.db2.gz ASXILBUSEGDANL-HKUYNNGSSA-N 1 0 360.527 2.324 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CC(S(C)(=O)=O)C3)cc2F)C[C@H](C)O1 ZINC000892621506 689219726 /nfs/dbraw/zinc/21/97/26/689219726.db2.gz JQRVFOSIGBLAIX-YPXDRJKUSA-N 1 0 370.490 2.105 20 10 FECDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000893236616 689318541 /nfs/dbraw/zinc/31/85/41/689318541.db2.gz ICRVBPCNTKJFJD-CQSZACIVSA-N 1 0 368.909 2.118 20 10 FECDRO COc1ccc(C[NH2+]Cc2cnc(Br)cn2)c(O)c1OC ZINC000895643641 689748761 /nfs/dbraw/zinc/74/87/61/689748761.db2.gz PLLVHZDPZJEAFQ-UHFFFAOYSA-N 1 0 354.204 2.252 20 10 FECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000895688816 689755546 /nfs/dbraw/zinc/75/55/46/689755546.db2.gz ZVQXYRBKDGONGJ-MRXNPFEDSA-N 1 0 371.884 2.071 20 10 FECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)CCC1(F)F ZINC000895765937 689768445 /nfs/dbraw/zinc/76/84/45/689768445.db2.gz RUDHAOKYZJWGDI-LBPRGKRZSA-N 1 0 359.369 2.430 20 10 FECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c(O)c1OC ZINC000896054441 689813036 /nfs/dbraw/zinc/81/30/36/689813036.db2.gz JQJNHSWONMKBCA-PITQQHRWSA-N 1 0 351.443 2.472 20 10 FECDRO CS[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1[NH+](C)C ZINC000897238005 689992941 /nfs/dbraw/zinc/99/29/41/689992941.db2.gz SZNFMXOUCNJAOX-BONVTDFDSA-N 1 0 352.481 2.430 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(N3CCCOC3=O)CC2)cc1OC ZINC000897591961 690044951 /nfs/dbraw/zinc/04/49/51/690044951.db2.gz IBNVFMZXZIXMJE-UHFFFAOYSA-N 1 0 350.415 2.216 20 10 FECDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1O ZINC000898372696 690169692 /nfs/dbraw/zinc/16/96/92/690169692.db2.gz WPDIULDEWKTDNI-LBPRGKRZSA-N 1 0 364.833 2.227 20 10 FECDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCS(=O)(=O)CC1 ZINC000898449489 690185830 /nfs/dbraw/zinc/18/58/30/690185830.db2.gz GQWBOJWXAGCZOQ-DNVCBOLYSA-N 1 0 367.559 2.158 20 10 FECDRO CCC[C@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899095969 690302750 /nfs/dbraw/zinc/30/27/50/690302750.db2.gz NYZDMFLAHDTLQO-ROUUACIJSA-N 1 0 350.507 2.206 20 10 FECDRO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc2ccccc2c1O ZINC000903226842 690869994 /nfs/dbraw/zinc/86/99/94/690869994.db2.gz POFNLBNCRLTYKO-GFCCVEGCSA-N 1 0 370.496 2.253 20 10 FECDRO CN(C)c1ccc([C@H](CNS(=O)(=O)CCC(F)(F)F)[NH+](C)C)cc1 ZINC000908460272 691683674 /nfs/dbraw/zinc/68/36/74/691683674.db2.gz RCGQGSSYUOWYKH-AWEZNQCLSA-N 1 0 367.437 2.227 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]CC2(OCCO)CCOCC2)cc1F ZINC000800310484 674040972 /nfs/dbraw/zinc/04/09/72/674040972.db2.gz BPCCPDZADAWFFN-UHFFFAOYSA-N 1 0 354.466 2.320 20 10 FECDRO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571781 539620211 /nfs/dbraw/zinc/62/02/11/539620211.db2.gz DTRMTSKXSCXMHS-CYBMUJFWSA-N 1 0 359.392 2.022 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccccn3)CC2)cc1 ZINC000028064681 539825409 /nfs/dbraw/zinc/82/54/09/539825409.db2.gz HPTPMNWVCYHBAP-UHFFFAOYSA-N 1 0 354.454 2.032 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C(F)F)cc2F)CC1 ZINC000800884751 674084794 /nfs/dbraw/zinc/08/47/94/674084794.db2.gz XHEBVCAUYHNXRF-KBPBESRZSA-N 1 0 355.404 2.485 20 10 FECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000073021410 541909406 /nfs/dbraw/zinc/90/94/06/541909406.db2.gz BOQWRDMJHLYTGE-FQEVSTJZSA-N 1 0 356.466 2.395 20 10 FECDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000073987825 542023132 /nfs/dbraw/zinc/02/31/32/542023132.db2.gz SOENWGLHLCPQPT-NNJOMNARSA-N 1 0 355.482 2.232 20 10 FECDRO Oc1cc(Br)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827698649 675773416 /nfs/dbraw/zinc/77/34/16/675773416.db2.gz ADTMYXPUBVOMRF-HNNXBMFYSA-N 1 0 355.276 2.186 20 10 FECDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000328624558 132371573 /nfs/dbraw/zinc/37/15/73/132371573.db2.gz CNBLZYYMUVPCTP-VQTJNVASSA-N 1 0 356.470 2.267 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089682342 542769002 /nfs/dbraw/zinc/76/90/02/542769002.db2.gz ZZDLUKFFDHLQLP-CRAIPNDOSA-N 1 0 363.477 2.176 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089682347 542769422 /nfs/dbraw/zinc/76/94/22/542769422.db2.gz ZZDLUKFFDHLQLP-YJBOKZPZSA-N 1 0 363.477 2.176 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)c1 ZINC000093321146 542925856 /nfs/dbraw/zinc/92/58/56/542925856.db2.gz SFVUNIJYWISLLZ-UHFFFAOYSA-N 1 0 356.488 2.037 20 10 FECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093613644 542935882 /nfs/dbraw/zinc/93/58/82/542935882.db2.gz LYNHQVCQFKCGGR-UXHICEINSA-N 1 0 360.498 2.275 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)CCOC)cc2F)CC1 ZINC000106553411 543237533 /nfs/dbraw/zinc/23/75/33/543237533.db2.gz GUYJYVPSVBTXHP-OAHLLOKOSA-N 1 0 366.481 2.192 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cn(C)nc3C)CC2)cc1 ZINC000159635712 545969573 /nfs/dbraw/zinc/96/95/73/545969573.db2.gz FHJYNIILUBOJPX-UHFFFAOYSA-N 1 0 357.502 2.039 20 10 FECDRO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)n1-c1ccccn1 ZINC000160616815 546056898 /nfs/dbraw/zinc/05/68/98/546056898.db2.gz PKUVWIAZAUYSMI-KRWDZBQOSA-N 1 0 356.470 2.066 20 10 FECDRO C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000165184958 546152693 /nfs/dbraw/zinc/15/26/93/546152693.db2.gz HUUMOEVRHNTBLA-JXFKEZNVSA-N 1 0 353.466 2.476 20 10 FECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(F)cc(C(C)=O)c1O)CC2 ZINC000175715584 546338081 /nfs/dbraw/zinc/33/80/81/546338081.db2.gz WGMBYJZBLCKTCV-DLBZAZTESA-N 1 0 351.418 2.486 20 10 FECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(F)cc(C(C)=O)c1O)CC2 ZINC000175715649 546339082 /nfs/dbraw/zinc/33/90/82/546339082.db2.gz WGMBYJZBLCKTCV-SJORKVTESA-N 1 0 351.418 2.486 20 10 FECDRO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(N2CCOCC2)cc1 ZINC000178047848 546730820 /nfs/dbraw/zinc/73/08/20/546730820.db2.gz KEOZRGNKVAZPME-INIZCTEOSA-N 1 0 364.453 2.350 20 10 FECDRO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000178592629 546816602 /nfs/dbraw/zinc/81/66/02/546816602.db2.gz NUQDKMAGQVEOHL-AWEZNQCLSA-N 1 0 351.422 2.155 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000182381880 547482542 /nfs/dbraw/zinc/48/25/42/547482542.db2.gz HIQLYWDJSPZBBN-INIZCTEOSA-N 1 0 369.465 2.400 20 10 FECDRO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(OCc2ccccc2)cc1O ZINC000182954719 547578998 /nfs/dbraw/zinc/57/89/98/547578998.db2.gz NZUZGOHMHIYLMV-UHFFFAOYSA-N 1 0 370.449 2.262 20 10 FECDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000184658274 547861628 /nfs/dbraw/zinc/86/16/28/547861628.db2.gz PRCBLEKMFRGFPN-OAHLLOKOSA-N 1 0 363.477 2.447 20 10 FECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c(O)c1 ZINC000186158991 548092142 /nfs/dbraw/zinc/09/21/42/548092142.db2.gz RXMIMLQDRVOZQU-STQMWFEESA-N 1 0 355.481 2.248 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)[C@@H](C)OC)cc2F)CC1 ZINC000188891560 548289801 /nfs/dbraw/zinc/28/98/01/548289801.db2.gz ULJNZUHTEFONKX-LSDHHAIUSA-N 1 0 366.481 2.190 20 10 FECDRO COc1ccc(O)c(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000190313819 548322473 /nfs/dbraw/zinc/32/24/73/548322473.db2.gz NWXCBMXXGYRVAS-OAQYLSRUSA-N 1 0 356.466 2.470 20 10 FECDRO Cc1ccc([C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)N2CCOCC2)o1 ZINC000237973719 548868606 /nfs/dbraw/zinc/86/86/06/548868606.db2.gz VXZPUWMPVRSLGZ-OAHLLOKOSA-N 1 0 360.410 2.185 20 10 FECDRO [NH3+][C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000238018770 548872384 /nfs/dbraw/zinc/87/23/84/548872384.db2.gz SQQVRHNGKTZZGV-ZBWUASRJSA-N 1 0 351.450 2.353 20 10 FECDRO Nc1ccc(CC(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000262668099 549837099 /nfs/dbraw/zinc/83/70/99/549837099.db2.gz LNCGQDWPMJXEBB-NRFANRHFSA-N 1 0 367.493 2.373 20 10 FECDRO Cc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000263712470 549923971 /nfs/dbraw/zinc/92/39/71/549923971.db2.gz DMCADPSEKVHWSB-KRWDZBQOSA-N 1 0 354.498 2.460 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264657188 549999671 /nfs/dbraw/zinc/99/96/71/549999671.db2.gz SCJFTGAOJQRKLJ-BYVAAYKLSA-N 1 0 355.482 2.137 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000266797303 550024134 /nfs/dbraw/zinc/02/41/34/550024134.db2.gz YJBNUCCPTXUTST-UHFFFAOYSA-N 1 0 355.486 2.314 20 10 FECDRO CC[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[NH+](C)C ZINC000268865094 550124936 /nfs/dbraw/zinc/12/49/36/550124936.db2.gz ZWPYGKGRVCTTRC-GRDNDAEWSA-N 1 0 351.466 2.396 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000269440367 550195964 /nfs/dbraw/zinc/19/59/64/550195964.db2.gz FKTVONJEEBGIBL-QGZVFWFLSA-N 1 0 353.532 2.294 20 10 FECDRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000269455152 550197970 /nfs/dbraw/zinc/19/79/70/550197970.db2.gz IEKKHJIYPKGSBA-GOSISDBHSA-N 1 0 365.543 2.438 20 10 FECDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367780 550495816 /nfs/dbraw/zinc/49/58/16/550495816.db2.gz BWJJOWZITNMJBJ-SMDDNHRTSA-N 1 0 370.291 2.145 20 10 FECDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1c(F)ccc(O)c1O ZINC000276539498 550578933 /nfs/dbraw/zinc/57/89/33/550578933.db2.gz ISWMKDCAURJXMQ-OAHLLOKOSA-N 1 0 374.412 2.124 20 10 FECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276698493 550586544 /nfs/dbraw/zinc/58/65/44/550586544.db2.gz VLQHIVQKWWYJAQ-UHFFFAOYSA-N 1 0 351.450 2.480 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277394774 550665147 /nfs/dbraw/zinc/66/51/47/550665147.db2.gz JKWNNRWJRPWZGG-FQEVSTJZSA-N 1 0 372.513 2.339 20 10 FECDRO COc1c(O)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278302433 550770957 /nfs/dbraw/zinc/77/09/57/550770957.db2.gz WAMPXWGLMIZDIL-LBPRGKRZSA-N 1 0 352.387 2.473 20 10 FECDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000278766305 550819819 /nfs/dbraw/zinc/81/98/19/550819819.db2.gz UFSQSWCRMVYCLC-SWLSCSKDSA-N 1 0 374.275 2.001 20 10 FECDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C)cc1O ZINC000280278013 550976183 /nfs/dbraw/zinc/97/61/83/550976183.db2.gz YIESVJRBWNBQCP-KRWDZBQOSA-N 1 0 355.438 2.157 20 10 FECDRO COCCCn1nccc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000282628571 551253398 /nfs/dbraw/zinc/25/33/98/551253398.db2.gz KBENCXJIGMENHI-UHFFFAOYSA-N 1 0 372.513 2.418 20 10 FECDRO COCCn1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000282836025 551275982 /nfs/dbraw/zinc/27/59/82/551275982.db2.gz SNCJMIOXKOIOQQ-HNNXBMFYSA-N 1 0 362.449 2.356 20 10 FECDRO CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c(O)c1 ZINC000284592406 551584649 /nfs/dbraw/zinc/58/46/49/551584649.db2.gz QHCOYVBNJRUJJY-OXQOHEQNSA-N 1 0 372.469 2.366 20 10 FECDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2O)CCC(=O)N1C1CC1 ZINC000284816951 551641117 /nfs/dbraw/zinc/64/11/17/551641117.db2.gz LMDIJCIZVKKLMD-DNVCBOLYSA-N 1 0 358.417 2.249 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cncs3)CC2)cc1 ZINC000288678736 552196553 /nfs/dbraw/zinc/19/65/53/552196553.db2.gz WROHMVHNJBYBPH-UHFFFAOYSA-N 1 0 360.483 2.094 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000288960807 552243944 /nfs/dbraw/zinc/24/39/44/552243944.db2.gz HEXNYJWKZFYQIG-MAUKXSAKSA-N 1 0 373.497 2.120 20 10 FECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000289570213 552342384 /nfs/dbraw/zinc/34/23/84/552342384.db2.gz JLXYLMKHJGRLSH-SUMWQHHRSA-N 1 0 351.834 2.307 20 10 FECDRO CCN(CC)c1ccc(CN(CCOC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000290620453 552508003 /nfs/dbraw/zinc/50/80/03/552508003.db2.gz XEBHMWRCPHVORN-GOSISDBHSA-N 1 0 354.516 2.168 20 10 FECDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000291294700 552611484 /nfs/dbraw/zinc/61/14/84/552611484.db2.gz SWOXFFDAPIEGLJ-QGZVFWFLSA-N 1 0 362.518 2.393 20 10 FECDRO C[N@@H+]1CC[C@]2(CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C2)C1 ZINC000292327380 552716233 /nfs/dbraw/zinc/71/62/33/552716233.db2.gz UAIPLXDREGGKFC-XBGMYJNYSA-N 1 0 355.482 2.091 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(F)c[nH]3)CC2)cc1 ZINC000292852885 552765306 /nfs/dbraw/zinc/76/53/06/552765306.db2.gz SHZTYVUVOKQWOK-UHFFFAOYSA-N 1 0 360.433 2.105 20 10 FECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000363711242 555168867 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2.271 20 10 FECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCN(c3nccc(OC)n3)CC2)c1 ZINC000370063724 556771302 /nfs/dbraw/zinc/77/13/02/556771302.db2.gz SBDWAJQJTNVORV-AWEZNQCLSA-N 1 0 358.442 2.473 20 10 FECDRO CCCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c(O)c1 ZINC000370636270 556926619 /nfs/dbraw/zinc/92/66/19/556926619.db2.gz SIPNRRNQAIHQII-MGPUTAFESA-N 1 0 372.469 2.224 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000370865208 556995239 /nfs/dbraw/zinc/99/52/39/556995239.db2.gz OOQBBTNCZHMPCQ-DFQSSKMNSA-N 1 0 359.514 2.456 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1C ZINC000371946918 557335547 /nfs/dbraw/zinc/33/55/47/557335547.db2.gz JNKNEVBXTWDEJF-GOSISDBHSA-N 1 0 354.454 2.388 20 10 FECDRO C[C@]1([C@@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)NC(=O)NC1=O ZINC000372410655 557464062 /nfs/dbraw/zinc/46/40/62/557464062.db2.gz VBAQUNLUSYOMIL-JLTOFOAXSA-N 1 0 353.422 2.356 20 10 FECDRO O[C@@H](c1ncc[nH]1)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000373347078 557677059 /nfs/dbraw/zinc/67/70/59/557677059.db2.gz VXPOEBUZHBEBEX-LJQANCHMSA-N 1 0 356.470 2.192 20 10 FECDRO COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(Br)ccc1O ZINC000374896069 557947625 /nfs/dbraw/zinc/94/76/25/557947625.db2.gz KMPNVFULJMETIK-OLZOCXBDSA-N 1 0 358.232 2.307 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1OC ZINC000375407040 558022192 /nfs/dbraw/zinc/02/21/92/558022192.db2.gz VUVZHCALPPMZOJ-SPYBWZPUSA-N 1 0 351.443 2.161 20 10 FECDRO COCCn1cc2c(n1)[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)CCC2 ZINC000376614329 558198081 /nfs/dbraw/zinc/19/80/81/558198081.db2.gz GGHMOYIGVAORLW-OAHLLOKOSA-N 1 0 361.442 2.420 20 10 FECDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513574 558354872 /nfs/dbraw/zinc/35/48/72/558354872.db2.gz UQBNRBCXFPCXRV-DLBZAZTESA-N 1 0 354.454 2.082 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000378440244 558558261 /nfs/dbraw/zinc/55/82/61/558558261.db2.gz AQOMWJUTFFFGQW-JKSUJKDBSA-N 1 0 361.442 2.231 20 10 FECDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471866631 561013337 /nfs/dbraw/zinc/01/33/37/561013337.db2.gz VXZYZMIBTRKYAN-MRXNPFEDSA-N 1 0 358.486 2.397 20 10 FECDRO O=C(N[C@H]1CC[NH2+]C12CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000529360867 562371027 /nfs/dbraw/zinc/37/10/27/562371027.db2.gz UKZDQCPSVBLZSL-WMZOPIPTSA-N 1 0 359.470 2.367 20 10 FECDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cccc(OC)c2O)CC1 ZINC000809784287 674509919 /nfs/dbraw/zinc/50/99/19/674509919.db2.gz FCQOJGOAMMZRML-AWEZNQCLSA-N 1 0 370.515 2.283 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)CCNC(=O)C(C)C)c1O ZINC000092103754 670734767 /nfs/dbraw/zinc/73/47/67/670734767.db2.gz SYOQOQKEZSTGPR-UHFFFAOYSA-N 1 0 359.264 2.367 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1O ZINC000092100483 670734845 /nfs/dbraw/zinc/73/48/45/670734845.db2.gz XEUXKRWQPBPFJE-GFCCVEGCSA-N 1 0 371.275 2.464 20 10 FECDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000092217801 670736865 /nfs/dbraw/zinc/73/68/65/670736865.db2.gz SLYKMIGBMHGYSA-HNNXBMFYSA-N 1 0 355.276 2.451 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000134065234 672118841 /nfs/dbraw/zinc/11/88/41/672118841.db2.gz NGHUKCUSPGVLET-SUMWQHHRSA-N 1 0 351.878 2.496 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000289226637 672988707 /nfs/dbraw/zinc/98/87/07/672988707.db2.gz CVCXZXNCLHKXGH-WOSRLPQWSA-N 1 0 356.488 2.159 20 10 FECDRO COc1cccc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000310650994 673025246 /nfs/dbraw/zinc/02/52/46/673025246.db2.gz ULRUCSSXOBMQTP-CQSZACIVSA-N 1 0 352.431 2.126 20 10 FECDRO CCOc1ccc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c(O)c1 ZINC000725849875 673094864 /nfs/dbraw/zinc/09/48/64/673094864.db2.gz ZBSHNZNNOWNAEK-OAHLLOKOSA-N 1 0 359.348 2.064 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)C2)cc1 ZINC000818343013 675215683 /nfs/dbraw/zinc/21/56/83/675215683.db2.gz XXDXGTKJZPBQMA-AYOQOUSVSA-N 1 0 366.527 2.467 20 10 FECDRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000818637907 675230394 /nfs/dbraw/zinc/23/03/94/675230394.db2.gz MCDZOCYSBONNDR-UHFFFAOYSA-N 1 0 364.496 2.147 20 10 FECDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000819824453 675316398 /nfs/dbraw/zinc/31/63/98/675316398.db2.gz KSYJYXXHPLTZCG-HZPDHXFCSA-N 1 0 359.495 2.437 20 10 FECDRO CC(C)(C)[NH2+]CCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000822358992 675479854 /nfs/dbraw/zinc/47/98/54/675479854.db2.gz APVJPYUINYOPKN-UHFFFAOYSA-N 1 0 355.429 2.196 20 10 FECDRO COc1cc(N2CC[NH+](C[C@@H](OC)C3CC3)CC2)cc(OC)c1OC ZINC000822852477 675511438 /nfs/dbraw/zinc/51/14/38/675511438.db2.gz UAYODAGXZQIXJD-GOSISDBHSA-N 1 0 350.459 2.259 20 10 FECDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824601758 675613064 /nfs/dbraw/zinc/61/30/64/675613064.db2.gz NFNRAHLGRUXGOK-ZDUSSCGKSA-N 1 0 354.248 2.144 20 10 FECDRO COC(=O)[C@]12C[N@H+](Cc3ccc(Br)cc3O)C[C@H]1COCC2 ZINC000825748753 675667138 /nfs/dbraw/zinc/66/71/38/675667138.db2.gz IGXKMPJTRDLLTO-BLLLJJGKSA-N 1 0 370.243 2.166 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cc(F)ccc3O)cc2)CC1 ZINC000826936627 675716932 /nfs/dbraw/zinc/71/69/32/675716932.db2.gz AYLUJNGYSQQFQM-UHFFFAOYSA-N 1 0 364.442 2.056 20 10 FECDRO CSCC[C@H](O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827309500 675746947 /nfs/dbraw/zinc/74/69/47/675746947.db2.gz FOLIPQIFLFRUII-HOCLYGCPSA-N 1 0 372.918 2.240 20 10 FECDRO CSCC[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359315 675815349 /nfs/dbraw/zinc/81/53/49/675815349.db2.gz RLKUTLQFEQTHSH-OAHLLOKOSA-N 1 0 373.469 2.453 20 10 FECDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358645 675815364 /nfs/dbraw/zinc/81/53/64/675815364.db2.gz MZCCSTNHHVPEMQ-MLGOLLRUSA-N 1 0 353.413 2.371 20 10 FECDRO COc1ccc(N2CCC[N@H+](CC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000760821369 680702246 /nfs/dbraw/zinc/70/22/46/680702246.db2.gz ZQJWZJXMCFTMGC-MRXNPFEDSA-N 1 0 352.500 2.032 20 10 FECDRO CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761979795 680736680 /nfs/dbraw/zinc/73/66/80/680736680.db2.gz IKZDWQYYUTWCIE-HNNXBMFYSA-N 1 0 367.877 2.041 20 10 FECDRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840141728 680801718 /nfs/dbraw/zinc/80/17/18/680801718.db2.gz XEQFPVULUIQBPL-XHDPSFHLSA-N 1 0 360.376 2.134 20 10 FECDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840929692 680854352 /nfs/dbraw/zinc/85/43/52/680854352.db2.gz FBNSCQFDRFCXLI-UHFFFAOYSA-N 1 0 353.532 2.355 20 10 FECDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765790613 680855422 /nfs/dbraw/zinc/85/54/22/680855422.db2.gz VVCWKMNLRCPMML-HZPDHXFCSA-N 1 0 351.466 2.034 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(Cl)nc(N(C)C)c2)cc1 ZINC000832274066 680119354 /nfs/dbraw/zinc/11/93/54/680119354.db2.gz RLQCWIGTQWRCJE-OAHLLOKOSA-N 1 0 361.877 2.297 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=S)NCCSC)cc2F)CC1 ZINC000752753680 680258478 /nfs/dbraw/zinc/25/84/78/680258478.db2.gz IPTHSONGWWGJEB-UHFFFAOYSA-N 1 0 370.563 2.295 20 10 FECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000835051704 680291341 /nfs/dbraw/zinc/29/13/41/680291341.db2.gz GWGXDDYVBLVWJZ-LZCIBIBXSA-N 1 0 365.543 2.369 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1 ZINC000756445541 680478995 /nfs/dbraw/zinc/47/89/95/680478995.db2.gz OMZJZXLKLCQXJB-CQSZACIVSA-N 1 0 364.467 2.171 20 10 FECDRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1O ZINC000756443489 680479206 /nfs/dbraw/zinc/47/92/06/680479206.db2.gz HWPWKSPZVSUCLT-ZDUSSCGKSA-N 1 0 352.431 2.302 20 10 FECDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3cccs3)CC2)cc1 ZINC000758186917 680560516 /nfs/dbraw/zinc/56/05/16/680560516.db2.gz RHNWVDMJBYHQJS-QGZVFWFLSA-N 1 0 361.511 2.029 20 10 FECDRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000766143351 680868396 /nfs/dbraw/zinc/86/83/96/680868396.db2.gz BQHJVJNGSPGBIQ-MRXNPFEDSA-N 1 0 366.527 2.267 20 10 FECDRO COc1nccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)n1 ZINC000841494952 680887563 /nfs/dbraw/zinc/88/75/63/680887563.db2.gz GFSOQHHYCSPQHL-WQLSENKSSA-N 1 0 366.512 2.274 20 10 FECDRO C[C@H]([NH3+])[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841783113 680912180 /nfs/dbraw/zinc/91/21/80/680912180.db2.gz WGDMYXAZYGCNTP-RYUDHWBXSA-N 1 0 356.417 2.292 20 10 FECDRO C[C@](O)(C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1)C(F)(F)F ZINC000767513902 680914808 /nfs/dbraw/zinc/91/48/08/680914808.db2.gz MQYSZFHQLFYIMM-HOCLYGCPSA-N 1 0 361.360 2.343 20 10 FECDRO Cc1cc(Br)cc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1O ZINC000841891830 680916738 /nfs/dbraw/zinc/91/67/38/680916738.db2.gz PSFPVVYRNONGTB-STQMWFEESA-N 1 0 357.292 2.350 20 10 FECDRO C[C@@H](NC(=O)NCc1cc(Br)ccc1O)[C@H]1CCC[NH2+]C1 ZINC000841926368 680917635 /nfs/dbraw/zinc/91/76/35/680917635.db2.gz GPUXBFROPOLOAF-MNOVXSKESA-N 1 0 356.264 2.342 20 10 FECDRO Cc1cc(F)c(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000842784447 680966111 /nfs/dbraw/zinc/96/61/11/680966111.db2.gz JUJBOLTZAKQILA-INIZCTEOSA-N 1 0 369.437 2.318 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnc1Cl ZINC000842783719 680966134 /nfs/dbraw/zinc/96/61/34/680966134.db2.gz BRVYEGAAJXKMEV-OAHLLOKOSA-N 1 0 368.890 2.088 20 10 FECDRO Cc1ccc(CS(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1 ZINC000842786103 680966473 /nfs/dbraw/zinc/96/64/73/680966473.db2.gz UEJZFKBSJFNKFH-GOSISDBHSA-N 1 0 365.474 2.320 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000842786445 680966493 /nfs/dbraw/zinc/96/64/93/680966493.db2.gz QTXQQLXFIQNLQA-QGZVFWFLSA-N 1 0 351.447 2.011 20 10 FECDRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773064231 681123619 /nfs/dbraw/zinc/12/36/19/681123619.db2.gz FOIKHQNDOJIGNT-AWEZNQCLSA-N 1 0 370.490 2.138 20 10 FECDRO Fc1cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)ccc1N1CCOCC1 ZINC000773417494 681141026 /nfs/dbraw/zinc/14/10/26/681141026.db2.gz RDYRHLDYYSYVJH-MRXNPFEDSA-N 1 0 350.434 2.438 20 10 FECDRO O=C(NCCC1CC[NH2+]CC1)NCc1cccc(Br)c1O ZINC000846211217 681201570 /nfs/dbraw/zinc/20/15/70/681201570.db2.gz BYSSSKACCLUDNN-UHFFFAOYSA-N 1 0 356.264 2.344 20 10 FECDRO COc1cc(O)c(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1OC ZINC000776250032 681376764 /nfs/dbraw/zinc/37/67/64/681376764.db2.gz CXCFLFGHHYXHFA-UHFFFAOYSA-N 1 0 363.435 2.029 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000848518452 681570424 /nfs/dbraw/zinc/57/04/24/681570424.db2.gz LSWBBBGZPQRWHU-BXKDBHETSA-N 1 0 357.248 2.483 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2ccnn2)c1O ZINC000848545536 681575863 /nfs/dbraw/zinc/57/58/63/681575863.db2.gz YINOXGXNMIFVTG-SNVBAGLBSA-N 1 0 355.236 2.496 20 10 FECDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779031543 681673706 /nfs/dbraw/zinc/67/37/06/681673706.db2.gz JNBCIZVRBNDMPB-JTQLQIEISA-N 1 0 365.293 2.053 20 10 FECDRO COc1cc(N2CC[NH+]([C@H]3CC[C@@H](OC)C3)CC2)cc(OC)c1OC ZINC000851935756 682188073 /nfs/dbraw/zinc/18/80/73/682188073.db2.gz GVNHNXUOICIFSD-GOEBONIOSA-N 1 0 350.459 2.402 20 10 FECDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000852628257 682310712 /nfs/dbraw/zinc/31/07/12/682310712.db2.gz BXNRBEWGNAYKRL-GFCCVEGCSA-N 1 0 356.264 2.438 20 10 FECDRO CS(=O)(=O)[C@@H]1CN(Cc2c(O)ccc3ccncc32)C[C@H]1C(F)(F)F ZINC000853530409 682428401 /nfs/dbraw/zinc/42/84/01/682428401.db2.gz JZFVRHCHOHOKHQ-UKRRQHHQSA-N 1 0 374.384 2.348 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)c2ccnn2C)c1O ZINC000858435616 682968164 /nfs/dbraw/zinc/96/81/64/682968164.db2.gz MWFZQQWKTHEWAV-SKDRFNHKSA-N 1 0 370.247 2.281 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)c1O ZINC000858580931 682981720 /nfs/dbraw/zinc/98/17/20/682981720.db2.gz ZXTSJFWSFQHCDI-IUCAKERBSA-N 1 0 361.236 2.222 20 10 FECDRO CCO[C@H](CNC(=O)N(CC)Cc1ccc(N(C)C)cc1)C[NH+](C)C ZINC000926820041 683175500 /nfs/dbraw/zinc/17/55/00/683175500.db2.gz BWSQTWHYWSIFEU-GOSISDBHSA-N 1 0 350.507 2.251 20 10 FECDRO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000926943295 683187469 /nfs/dbraw/zinc/18/74/69/683187469.db2.gz BZFHZRVIAOIULD-PSLQGDIJSA-N 1 0 350.434 2.117 20 10 FECDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000797605374 683261424 /nfs/dbraw/zinc/26/14/24/683261424.db2.gz QAOSFNJBUJUKLR-OAHLLOKOSA-N 1 0 357.248 2.121 20 10 FECDRO CN(CC[NH2+]Cc1cc(F)ccc1O)S(=O)(=O)c1ccc(F)cc1 ZINC000798086890 683307549 /nfs/dbraw/zinc/30/75/49/683307549.db2.gz XJWVMWWKNXWKAF-UHFFFAOYSA-N 1 0 356.394 2.081 20 10 FECDRO COC(=O)C[C@@]1([NH2+]Cc2c(O)cccc2Br)CCCOC1 ZINC000862328453 683570098 /nfs/dbraw/zinc/57/00/98/683570098.db2.gz OKMJKSBFUOOJBI-HNNXBMFYSA-N 1 0 358.232 2.357 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000862481196 683594812 /nfs/dbraw/zinc/59/48/12/683594812.db2.gz CKTRFFSCLUXJSR-AWEZNQCLSA-N 1 0 358.833 2.160 20 10 FECDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000862475517 683594898 /nfs/dbraw/zinc/59/48/98/683594898.db2.gz NJRXQWQFDFJIRH-OAHLLOKOSA-N 1 0 358.232 2.227 20 10 FECDRO C[C@H](NCC1([NH3+])CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000863540815 683740189 /nfs/dbraw/zinc/74/01/89/683740189.db2.gz HZRDFYMQXLGRGG-AWEZNQCLSA-N 1 0 353.894 2.335 20 10 FECDRO CO[C@]1(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCOC1 ZINC000876947027 686299094 /nfs/dbraw/zinc/29/90/94/686299094.db2.gz YXGIPSHQBHCUTB-DOXZYTNZSA-N 1 0 352.450 2.334 20 10 FECDRO CCc1nnc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000877952821 686488730 /nfs/dbraw/zinc/48/87/30/686488730.db2.gz YVFWPUWEXLQEDV-UHFFFAOYSA-N 1 0 360.487 2.174 20 10 FECDRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@H](C)c1ccccc1O ZINC000879648260 686879550 /nfs/dbraw/zinc/87/95/50/686879550.db2.gz GZUUFTUXZNXFKV-YUSFRKCESA-N 1 0 350.440 2.023 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000881854348 687234673 /nfs/dbraw/zinc/23/46/73/687234673.db2.gz CNENHXGXWODAPL-NVXWUHKLSA-N 1 0 366.303 2.228 20 10 FECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCOC1 ZINC000883174460 687582143 /nfs/dbraw/zinc/58/21/43/687582143.db2.gz KYRQPQGRTHXFRZ-SJLPKXTDSA-N 1 0 352.450 2.194 20 10 FECDRO COCCC[NH+]1CCC(NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000892687754 689228816 /nfs/dbraw/zinc/22/88/16/689228816.db2.gz VSFPUIUCMWOFIJ-UHFFFAOYSA-N 1 0 355.866 2.346 20 10 FECDRO COCC[C@@H](C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895339331 689698939 /nfs/dbraw/zinc/69/89/39/689698939.db2.gz LWJZEAILKUXFCP-CRAIPNDOSA-N 1 0 350.507 2.327 20 10 FECDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c(O)c1OC ZINC000895997450 689804923 /nfs/dbraw/zinc/80/49/23/689804923.db2.gz JBADFFMVYVWLPA-HNNXBMFYSA-N 1 0 351.443 2.475 20 10 FECDRO COc1c(O)c(C[NH+]2CCC(CO)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000897037543 689966130 /nfs/dbraw/zinc/96/61/30/689966130.db2.gz QQLGMQVXSXWYTK-UHFFFAOYSA-N 1 0 364.320 2.446 20 10 FECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723606 690237862 /nfs/dbraw/zinc/23/78/62/690237862.db2.gz GRRWBNVVVRHSMK-SNVBAGLBSA-N 1 0 352.232 2.464 20 10 FECDRO CCC[C@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899095971 690302918 /nfs/dbraw/zinc/30/29/18/690302918.db2.gz NYZDMFLAHDTLQO-ZWKOTPCHSA-N 1 0 350.507 2.206 20 10 FECDRO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000903261775 690876322 /nfs/dbraw/zinc/87/63/22/690876322.db2.gz XUZUTYWBOOYJSC-HSBZDZAISA-N 1 0 351.878 2.481 20 10 FECDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)N(C)C)cc1 ZINC000903447857 690894757 /nfs/dbraw/zinc/89/47/57/690894757.db2.gz DMCUELQCAZEXMH-FHWLQOOXSA-N 1 0 367.559 2.301 20 10 FECDRO CC[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000905054657 691062261 /nfs/dbraw/zinc/06/22/61/691062261.db2.gz KNGKNZIYLOTGOU-OAHLLOKOSA-N 1 0 350.356 2.455 20 10 FECDRO O[C@@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(O)CCC1 ZINC000905133027 691072285 /nfs/dbraw/zinc/07/22/85/691072285.db2.gz DVOJPKNLFMGKNA-CJNGLKHVSA-N 1 0 356.413 2.122 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)NCCF ZINC000800498203 674057463 /nfs/dbraw/zinc/05/74/63/674057463.db2.gz FBRXETJBFCUJEM-QWHCGFSZSA-N 1 0 357.857 2.301 20 10 FECDRO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000057088924 540767613 /nfs/dbraw/zinc/76/76/13/540767613.db2.gz AZIGIWOURYZGBY-LLVKDONJSA-N 1 0 361.423 2.428 20 10 FECDRO O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000070858253 541747272 /nfs/dbraw/zinc/74/72/72/541747272.db2.gz PNJOBISRFCMCLZ-HNNXBMFYSA-N 1 0 357.376 2.422 20 10 FECDRO CC1CC[NH+](CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000079050608 542496536 /nfs/dbraw/zinc/49/65/36/542496536.db2.gz CUGZESBXUPZSOZ-UHFFFAOYSA-N 1 0 374.529 2.397 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081557861 542665015 /nfs/dbraw/zinc/66/50/15/542665015.db2.gz YATGWNDOJMLZEL-IAGOWNOFSA-N 1 0 361.461 2.153 20 10 FECDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3cc(C)on3)CC2)cc1F ZINC000084866647 542721683 /nfs/dbraw/zinc/72/16/83/542721683.db2.gz LVSLEOZONLHKJO-UHFFFAOYSA-N 1 0 362.405 2.282 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccn(C)n3)cc2F)CC1 ZINC000107052436 543260773 /nfs/dbraw/zinc/26/07/73/543260773.db2.gz MNFGTIMNONGAQD-UHFFFAOYSA-N 1 0 360.437 2.023 20 10 FECDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000132949511 544249576 /nfs/dbraw/zinc/24/95/76/544249576.db2.gz OOKPTFXVHGJZSG-QGZVFWFLSA-N 1 0 373.409 2.143 20 10 FECDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(Br)ccc1O ZINC000155108709 544990936 /nfs/dbraw/zinc/99/09/36/544990936.db2.gz WTCXVGGYYTWNEK-CYBMUJFWSA-N 1 0 371.275 2.478 20 10 FECDRO C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)[N@H+](C)C1CC1 ZINC000805186777 674325008 /nfs/dbraw/zinc/32/50/08/674325008.db2.gz SREDWJWSCBGCTF-JTQLQIEISA-N 1 0 356.264 2.437 20 10 FECDRO CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1O ZINC000806171038 674369718 /nfs/dbraw/zinc/36/97/18/674369718.db2.gz PRBAJXATCDDCSD-GDBMZVCRSA-N 1 0 355.504 2.012 20 10 FECDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178522956 546807505 /nfs/dbraw/zinc/80/75/05/546807505.db2.gz JWVHRFITCHAAKQ-MRXNPFEDSA-N 1 0 365.493 2.160 20 10 FECDRO COc1cc(O)c(CN2CCN(C(=O)c3cccs3)CC2)cc1OC ZINC000179433633 546952180 /nfs/dbraw/zinc/95/21/80/546952180.db2.gz HCELCPYEFXXBQD-UHFFFAOYSA-N 1 0 362.451 2.429 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000182381901 547482063 /nfs/dbraw/zinc/48/20/63/547482063.db2.gz HIQLYWDJSPZBBN-MRXNPFEDSA-N 1 0 369.465 2.400 20 10 FECDRO C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183045820 547591317 /nfs/dbraw/zinc/59/13/17/547591317.db2.gz AHBZCQITCYTDRW-STQMWFEESA-N 1 0 362.442 2.280 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000183081795 547598325 /nfs/dbraw/zinc/59/83/25/547598325.db2.gz FWZGOHHHTWRCMV-UHFFFAOYSA-N 1 0 356.470 2.360 20 10 FECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1O ZINC000184677057 547863919 /nfs/dbraw/zinc/86/39/19/547863919.db2.gz OWZSAIHFQKKIQW-CYBMUJFWSA-N 1 0 368.861 2.125 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000185140728 547938851 /nfs/dbraw/zinc/93/88/51/547938851.db2.gz NXSWYDBMHGXERM-KBXCAEBGSA-N 1 0 352.500 2.259 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000185140767 547938961 /nfs/dbraw/zinc/93/89/61/547938961.db2.gz NXSWYDBMHGXERM-KSSFIOAISA-N 1 0 352.500 2.259 20 10 FECDRO Cc1cc(C(=O)CN2CCN(C[C@H](C)O)CC2)c(C)n1-c1cccc(F)c1 ZINC000189378129 548301586 /nfs/dbraw/zinc/30/15/86/548301586.db2.gz GGNNGXJXJOWNBJ-INIZCTEOSA-N 1 0 373.472 2.414 20 10 FECDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)C1=O ZINC000191640398 548348064 /nfs/dbraw/zinc/34/80/64/548348064.db2.gz IHUMFOMZSGYXGU-QGZVFWFLSA-N 1 0 353.470 2.181 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266845420 550024522 /nfs/dbraw/zinc/02/45/22/550024522.db2.gz JJLOFOIEHMICCF-LJQANCHMSA-N 1 0 372.513 2.151 20 10 FECDRO COc1cccc(CNC(=O)NC2CC[NH+](CCOC(C)C)CC2)c1O ZINC000267006804 550026448 /nfs/dbraw/zinc/02/64/48/550026448.db2.gz FLWAKSXGZAIEFJ-UHFFFAOYSA-N 1 0 365.474 2.089 20 10 FECDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000267292870 550029672 /nfs/dbraw/zinc/02/96/72/550029672.db2.gz CRBOCTDCTZTPKH-PKOBYXMFSA-N 1 0 360.502 2.195 20 10 FECDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000267427163 550031807 /nfs/dbraw/zinc/03/18/07/550031807.db2.gz BOUOPBXQBMAKJH-OCCSQVGLSA-N 1 0 366.433 2.097 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2F)C[C@H](C)O1 ZINC000268850031 550123569 /nfs/dbraw/zinc/12/35/69/550123569.db2.gz KADUCXKIWAZNGK-OKILXGFUSA-N 1 0 364.465 2.072 20 10 FECDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269230455 550169884 /nfs/dbraw/zinc/16/98/84/550169884.db2.gz CSAHJMSTQJRFOB-NRFANRHFSA-N 1 0 367.493 2.082 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1C ZINC000269314077 550179708 /nfs/dbraw/zinc/17/97/08/550179708.db2.gz GVFYRYNHFOGWQQ-HNNXBMFYSA-N 1 0 352.442 2.157 20 10 FECDRO CCCOc1ccc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c(O)c1 ZINC000271162406 550347309 /nfs/dbraw/zinc/34/73/09/550347309.db2.gz YAWMTUHPVXJRMW-QGZVFWFLSA-N 1 0 355.475 2.415 20 10 FECDRO COc1cc(O)c(C[N@H+](C)C[C@H](O)COCc2ccccc2)cc1OC ZINC000271718451 550397457 /nfs/dbraw/zinc/39/74/57/550397457.db2.gz IZNDFMQTQKDPEY-KRWDZBQOSA-N 1 0 361.438 2.419 20 10 FECDRO COc1cc(O)c(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000271718453 550397493 /nfs/dbraw/zinc/39/74/93/550397493.db2.gz IZNDFMQTQKDPEY-QGZVFWFLSA-N 1 0 361.438 2.419 20 10 FECDRO COC(=O)CCCN1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271834970 550404941 /nfs/dbraw/zinc/40/49/41/550404941.db2.gz RRTJKJXXVTUHLK-UHFFFAOYSA-N 1 0 351.466 2.399 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNc3ncc([N+](=O)[O-])cn3)CC2)cc1 ZINC000273236631 550490760 /nfs/dbraw/zinc/49/07/60/550490760.db2.gz YASUQLMAHBPKAM-UHFFFAOYSA-N 1 0 372.429 2.018 20 10 FECDRO CC(C)[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CC[NH+](C)CC1 ZINC000273301137 550493802 /nfs/dbraw/zinc/49/38/02/550493802.db2.gz BLKFJWWYTYVRAZ-PBHICJAKSA-N 1 0 350.463 2.223 20 10 FECDRO C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273551147 550502794 /nfs/dbraw/zinc/50/27/94/550502794.db2.gz FYJDCGLDZMDUCG-CQSZACIVSA-N 1 0 350.463 2.225 20 10 FECDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000276279209 550577847 /nfs/dbraw/zinc/57/78/47/550577847.db2.gz RILRYOZSRYROBY-INIZCTEOSA-N 1 0 374.529 2.138 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ncccc3F)cc2F)CC1 ZINC000280985655 551051766 /nfs/dbraw/zinc/05/17/66/551051766.db2.gz SPDKUPYCXFMOMJ-UHFFFAOYSA-N 1 0 374.435 2.361 20 10 FECDRO CN(C(=O)NCc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287325283 551989787 /nfs/dbraw/zinc/98/97/87/551989787.db2.gz WQTMWABMMXSFLC-YOFSQIOKSA-N 1 0 372.513 2.290 20 10 FECDRO Cc1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(C)n1-c1ccccc1 ZINC000289320021 552300857 /nfs/dbraw/zinc/30/08/57/552300857.db2.gz UOMIBOSJCDNUCQ-IBGZPJMESA-N 1 0 352.482 2.214 20 10 FECDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000289905705 552396832 /nfs/dbraw/zinc/39/68/32/552396832.db2.gz NDZAADJUHUEZLD-LJIGWXMPSA-N 1 0 363.477 2.444 20 10 FECDRO Cc1cnn([C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1 ZINC000290004782 552412649 /nfs/dbraw/zinc/41/26/49/552412649.db2.gz UCHVGIREJRNCJH-IBGZPJMESA-N 1 0 355.486 2.163 20 10 FECDRO Cc1ccccc1[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000294634979 552922507 /nfs/dbraw/zinc/92/25/07/552922507.db2.gz ARMNFDVNQXWCEE-FQEVSTJZSA-N 1 0 353.466 2.490 20 10 FECDRO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H]2CCc3cccc(O)c32)CC1 ZINC000296477893 553166782 /nfs/dbraw/zinc/16/67/82/553166782.db2.gz ODLKYYAINDJFSI-LFPIHBKWSA-N 1 0 351.468 2.156 20 10 FECDRO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H]2CCc3cccc(O)c32)CC1 ZINC000296477886 553166848 /nfs/dbraw/zinc/16/68/48/553166848.db2.gz ODLKYYAINDJFSI-BSEYFRJRSA-N 1 0 351.468 2.156 20 10 FECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000296498101 553169868 /nfs/dbraw/zinc/16/98/68/553169868.db2.gz OYSKCIQBBQEYHP-ONGXEEELSA-N 1 0 365.293 2.133 20 10 FECDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000297316207 553277597 /nfs/dbraw/zinc/27/75/97/553277597.db2.gz IPNJXDSLLCUDFY-NRFANRHFSA-N 1 0 372.513 2.151 20 10 FECDRO CCn1ccnc1[C@@H](C)[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000297856566 553348093 /nfs/dbraw/zinc/34/80/93/553348093.db2.gz TURKEESMECNCLF-QGZVFWFLSA-N 1 0 357.502 2.384 20 10 FECDRO O=S1(=O)CCC[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000362252998 554958216 /nfs/dbraw/zinc/95/82/16/554958216.db2.gz DWOZUWWTKZLIMK-CQSZACIVSA-N 1 0 374.453 2.424 20 10 FECDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)cc1F ZINC000364112666 555251740 /nfs/dbraw/zinc/25/17/40/555251740.db2.gz VFEVULQNYZZPJC-JKSUJKDBSA-N 1 0 361.461 2.357 20 10 FECDRO Cc1ccc(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)c(O)c1O ZINC000365034963 555469978 /nfs/dbraw/zinc/46/99/78/555469978.db2.gz ATUGBPTZMBJMAJ-UHFFFAOYSA-N 1 0 355.438 2.238 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCOCC3)cc2F)CC1 ZINC000365495459 555590999 /nfs/dbraw/zinc/59/09/99/555590999.db2.gz ZKDPIZJIXQBGDW-QGZVFWFLSA-N 1 0 363.477 2.401 20 10 FECDRO CN1CCc2cc(C[NH2+]CC(=O)N[C@@H]3CCOc4ccccc43)ccc21 ZINC000367057583 556000779 /nfs/dbraw/zinc/00/07/79/556000779.db2.gz KWVCDYGMIPYFSV-GOSISDBHSA-N 1 0 351.450 2.409 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000367069477 556000901 /nfs/dbraw/zinc/00/09/01/556000901.db2.gz WKMQLTDGGVBCLC-ZKYUUJBMSA-N 1 0 357.498 2.356 20 10 FECDRO CCOC(=O)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367176127 556003072 /nfs/dbraw/zinc/00/30/72/556003072.db2.gz GUNFFHDVESWYBW-CQSZACIVSA-N 1 0 354.834 2.079 20 10 FECDRO O=C(Cc1cncnc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000368151800 556231057 /nfs/dbraw/zinc/23/10/57/556231057.db2.gz JVMLSHCGCZSQQJ-INIZCTEOSA-N 1 0 360.845 2.159 20 10 FECDRO CCOc1cccc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1O ZINC000370829692 556982102 /nfs/dbraw/zinc/98/21/02/556982102.db2.gz IFHUBHVNUQGWMO-HNNXBMFYSA-N 1 0 355.438 2.258 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 ZINC000371331601 557148575 /nfs/dbraw/zinc/14/85/75/557148575.db2.gz JGEKYWCNTATKMU-HXUWFJFHSA-N 1 0 358.486 2.343 20 10 FECDRO COc1ccc(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000373665394 557734290 /nfs/dbraw/zinc/73/42/90/557734290.db2.gz HVFZNPGRGXITLB-IBGZPJMESA-N 1 0 370.449 2.308 20 10 FECDRO COCCn1ncc2c1[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)CCC2 ZINC000375210105 557992387 /nfs/dbraw/zinc/99/23/87/557992387.db2.gz XZWGPXSDVUEVPK-OAHLLOKOSA-N 1 0 361.442 2.420 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377708716 558402480 /nfs/dbraw/zinc/40/24/80/558402480.db2.gz XQMYSFWIUKITSW-JKSUJKDBSA-N 1 0 364.442 2.270 20 10 FECDRO Cn1cc([C@@H]2[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)CCC[N@@H+]2C)cn1 ZINC000378537490 558577794 /nfs/dbraw/zinc/57/77/94/558577794.db2.gz FAJKQWDKCWXNPJ-LMHMUCQPSA-N 1 0 370.453 2.044 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422379741 559583496 /nfs/dbraw/zinc/58/34/96/559583496.db2.gz MREREFQSAJJYMQ-UHFFFAOYSA-N 1 0 370.497 2.094 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000527467021 562289119 /nfs/dbraw/zinc/28/91/19/562289119.db2.gz PYIWLYRHRRUVFL-MRXNPFEDSA-N 1 0 371.529 2.169 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529356032 562370743 /nfs/dbraw/zinc/37/07/43/562370743.db2.gz YSKAAZLUCZVCID-GFCCVEGCSA-N 1 0 354.248 2.239 20 10 FECDRO CN(Cc1cccc(-c2nn[nH]n2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736768322 598727748 /nfs/dbraw/zinc/72/77/48/598727748.db2.gz DLVNPIDXAYAGKZ-UHFFFAOYSA-N 1 0 352.442 2.444 20 10 FECDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000809785960 674509854 /nfs/dbraw/zinc/50/98/54/674509854.db2.gz IZVFTGZFPCHLFP-ZDUSSCGKSA-N 1 0 358.479 2.413 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210296 608500459 /nfs/dbraw/zinc/50/04/59/608500459.db2.gz LVBQXVSXBGGGFW-LBPRGKRZSA-N 1 0 355.398 2.311 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CCCc2cnn(C)n2)c1O ZINC000815145467 674923643 /nfs/dbraw/zinc/92/36/43/674923643.db2.gz VCBCWTUUGOWZQC-UHFFFAOYSA-N 1 0 355.236 2.014 20 10 FECDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000113321635 670883238 /nfs/dbraw/zinc/88/32/38/670883238.db2.gz FXZAJOWYRIIISU-UHFFFAOYSA-N 1 0 357.495 2.186 20 10 FECDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCS(=O)(=O)NC)cc1 ZINC000190304321 672636491 /nfs/dbraw/zinc/63/64/91/672636491.db2.gz YUFPDBXTECUDSY-UHFFFAOYSA-N 1 0 361.511 2.352 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cccc(F)c3F)cc2)CC1 ZINC000733330546 673410062 /nfs/dbraw/zinc/41/00/62/673410062.db2.gz ANFOMIBAMMUWOQ-UHFFFAOYSA-N 1 0 366.433 2.489 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C3CCS(=O)(=O)CC3)C2)cc1 ZINC000818342120 675215702 /nfs/dbraw/zinc/21/57/02/675215702.db2.gz LWARQKZVPOLEQD-HZPDHXFCSA-N 1 0 366.527 2.324 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1 ZINC000822818087 675508944 /nfs/dbraw/zinc/50/89/44/675508944.db2.gz JOKWQXPHKOHXIK-OLZOCXBDSA-N 1 0 354.447 2.279 20 10 FECDRO COc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000824832331 675624542 /nfs/dbraw/zinc/62/45/42/675624542.db2.gz XTQWDZMLISSEME-AAEUAGOBSA-N 1 0 358.360 2.243 20 10 FECDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Br)cc1O ZINC000825621631 675661289 /nfs/dbraw/zinc/66/12/89/675661289.db2.gz NHOQDXNOUXEBAS-LBPRGKRZSA-N 1 0 357.292 2.432 20 10 FECDRO COCC[N@H+]1[C@H](C)CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000826632584 675696578 /nfs/dbraw/zinc/69/65/78/675696578.db2.gz ISDKXZXLEOSMJT-BETUJISGSA-N 1 0 353.419 2.157 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000840909687 680852239 /nfs/dbraw/zinc/85/22/39/680852239.db2.gz GNJVSLBJZANTKC-QGZVFWFLSA-N 1 0 353.532 2.355 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc(Br)nn2C)cc1 ZINC000841043264 680860712 /nfs/dbraw/zinc/86/07/12/680860712.db2.gz QAHLKVDBFFZJSE-CQSZACIVSA-N 1 0 352.280 2.038 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831193411 679943943 /nfs/dbraw/zinc/94/39/43/679943943.db2.gz KFGLEZMKQXZTHL-ZDUSSCGKSA-N 1 0 354.248 2.096 20 10 FECDRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000748323615 679952639 /nfs/dbraw/zinc/95/26/39/679952639.db2.gz NTIRXJXQEJAYPV-UHFFFAOYSA-N 1 0 367.515 2.154 20 10 FECDRO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[NH+](C)C ZINC000750016979 680095927 /nfs/dbraw/zinc/09/59/27/680095927.db2.gz PANQRUKIUMHXLH-LBPRGKRZSA-N 1 0 359.392 2.108 20 10 FECDRO CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c(O)c1 ZINC000755218976 680405313 /nfs/dbraw/zinc/40/53/13/680405313.db2.gz BMKPAKRZODKFKV-UHFFFAOYSA-N 1 0 370.515 2.473 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cc(F)cc(F)c3)cc2)CC1 ZINC000756029360 680455192 /nfs/dbraw/zinc/45/51/92/680455192.db2.gz ZPLKFIQMUGSKRB-UHFFFAOYSA-N 1 0 366.433 2.489 20 10 FECDRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(Br)ccc1O ZINC000756400073 680476583 /nfs/dbraw/zinc/47/65/83/680476583.db2.gz ASYHACFZWBEBJK-SNVBAGLBSA-N 1 0 365.293 2.087 20 10 FECDRO C[NH+](C)[C@]1(CNC(=O)NCCCSc2nccs2)CCSC1 ZINC000759584344 680657171 /nfs/dbraw/zinc/65/71/71/680657171.db2.gz LVFFGNOBRZWVIK-AWEZNQCLSA-N 1 0 360.574 2.362 20 10 FECDRO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843562 680914533 /nfs/dbraw/zinc/91/45/33/680914533.db2.gz JGCXMYQUQRNIRT-STQMWFEESA-N 1 0 356.417 2.293 20 10 FECDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000841947241 680918489 /nfs/dbraw/zinc/91/84/89/680918489.db2.gz DLQWAGOEVBKUIA-GWCFXTLKSA-N 1 0 356.264 2.471 20 10 FECDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000842225084 680933676 /nfs/dbraw/zinc/93/36/76/680933676.db2.gz HDMGRGYGAWYTIJ-QAPCUYQASA-N 1 0 351.447 2.197 20 10 FECDRO CN(CC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)C(=O)OC(C)(C)C ZINC000768459965 680947626 /nfs/dbraw/zinc/94/76/26/680947626.db2.gz IPSINAJCURFOMV-HNNXBMFYSA-N 1 0 352.431 2.117 20 10 FECDRO Cc1ccc(F)c(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842784874 680966145 /nfs/dbraw/zinc/96/61/45/680966145.db2.gz MTALAQKHRPQKOR-INIZCTEOSA-N 1 0 351.447 2.178 20 10 FECDRO Cc1cccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1F ZINC000842784783 680966211 /nfs/dbraw/zinc/96/62/11/680966211.db2.gz LVGUMHGDZYZQJN-HNNXBMFYSA-N 1 0 351.447 2.178 20 10 FECDRO Cc1c(F)cccc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785080 680966291 /nfs/dbraw/zinc/96/62/91/680966291.db2.gz OHAVBTVWSKFVMU-MRXNPFEDSA-N 1 0 351.447 2.178 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000842785723 680966374 /nfs/dbraw/zinc/96/63/74/680966374.db2.gz KFUAVGHKXMMYFC-MRXNPFEDSA-N 1 0 355.410 2.009 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1O ZINC000842885175 680973477 /nfs/dbraw/zinc/97/34/77/680973477.db2.gz WKHWAXLHMRQBPQ-YPMHNXCESA-N 1 0 351.399 2.417 20 10 FECDRO Cc1noc(C)c1CSCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296831 680996452 /nfs/dbraw/zinc/99/64/52/680996452.db2.gz GVCZHFHGMNKXNV-QGZVFWFLSA-N 1 0 362.499 2.407 20 10 FECDRO CS(=O)(=O)c1cccc(OCCN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350379 680999376 /nfs/dbraw/zinc/99/93/76/680999376.db2.gz OBKPHAXSPHPDSU-UHFFFAOYSA-N 1 0 360.479 2.380 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1F ZINC000772599751 681104116 /nfs/dbraw/zinc/10/41/16/681104116.db2.gz NXHZCNKAYKCDGT-INIZCTEOSA-N 1 0 371.522 2.433 20 10 FECDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000846163441 681192828 /nfs/dbraw/zinc/19/28/28/681192828.db2.gz AJKMEFWNYJRXBO-ZDUSSCGKSA-N 1 0 365.451 2.018 20 10 FECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2O)[C@H]1OC ZINC000775978421 681354462 /nfs/dbraw/zinc/35/44/62/681354462.db2.gz LJIIEADLGKFJES-UXIGCNINSA-N 1 0 360.248 2.445 20 10 FECDRO CN(C)c1ccc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)cc1F ZINC000849111636 681655566 /nfs/dbraw/zinc/65/55/66/681655566.db2.gz XVRPCZNSHIZIBJ-UHFFFAOYSA-N 1 0 353.442 2.030 20 10 FECDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850355694 681890171 /nfs/dbraw/zinc/89/01/71/681890171.db2.gz KGJHKLDGUUSXLW-YPCHGGDPSA-N 1 0 354.491 2.442 20 10 FECDRO C[C@H](CSCCF)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850435470 681901598 /nfs/dbraw/zinc/90/15/98/681901598.db2.gz OFCSWGWEJHZMPM-CQSZACIVSA-N 1 0 360.520 2.102 20 10 FECDRO O=C(NCCCSc1nccs1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853857394 682480016 /nfs/dbraw/zinc/48/00/16/682480016.db2.gz BAFUBPOJPSTPLI-AWEZNQCLSA-N 1 0 370.544 2.178 20 10 FECDRO C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)cc(F)c1[O-] ZINC000854231805 682526729 /nfs/dbraw/zinc/52/67/29/682526729.db2.gz IUHKJGBDOZKGDB-SSDOTTSWSA-N 1 0 371.210 2.099 20 10 FECDRO COc1cccc(O)c1C[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000858280460 682952291 /nfs/dbraw/zinc/95/22/91/682952291.db2.gz SYQCPIZWPLETPB-ZDUSSCGKSA-N 1 0 352.431 2.126 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858343111 682959283 /nfs/dbraw/zinc/95/92/83/682959283.db2.gz SSJURBXVZKSPCT-ZDUSSCGKSA-N 1 0 369.259 2.406 20 10 FECDRO COc1cc(N2CC[NH+](CC3CC(OC)C3)CC2)cc(OC)c1OC ZINC000859252148 683065369 /nfs/dbraw/zinc/06/53/69/683065369.db2.gz KNCWYNRDACHGOT-UHFFFAOYSA-N 1 0 350.459 2.259 20 10 FECDRO CN(C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1)S(C)(=O)=O ZINC000795657904 683078188 /nfs/dbraw/zinc/07/81/88/683078188.db2.gz ZGURMSBLNSLJLK-OAHLLOKOSA-N 1 0 366.527 2.374 20 10 FECDRO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000926953210 683188540 /nfs/dbraw/zinc/18/85/40/683188540.db2.gz JSUAKUGIBKRJKP-CQSZACIVSA-N 1 0 372.506 2.384 20 10 FECDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862364646 683577418 /nfs/dbraw/zinc/57/74/18/683577418.db2.gz FSNFHMAKJASFQC-STQMWFEESA-N 1 0 355.276 2.450 20 10 FECDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862419650 683588895 /nfs/dbraw/zinc/58/88/95/683588895.db2.gz RHMGPYGNVOBGAP-LLVKDONJSA-N 1 0 356.264 2.342 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1O ZINC000922724098 683773126 /nfs/dbraw/zinc/77/31/26/683773126.db2.gz DLNHLZMGTVMBHY-OSMZGAPFSA-N 1 0 358.232 2.057 20 10 FECDRO C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000865783018 684028220 /nfs/dbraw/zinc/02/82/20/684028220.db2.gz KKXMPMNRSHJGOS-LBPRGKRZSA-N 1 0 363.435 2.418 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CCc2cccc(F)c2)cc1 ZINC000923634491 684318455 /nfs/dbraw/zinc/31/84/55/684318455.db2.gz KKQQHMAIITXGRA-GOSISDBHSA-N 1 0 365.474 2.054 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)CC(C)(C)O)cc2F)C[C@@H](C)O1 ZINC000872201099 684926909 /nfs/dbraw/zinc/92/69/09/684926909.db2.gz OCQJRBLQMCCZQE-IIAWOOMASA-N 1 0 354.466 2.051 20 10 FECDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876758972 686262070 /nfs/dbraw/zinc/26/20/70/686262070.db2.gz MASNUPQQXDVMMI-QGZVFWFLSA-N 1 0 364.511 2.128 20 10 FECDRO C[NH+](C)C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C[NH+](C)C ZINC000877669581 686433241 /nfs/dbraw/zinc/43/32/41/686433241.db2.gz PFUMONISMZYHLF-ZIAGYGMSSA-N 1 0 370.881 2.125 20 10 FECDRO COc1cc(O)c(C[NH2+]Cc2c(Br)cnn2C)cc1OC ZINC000877674814 686434858 /nfs/dbraw/zinc/43/48/58/686434858.db2.gz MKGUDQPLNWMHFP-UHFFFAOYSA-N 1 0 356.220 2.195 20 10 FECDRO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000877799000 686465772 /nfs/dbraw/zinc/46/57/72/686465772.db2.gz HDTBQDHWTUVPAG-COXVUDFISA-N 1 0 350.434 2.163 20 10 FECDRO Cc1noc(Cl)c1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851446 687234185 /nfs/dbraw/zinc/23/41/85/687234185.db2.gz KGGCSOHAAKKUNB-UHFFFAOYSA-N 1 0 362.861 2.247 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@]3(C)Br)cc2)CC1 ZINC000881854349 687234937 /nfs/dbraw/zinc/23/49/37/687234937.db2.gz CNENHXGXWODAPL-RDJZCZTQSA-N 1 0 366.303 2.228 20 10 FECDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC3(C)CCC3)cc2)CC1 ZINC000882663345 687431601 /nfs/dbraw/zinc/43/16/01/687431601.db2.gz WDQSUTCSISNNGK-UHFFFAOYSA-N 1 0 351.516 2.048 20 10 FECDRO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCOCC3)cc1)CSCC2 ZINC000882915496 687527001 /nfs/dbraw/zinc/52/70/01/687527001.db2.gz RTRWSYPKWWFJLJ-UHFFFAOYSA-N 1 0 358.511 2.336 20 10 FECDRO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000883306352 687605555 /nfs/dbraw/zinc/60/55/55/687605555.db2.gz TZNFKFQCVXRFKU-GOEBONIOSA-N 1 0 370.490 2.280 20 10 FECDRO CCSCCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883675976 687698900 /nfs/dbraw/zinc/69/89/00/687698900.db2.gz XJWZXOUAXSBKKS-UHFFFAOYSA-N 1 0 350.532 2.381 20 10 FECDRO Cc1nn(C)c(Cl)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255992 689040849 /nfs/dbraw/zinc/04/08/49/689040849.db2.gz USLWCPXKNIOTLI-HNNXBMFYSA-N 1 0 363.893 2.481 20 10 FECDRO O=C(NCCCSc1nccs1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891674190 689090759 /nfs/dbraw/zinc/09/07/59/689090759.db2.gz INJFDTJYPMNXQN-SNVBAGLBSA-N 1 0 350.460 2.169 20 10 FECDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000893947215 689435618 /nfs/dbraw/zinc/43/56/18/689435618.db2.gz URKRLPVUABFHEC-HNNXBMFYSA-N 1 0 356.488 2.003 20 10 FECDRO COC(=O)c1c(C[NH2+]CC[C@H](C)[S@](C)=O)c2cc(F)ccc2n1C ZINC000894410606 689526671 /nfs/dbraw/zinc/52/66/71/689526671.db2.gz RRCWWZUACTVHNB-BUBHHJDNSA-N 1 0 354.447 2.351 20 10 FECDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(OC)c(OC)cc1O)C(F)(F)F ZINC000895710851 689758797 /nfs/dbraw/zinc/75/87/97/689758797.db2.gz NWQRHLYVCQBYMR-YVACAVLKSA-N 1 0 365.348 2.343 20 10 FECDRO COCC[NH+]1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895887544 689789154 /nfs/dbraw/zinc/78/91/54/689789154.db2.gz BEFBPFSZCVPMGF-UHFFFAOYSA-N 1 0 350.440 2.153 20 10 FECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c(O)c1OC ZINC000896054444 689813060 /nfs/dbraw/zinc/81/30/60/689813060.db2.gz JQJNHSWONMKBCA-QUHUKJRKSA-N 1 0 351.443 2.472 20 10 FECDRO COc1ccc(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c(O)c1OC ZINC000896471995 689879562 /nfs/dbraw/zinc/87/95/62/689879562.db2.gz XBHWPOYDQKCDHO-SFHVURJKSA-N 1 0 350.415 2.120 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CCN(C)CC[N@@H+](C)CC2)c1 ZINC000897856525 690091686 /nfs/dbraw/zinc/09/16/86/690091686.db2.gz OXVZKYKYCRVTCV-UHFFFAOYSA-N 1 0 356.308 2.142 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)N2C[C@H]3[C@@H](C2)C3(F)F)[NH+](C)C)cc1 ZINC000899097842 690303165 /nfs/dbraw/zinc/30/31/65/690303165.db2.gz HUZOYLKERLBDNP-XHSDSOJGSA-N 1 0 352.429 2.262 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)N(C)OCC(F)(F)F)[NH+](C)C)cc1 ZINC000899099255 690303846 /nfs/dbraw/zinc/30/38/46/690303846.db2.gz XPTGGKFERZJIOA-AWEZNQCLSA-N 1 0 362.396 2.491 20 10 FECDRO CC(C)[C@](C)(CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100917 690304444 /nfs/dbraw/zinc/30/44/44/690304444.db2.gz CZVJKYRCKUSUIX-HKUYNNGSSA-N 1 0 350.507 2.062 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1F ZINC000900636631 690541593 /nfs/dbraw/zinc/54/15/93/690541593.db2.gz KZFMURXTTDTRQV-LJQANCHMSA-N 1 0 351.466 2.135 20 10 FECDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000902801583 690809027 /nfs/dbraw/zinc/80/90/27/690809027.db2.gz BPALTEVOAZPXQC-MJGOQNOKSA-N 1 0 366.527 2.359 20 10 FECDRO [NH3+][C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000903982179 690992053 /nfs/dbraw/zinc/99/20/53/690992053.db2.gz MLJPDJPYLVHZBS-ZFWWWQNUSA-N 1 0 361.383 2.374 20 10 FECDRO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571782 539620177 /nfs/dbraw/zinc/62/01/77/539620177.db2.gz DTRMTSKXSCXMHS-ZDUSSCGKSA-N 1 0 359.392 2.022 20 10 FECDRO CCOCc1cc(C[NH2+]CCC(=O)NCc2cccnc2)ccc1OC ZINC000051188542 540425696 /nfs/dbraw/zinc/42/56/96/540425696.db2.gz DWGADBYRSOKYBU-UHFFFAOYSA-N 1 0 357.454 2.423 20 10 FECDRO CCC[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051686465 540441217 /nfs/dbraw/zinc/44/12/17/540441217.db2.gz PDJWWXXYCIXYGS-OAHLLOKOSA-N 1 0 351.466 2.399 20 10 FECDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000063582185 541174099 /nfs/dbraw/zinc/17/40/99/541174099.db2.gz MDECIXHZJOYGAC-GJZGRUSLSA-N 1 0 351.466 2.396 20 10 FECDRO CCC[N@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1ccccc1O ZINC000068973610 541645938 /nfs/dbraw/zinc/64/59/38/541645938.db2.gz PJXDTOLICWTWMD-HXUWFJFHSA-N 1 0 369.465 2.208 20 10 FECDRO O=S(=O)(N1CCC(C[NH2+]Cc2ccccc2O)CC1)C(F)(F)F ZINC000069876155 541721981 /nfs/dbraw/zinc/72/19/81/541721981.db2.gz XODWKABZUQJWBB-UHFFFAOYSA-N 1 0 352.378 2.043 20 10 FECDRO c1nc2ncnc(NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)c2[nH]1 ZINC000091676902 542819709 /nfs/dbraw/zinc/81/97/09/542819709.db2.gz MDSUJMCKCPFVLQ-UHFFFAOYSA-N 1 0 363.469 2.497 20 10 FECDRO CCOc1cccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c1O ZINC000093533988 542932793 /nfs/dbraw/zinc/93/27/93/542932793.db2.gz ACWCZTGBRMYSCF-UHFFFAOYSA-N 1 0 355.438 2.212 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000108794996 543303511 /nfs/dbraw/zinc/30/35/11/543303511.db2.gz ILTWSWXWRUWDGB-FKIZTMCRSA-N 1 0 355.482 2.233 20 10 FECDRO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000111235249 543388680 /nfs/dbraw/zinc/38/86/80/543388680.db2.gz PBZQMDZZIPGZFQ-GOEBONIOSA-N 1 0 356.422 2.169 20 10 FECDRO C[C@H](CNC(=O)NCc1cc(Br)ccc1O)[N@H+](C)C1CC1 ZINC000805186778 674324860 /nfs/dbraw/zinc/32/48/60/674324860.db2.gz SREDWJWSCBGCTF-SNVBAGLBSA-N 1 0 356.264 2.437 20 10 FECDRO C[NH+](C)C1(CNC(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000805318699 674330727 /nfs/dbraw/zinc/33/07/27/674330727.db2.gz IZOXBGMCWVAESB-UHFFFAOYSA-N 1 0 356.264 2.438 20 10 FECDRO CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1O ZINC000156868766 545671592 /nfs/dbraw/zinc/67/15/92/545671592.db2.gz YALGBCXPUSSTNJ-JSGCOSHPSA-N 1 0 355.481 2.329 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000159448860 545954357 /nfs/dbraw/zinc/95/43/57/545954357.db2.gz SLDMYUKTOYVJQW-OAHLLOKOSA-N 1 0 356.488 2.085 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@H]3CCOC3)cc2F)CC1 ZINC000177202471 546570035 /nfs/dbraw/zinc/57/00/35/546570035.db2.gz GGJINEWZVYOBFG-INIZCTEOSA-N 1 0 363.477 2.401 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180727881 547168628 /nfs/dbraw/zinc/16/86/28/547168628.db2.gz VSFXBVPPKJFIKL-UGSOOPFHSA-N 1 0 361.442 2.089 20 10 FECDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000180786409 547179453 /nfs/dbraw/zinc/17/94/53/547179453.db2.gz SHUKSGZBGYLOLR-YFZXXLGGSA-N 1 0 362.470 2.364 20 10 FECDRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183519328 547674646 /nfs/dbraw/zinc/67/46/46/547674646.db2.gz UCTKQRKQYXKBEV-CQSZACIVSA-N 1 0 364.467 2.168 20 10 FECDRO COc1ccc(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cc1F ZINC000183876350 547732605 /nfs/dbraw/zinc/73/26/05/547732605.db2.gz FOQRBHZEEUNAPY-UHFFFAOYSA-N 1 0 358.417 2.258 20 10 FECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C(N)=O)cc3)c2)CC1 ZINC000187398470 548257752 /nfs/dbraw/zinc/25/77/52/548257752.db2.gz JAGHUTDQTQLKAZ-UHFFFAOYSA-N 1 0 352.438 2.180 20 10 FECDRO Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1O ZINC000188147213 548272450 /nfs/dbraw/zinc/27/24/50/548272450.db2.gz HNYMIZHWVMADRV-NRFANRHFSA-N 1 0 370.449 2.115 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C/c3ccc[nH]3)CC2)cc1 ZINC000189639895 548306222 /nfs/dbraw/zinc/30/62/22/548306222.db2.gz BLLHWUHJGXFPSK-BJMVGYQFSA-N 1 0 368.481 2.365 20 10 FECDRO Cc1ccc([C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)N2CCOCC2)o1 ZINC000237652197 548842159 /nfs/dbraw/zinc/84/21/59/548842159.db2.gz VXZPUWMPVRSLGZ-HNNXBMFYSA-N 1 0 360.410 2.185 20 10 FECDRO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000246680994 549188072 /nfs/dbraw/zinc/18/80/72/549188072.db2.gz VVHHGEYCBKSPJS-FXAWDEMLSA-N 1 0 369.513 2.491 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)CSC)CC2)cc1 ZINC000264505961 549997462 /nfs/dbraw/zinc/99/74/62/549997462.db2.gz QIIKXVFXMWPZSX-MRXNPFEDSA-N 1 0 365.543 2.323 20 10 FECDRO CC(C)[NH+](CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(C)C ZINC000266801089 550024154 /nfs/dbraw/zinc/02/41/54/550024154.db2.gz BWCZXRAPBJKTIP-UHFFFAOYSA-N 1 0 371.503 2.002 20 10 FECDRO COCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000266891010 550025091 /nfs/dbraw/zinc/02/50/91/550025091.db2.gz UVUSONUPBDKETO-GOSISDBHSA-N 1 0 362.518 2.393 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1O ZINC000267366026 550030489 /nfs/dbraw/zinc/03/04/89/550030489.db2.gz JHLZPOMUYHRUIC-CQSZACIVSA-N 1 0 352.862 2.402 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000267467562 550032227 /nfs/dbraw/zinc/03/22/27/550032227.db2.gz WUAQWXKCCOGWKP-KRWDZBQOSA-N 1 0 355.486 2.314 20 10 FECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197472 550038223 /nfs/dbraw/zinc/03/82/23/550038223.db2.gz NZHXABINNPQSBF-OHXZLLPFSA-N 1 0 355.482 2.135 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCC[NH2+]C3)cc2F)C[C@@H](C)O1 ZINC000269365322 550185898 /nfs/dbraw/zinc/18/58/98/550185898.db2.gz VLSOMPGTMNZOPK-STXHMFSFSA-N 1 0 363.477 2.445 20 10 FECDRO CCCOc1ccc(C[N@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000271040483 550334168 /nfs/dbraw/zinc/33/41/68/550334168.db2.gz NTSSZQGUTSEISN-INIZCTEOSA-N 1 0 371.499 2.207 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NCCCO)CC2)cc1F ZINC000271045043 550334753 /nfs/dbraw/zinc/33/47/53/550334753.db2.gz KYDZJTHKXNNEFU-UHFFFAOYSA-N 1 0 365.493 2.383 20 10 FECDRO C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273304121 550493758 /nfs/dbraw/zinc/49/37/58/550493758.db2.gz CJEXGSIBTLFYPK-CQSZACIVSA-N 1 0 371.441 2.298 20 10 FECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000273613451 550505256 /nfs/dbraw/zinc/50/52/56/550505256.db2.gz WVDGIIYDKZFFDT-ZBFHGGJFSA-N 1 0 350.459 2.066 20 10 FECDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1=O ZINC000276590384 550579352 /nfs/dbraw/zinc/57/93/52/550579352.db2.gz DIYLNCBBGANJAL-INIZCTEOSA-N 1 0 359.449 2.393 20 10 FECDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1Cl ZINC000276996186 550619674 /nfs/dbraw/zinc/61/96/74/550619674.db2.gz IZYIJEBZACUUMH-UHFFFAOYSA-N 1 0 369.826 2.468 20 10 FECDRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000277078841 550629334 /nfs/dbraw/zinc/62/93/34/550629334.db2.gz AFGLCTKUIQWKEN-VQFGERMISA-N 1 0 357.498 2.479 20 10 FECDRO C[C@@H](CNC(=O)NCc1cccc(Br)c1O)[N@H+](C)C1CC1 ZINC000277654026 550697006 /nfs/dbraw/zinc/69/70/06/550697006.db2.gz YOQMTQOYHADDLL-JTQLQIEISA-N 1 0 356.264 2.437 20 10 FECDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCC(=O)N1C1CC1 ZINC000284553953 551575743 /nfs/dbraw/zinc/57/57/43/551575743.db2.gz NVXPOYRDQJFKED-DYESRHJHSA-N 1 0 366.465 2.339 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285619242 551784002 /nfs/dbraw/zinc/78/40/02/551784002.db2.gz JRAQFULSLAVAFO-QWHCGFSZSA-N 1 0 354.472 2.008 20 10 FECDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286759297 551923142 /nfs/dbraw/zinc/92/31/42/551923142.db2.gz FVSNCGRAVDBCOP-XLIONFOSSA-N 1 0 358.530 2.270 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccnc3F)cc2F)CC1 ZINC000287443022 552005044 /nfs/dbraw/zinc/00/50/44/552005044.db2.gz CYCGRXAXGBAJGI-UHFFFAOYSA-N 1 0 360.408 2.432 20 10 FECDRO COc1cc(O)c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1OC ZINC000290272483 552452070 /nfs/dbraw/zinc/45/20/70/552452070.db2.gz YCCMDPBVUIMEAK-UHFFFAOYSA-N 1 0 354.410 2.339 20 10 FECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n(C)c1C ZINC000291286442 552610419 /nfs/dbraw/zinc/61/04/19/552610419.db2.gz VFZZSABNIWPMQL-UHFFFAOYSA-N 1 0 357.454 2.247 20 10 FECDRO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(N(C)C)c(C)c1 ZINC000294363128 552900431 /nfs/dbraw/zinc/90/04/31/552900431.db2.gz ASZYPJDDQJTKPP-SFHVURJKSA-N 1 0 362.518 2.043 20 10 FECDRO COC1CCN(c2ccc(CN3CC[N@H+](C[C@@H](C)O)C[C@H]3C)cc2)CC1 ZINC000295653035 553039589 /nfs/dbraw/zinc/03/95/89/553039589.db2.gz DEYQDVHEPVTABK-QZTJIDSGSA-N 1 0 361.530 2.189 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000296286045 553135171 /nfs/dbraw/zinc/13/51/71/553135171.db2.gz OXVBJDVNJFKHKP-DFQSSKMNSA-N 1 0 357.498 2.258 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000298033645 553374492 /nfs/dbraw/zinc/37/44/92/553374492.db2.gz NYUARHXNSBIGRA-UHFFFAOYSA-N 1 0 361.486 2.074 20 10 FECDRO O=C(NCCC[NH+]1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000299117069 553517756 /nfs/dbraw/zinc/51/77/56/553517756.db2.gz SJYJOAWHQFSWEZ-UHFFFAOYSA-N 1 0 360.502 2.198 20 10 FECDRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000328645183 553801336 /nfs/dbraw/zinc/80/13/36/553801336.db2.gz SBXHRNIEAFJHOE-FXAWDEMLSA-N 1 0 356.470 2.124 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000361644560 554927646 /nfs/dbraw/zinc/92/76/46/554927646.db2.gz OHPWNUCPFFCLGN-KRWDZBQOSA-N 1 0 353.470 2.038 20 10 FECDRO O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1COc2ccccc21 ZINC000361734478 554931991 /nfs/dbraw/zinc/93/19/91/554931991.db2.gz QYJKMUQITIZUBI-INIZCTEOSA-N 1 0 355.413 2.028 20 10 FECDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)CC2 ZINC000364793332 555404544 /nfs/dbraw/zinc/40/45/44/555404544.db2.gz UNYNHQUNZFZDAM-KRWDZBQOSA-N 1 0 369.513 2.440 20 10 FECDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(O)c1O ZINC000365007656 555462898 /nfs/dbraw/zinc/46/28/98/555462898.db2.gz AYSJSBLRGQIMGW-MRXNPFEDSA-N 1 0 355.438 2.443 20 10 FECDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cccc(F)c1[O-] ZINC000368023690 556197364 /nfs/dbraw/zinc/19/73/64/556197364.db2.gz XYDXQRCBRWMLKN-UHFFFAOYSA-N 1 0 361.465 2.005 20 10 FECDRO CC[C@@H](c1ccccc1O)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000368037576 556200901 /nfs/dbraw/zinc/20/09/01/556200901.db2.gz NASYVURSRAFMNG-WBVHZDCISA-N 1 0 352.500 2.084 20 10 FECDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000368038055 556201024 /nfs/dbraw/zinc/20/10/24/556201024.db2.gz BRUKNIHJFAJEHM-KRWDZBQOSA-N 1 0 352.500 2.038 20 10 FECDRO CN1CCCc2cc(CNC(=O)N3CCC[N@H+](CC(C)(C)O)CC3)ccc21 ZINC000368703645 556391020 /nfs/dbraw/zinc/39/10/20/556391020.db2.gz JHJUUKKEWMAZOE-UHFFFAOYSA-N 1 0 374.529 2.057 20 10 FECDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000369025169 556479868 /nfs/dbraw/zinc/47/98/68/556479868.db2.gz KEJLXURLPQQCOI-OAHLLOKOSA-N 1 0 372.469 2.180 20 10 FECDRO CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000369433368 556599392 /nfs/dbraw/zinc/59/93/92/556599392.db2.gz BJXFQAHIHLTNOO-DOTOQJQBSA-N 1 0 369.513 2.467 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)CC(=O)NCc3cccnc3)CC2)cc1 ZINC000369816254 556703207 /nfs/dbraw/zinc/70/32/07/556703207.db2.gz QTJRTPHVGJJXOR-UHFFFAOYSA-N 1 0 368.481 2.307 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1O ZINC000370618658 556922391 /nfs/dbraw/zinc/92/23/91/556922391.db2.gz SAKGKXREPPHDDR-YVEFUNNKSA-N 1 0 362.861 2.397 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1O ZINC000371183693 557099831 /nfs/dbraw/zinc/09/98/31/557099831.db2.gz FUFJQQJHYNECFH-GOSISDBHSA-N 1 0 363.477 2.334 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371592352 557232727 /nfs/dbraw/zinc/23/27/27/557232727.db2.gz KNAFGYAOGLQVQT-OUXAZZEQSA-N 1 0 355.482 2.279 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(=O)N2CCSCC2)c1O ZINC000371886153 557319688 /nfs/dbraw/zinc/31/96/88/557319688.db2.gz PJRSQILLFTWGEH-INIZCTEOSA-N 1 0 366.458 2.274 20 10 FECDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000372778079 557560676 /nfs/dbraw/zinc/56/06/76/557560676.db2.gz ZLIFVUGMFKJKHB-UHVLJITJSA-N 1 0 355.482 2.266 20 10 FECDRO CN(C)c1ccc(C2=CC[N@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)cc1 ZINC000374782862 557930849 /nfs/dbraw/zinc/93/08/49/557930849.db2.gz PZCBLUUORDDRAS-INIZCTEOSA-N 1 0 363.527 2.123 20 10 FECDRO COc1ccc(N2CCC(N(C)C(=O)CSCC(C)=O)CC2)cc1 ZINC000377082904 558262350 /nfs/dbraw/zinc/26/23/50/558262350.db2.gz LQZUATACCCWQMO-UHFFFAOYSA-N 1 0 350.484 2.445 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377621720 558379095 /nfs/dbraw/zinc/37/90/95/558379095.db2.gz GHMHLZSHYJSSFA-QFIPXVFZSA-N 1 0 372.557 2.124 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000377740247 558409046 /nfs/dbraw/zinc/40/90/46/558409046.db2.gz TXYAEWLLCPZJTK-BQBKMSKFSA-N 1 0 373.497 2.000 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000377740251 558409382 /nfs/dbraw/zinc/40/93/82/558409382.db2.gz TXYAEWLLCPZJTK-ZRRCRCOKSA-N 1 0 373.497 2.000 20 10 FECDRO CNC(=O)CCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444272720 560107686 /nfs/dbraw/zinc/10/76/86/560107686.db2.gz YOPLVDSQOROHMH-UHFFFAOYSA-N 1 0 370.497 2.050 20 10 FECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000808227191 674447972 /nfs/dbraw/zinc/44/79/72/674447972.db2.gz VGRNBYSZPGDCBW-HNNXBMFYSA-N 1 0 352.500 2.303 20 10 FECDRO C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000833812610 605993040 /nfs/dbraw/zinc/99/30/40/605993040.db2.gz KPUJHAOMCIYRGZ-WMZOPIPTSA-N 1 0 360.502 2.307 20 10 FECDRO Fc1cc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)ccc1N1CCOCC1 ZINC000822748094 606212027 /nfs/dbraw/zinc/21/20/27/606212027.db2.gz HOAPFTHQIRIXSS-UHFFFAOYSA-N 1 0 374.445 2.194 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccccc2-c2nn[nH]n2)c1 ZINC000826210391 608502341 /nfs/dbraw/zinc/50/23/41/608502341.db2.gz PNVKLLXBOFXSLN-GFCCVEGCSA-N 1 0 355.398 2.311 20 10 FECDRO O=S(=O)(CC[NH2+]Cc1ccc2ccccc2c1O)N1CCSCC1 ZINC000816548142 675064231 /nfs/dbraw/zinc/06/42/31/675064231.db2.gz WRJLVBWBNGDFJI-UHFFFAOYSA-N 1 0 366.508 2.014 20 10 FECDRO CC[C@H](CSC)[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000091098519 670718927 /nfs/dbraw/zinc/71/89/27/670718927.db2.gz HRWNIUFMWKOXNJ-MRXNPFEDSA-N 1 0 365.543 2.417 20 10 FECDRO CCO[C@@H](CC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702547 670813145 /nfs/dbraw/zinc/81/31/45/670813145.db2.gz CEDKDNJHXRTOAY-SFHVURJKSA-N 1 0 351.466 2.399 20 10 FECDRO CC[C@H](C)C[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000111254183 670856487 /nfs/dbraw/zinc/85/64/87/670856487.db2.gz SKPIGTIZJBGCHS-HNNXBMFYSA-N 1 0 351.466 2.256 20 10 FECDRO COC1CC[NH+](CCNC(=O)NCCCSc2nccs2)CC1 ZINC000154605722 672219200 /nfs/dbraw/zinc/21/92/00/672219200.db2.gz QAZWODMVTHQMEE-UHFFFAOYSA-N 1 0 358.533 2.035 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000185161310 672521580 /nfs/dbraw/zinc/52/15/80/672521580.db2.gz YQAVSKNMCLTZNQ-CQSZACIVSA-N 1 0 364.467 2.171 20 10 FECDRO C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+]1CC(C)(C)O ZINC000189318575 672613770 /nfs/dbraw/zinc/61/37/70/672613770.db2.gz VOVIMGNLEWGGMU-CYBMUJFWSA-N 1 0 372.560 2.112 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3snnc3C)cc2F)CC1 ZINC000190515830 672642827 /nfs/dbraw/zinc/64/28/27/672642827.db2.gz BZTFMJVRPPLFFN-UHFFFAOYSA-N 1 0 363.462 2.058 20 10 FECDRO CCCN(CCC)c1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000741260091 673678125 /nfs/dbraw/zinc/67/81/25/673678125.db2.gz DMIKOFKDLJIGNF-UHFFFAOYSA-N 1 0 368.543 2.342 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1O ZINC000818360753 675216290 /nfs/dbraw/zinc/21/62/90/675216290.db2.gz CFAPIJFMVPEPPQ-BXKDBHETSA-N 1 0 355.232 2.261 20 10 FECDRO COc1ccc(N2CC[C@H](CNC(=O)C[N@H+](C)[C@@H]3CCSC3)C2)cc1 ZINC000819586853 675302794 /nfs/dbraw/zinc/30/27/94/675302794.db2.gz VCCOGKHHTNKTPU-NVXWUHKLSA-N 1 0 363.527 2.075 20 10 FECDRO COC(=O)c1cnc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)s1 ZINC000822498198 675488786 /nfs/dbraw/zinc/48/87/86/675488786.db2.gz VXGOLODMYDYJQM-QMMMGPOBSA-N 1 0 367.383 2.403 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCN2CCCO)c1O ZINC000824563673 675610655 /nfs/dbraw/zinc/61/06/55/675610655.db2.gz AELIDZCBKXDVRU-HNNXBMFYSA-N 1 0 357.292 2.400 20 10 FECDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000827662614 675771486 /nfs/dbraw/zinc/77/14/86/675771486.db2.gz SNEJBJWZBKRYGM-APWZRJJASA-N 1 0 366.527 2.093 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000761237145 680716207 /nfs/dbraw/zinc/71/62/07/680716207.db2.gz GPRCQVPDWRFOSD-HNNXBMFYSA-N 1 0 363.845 2.294 20 10 FECDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840921504 680853630 /nfs/dbraw/zinc/85/36/30/680853630.db2.gz UMDYHHWNKQMUCK-UHFFFAOYSA-N 1 0 368.861 2.245 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 ZINC000832265844 680118828 /nfs/dbraw/zinc/11/88/28/680118828.db2.gz ADGZNWYXFIAFLB-GJZGRUSLSA-N 1 0 360.483 2.490 20 10 FECDRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841569637 680900047 /nfs/dbraw/zinc/90/00/47/680900047.db2.gz MWCMKZBTCQUCDR-MRXNPFEDSA-N 1 0 355.548 2.253 20 10 FECDRO CC(C)(C[NH3+])NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841780172 680911748 /nfs/dbraw/zinc/91/17/48/680911748.db2.gz GOCHDPVQBPGHCU-UHFFFAOYSA-N 1 0 356.417 2.293 20 10 FECDRO C[C@H](C[NH3+])CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782695 680912178 /nfs/dbraw/zinc/91/21/78/680912178.db2.gz QBGYQSBIDCVZCZ-GFCCVEGCSA-N 1 0 356.417 2.151 20 10 FECDRO CC(C)(C[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841844331 680914508 /nfs/dbraw/zinc/91/45/08/680914508.db2.gz XFEIXZXQVOOUTG-GFCCVEGCSA-N 1 0 356.417 2.293 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000842479139 680949445 /nfs/dbraw/zinc/94/94/45/680949445.db2.gz XJEXQYYYQGTUBI-HNNXBMFYSA-N 1 0 363.849 2.136 20 10 FECDRO O=C(Nc1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc1)C1=S=CC=C1 ZINC000842663764 680958223 /nfs/dbraw/zinc/95/82/23/680958223.db2.gz IYEFMNSRRXVYDZ-CYBMUJFWSA-N 1 0 354.435 2.420 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C[C@H]2CCCC2(F)F)cc1 ZINC000842785016 680966312 /nfs/dbraw/zinc/96/63/12/680966312.db2.gz KKJIFZKUYGTBES-HIFRSBDPSA-N 1 0 361.458 2.107 20 10 FECDRO COc1cccc(O)c1CN(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000769497677 680984920 /nfs/dbraw/zinc/98/49/20/680984920.db2.gz ADLYOKLLPLSNKQ-UHFFFAOYSA-N 1 0 364.467 2.120 20 10 FECDRO Cc1cc(O)c(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c(Cl)c1 ZINC000843118182 680988822 /nfs/dbraw/zinc/98/88/22/680988822.db2.gz BNHIRRVMRLAKDK-UHFFFAOYSA-N 1 0 361.877 2.428 20 10 FECDRO O=C(Nc1ccc(-c2nc(C3CC[NH2+]CC3)no2)cc1)C1=S=CC=C1 ZINC000843137320 680989445 /nfs/dbraw/zinc/98/94/45/680989445.db2.gz YTFAJDKSXJRSQR-UHFFFAOYSA-N 1 0 354.435 2.420 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000843428751 681003555 /nfs/dbraw/zinc/00/35/55/681003555.db2.gz MVJRYGBUUXCLHG-GFCCVEGCSA-N 1 0 370.291 2.015 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000845065966 681101560 /nfs/dbraw/zinc/10/15/60/681101560.db2.gz YCOCXXZGJRCHQP-RDJZCZTQSA-N 1 0 367.877 2.223 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000775373771 681302311 /nfs/dbraw/zinc/30/23/11/681302311.db2.gz WVXGUWYWEFLECQ-VHSXEESVSA-N 1 0 363.439 2.239 20 10 FECDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000776813276 681438260 /nfs/dbraw/zinc/43/82/60/681438260.db2.gz XHRQPKYPGZJVEY-ZFWWWQNUSA-N 1 0 360.248 2.065 20 10 FECDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000777219267 681473286 /nfs/dbraw/zinc/47/32/86/681473286.db2.gz IVMXEHMEYXAFEW-CABCVRRESA-N 1 0 374.275 2.373 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1O ZINC000934263221 681538200 /nfs/dbraw/zinc/53/82/00/681538200.db2.gz NLPNIFNBJPDYFA-IAGOWNOFSA-N 1 0 352.862 2.279 20 10 FECDRO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000851657537 682102046 /nfs/dbraw/zinc/10/20/46/682102046.db2.gz FDONNNKCUAABJV-STQMWFEESA-N 1 0 356.417 2.164 20 10 FECDRO CCOC(=O)CC1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCOCC1 ZINC000852727548 682327432 /nfs/dbraw/zinc/32/74/32/682327432.db2.gz NJCYHWYXZRNKOM-UHFFFAOYSA-N 1 0 353.390 2.326 20 10 FECDRO Cc1cc(C)c(O)c(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000853530730 682428667 /nfs/dbraw/zinc/42/86/67/682428667.db2.gz PWSOMJBFPRUEGL-STQMWFEESA-N 1 0 351.390 2.416 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H]3CC[C@@H](C1)S3)cc2=O ZINC000859544289 683125916 /nfs/dbraw/zinc/12/59/16/683125916.db2.gz SLSSMXXHLXAUTR-OLZOCXBDSA-N 1 0 362.455 2.082 20 10 FECDRO O=C(COCC(F)F)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000860242447 683221904 /nfs/dbraw/zinc/22/19/04/683221904.db2.gz RKBHZKCPNVMKSG-ZDUSSCGKSA-N 1 0 362.804 2.408 20 10 FECDRO COc1cccc(O)c1C[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000865776384 684027211 /nfs/dbraw/zinc/02/72/11/684027211.db2.gz UNAYTFRTKHYZIA-UHFFFAOYSA-N 1 0 350.459 2.297 20 10 FECDRO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(Br)cc1O ZINC000866521070 684115062 /nfs/dbraw/zinc/11/50/62/684115062.db2.gz KQVMLQSPOXOTEL-MEBBXXQBSA-N 1 0 371.231 2.027 20 10 FECDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000866579402 684122232 /nfs/dbraw/zinc/12/22/32/684122232.db2.gz UQRGWTDHEXWFLT-ZDUSSCGKSA-N 1 0 364.467 2.202 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC000866757368 684146164 /nfs/dbraw/zinc/14/61/64/684146164.db2.gz RNKJPEUQPCUIEH-LBPRGKRZSA-N 1 0 359.398 2.262 20 10 FECDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925055134 684520857 /nfs/dbraw/zinc/52/08/57/684520857.db2.gz LCPWFZXBLYWUCD-MOPGFXCFSA-N 1 0 366.527 2.072 20 10 FECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000925153688 684531066 /nfs/dbraw/zinc/53/10/66/684531066.db2.gz ZRRPFMVBDCTOHX-APHBMKBZSA-N 1 0 365.499 2.341 20 10 FECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)CC1(O)CCOCC1 ZINC000871975716 684900994 /nfs/dbraw/zinc/90/09/94/684900994.db2.gz YZWCQQLKIUEZBX-IBGZPJMESA-N 1 0 350.503 2.256 20 10 FECDRO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000872199729 684926559 /nfs/dbraw/zinc/92/65/59/684926559.db2.gz ASXKTVUXDGXBGZ-ZOBUZTSGSA-N 1 0 354.466 2.315 20 10 FECDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)C1 ZINC000877146295 686332106 /nfs/dbraw/zinc/33/21/06/686332106.db2.gz RGFBDMKLUMSGNU-AWEZNQCLSA-N 1 0 359.861 2.122 20 10 FECDRO COc1cc(Br)cc(C[NH+]2CCC3(CCNC3=O)CC2)c1O ZINC000877783285 686456834 /nfs/dbraw/zinc/45/68/34/686456834.db2.gz NIRGGPXPPAZVRP-UHFFFAOYSA-N 1 0 369.259 2.265 20 10 FECDRO Cn1c(Cl)ncc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325010 688232411 /nfs/dbraw/zinc/23/24/11/688232411.db2.gz PWCLFIWBNDAOBF-UHFFFAOYSA-N 1 0 361.877 2.065 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(C(F)F)n[nH]2)[NH+](C)C)cc1 ZINC000891247921 689039570 /nfs/dbraw/zinc/03/95/70/689039570.db2.gz LNHLTSBLZFHIFV-HNNXBMFYSA-N 1 0 351.401 2.446 20 10 FECDRO Cc1c(Cl)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1C ZINC000891250677 689040092 /nfs/dbraw/zinc/04/00/92/689040092.db2.gz YZJNYQGIFIJPFW-HNNXBMFYSA-N 1 0 363.893 2.481 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891368238 689054912 /nfs/dbraw/zinc/05/49/12/689054912.db2.gz ASXILBUSEGDANL-MJGOQNOKSA-N 1 0 360.527 2.324 20 10 FECDRO C[C@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)c1ccc(N(C)C)cc1 ZINC000891814404 689111657 /nfs/dbraw/zinc/11/16/57/689111657.db2.gz RVWUZISKZCJMNF-LBPRGKRZSA-N 1 0 359.499 2.497 20 10 FECDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(O)c1OC ZINC000891856361 689118124 /nfs/dbraw/zinc/11/81/24/689118124.db2.gz UDKSHPQQFBHSQM-AWEZNQCLSA-N 1 0 350.459 2.394 20 10 FECDRO COc1ccc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c(O)c1OC ZINC000892042793 689143825 /nfs/dbraw/zinc/14/38/25/689143825.db2.gz RVDFNZSJUTUGLF-LLVKDONJSA-N 1 0 362.348 2.004 20 10 FECDRO F[C@H]1CC2(CC[C@H]1[NH2+]Cc1ccc(N3CCOCC3)cc1)OCCO2 ZINC000892668909 689225894 /nfs/dbraw/zinc/22/58/94/689225894.db2.gz UEYUBGURFHNNET-ZWKOTPCHSA-N 1 0 350.434 2.247 20 10 FECDRO COC(=O)[C@H]1[C@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1(F)F ZINC000894216919 689488185 /nfs/dbraw/zinc/48/81/85/689488185.db2.gz WQCVUTOJYPIAGG-JKSUJKDBSA-N 1 0 354.397 2.308 20 10 FECDRO COc1cc(C)cc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1O ZINC000894377298 689521606 /nfs/dbraw/zinc/52/16/06/689521606.db2.gz ZCMURONYVMVXMZ-UHFFFAOYSA-N 1 0 370.515 2.249 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)NCCCOC(F)F)[NH+](C)C)cc1 ZINC000894658898 689574398 /nfs/dbraw/zinc/57/43/98/689574398.db2.gz PBURASKGPVPMKQ-HNNXBMFYSA-N 1 0 358.433 2.284 20 10 FECDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(OC)c(OC)cc1O)C(F)(F)F ZINC000895710831 689758788 /nfs/dbraw/zinc/75/87/88/689758788.db2.gz NWQRHLYVCQBYMR-IYKSTZQJSA-N 1 0 365.348 2.343 20 10 FECDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc(OC)c(OC)c1O)C(F)(F)F ZINC000895720554 689762047 /nfs/dbraw/zinc/76/20/47/689762047.db2.gz XYMRDMRUBFSSAV-KIUWMYQTSA-N 1 0 365.348 2.343 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000896609417 689905620 /nfs/dbraw/zinc/90/56/20/689905620.db2.gz NTGYNBVUGXFYLR-KBPBESRZSA-N 1 0 355.891 2.425 20 10 FECDRO C[NH+](C)[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCSC1 ZINC000896835910 689937279 /nfs/dbraw/zinc/93/72/79/689937279.db2.gz SMFXXNROUKZVCN-MRXNPFEDSA-N 1 0 352.481 2.480 20 10 FECDRO COC(=O)c1cc(C2C[NH+](Cc3c(O)cccc3Br)C2)[nH]n1 ZINC000898001918 690113824 /nfs/dbraw/zinc/11/38/24/690113824.db2.gz LJELCEWAENONJL-UHFFFAOYSA-N 1 0 366.215 2.264 20 10 FECDRO COc1cccc(O)c1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723604 690237757 /nfs/dbraw/zinc/23/77/57/690237757.db2.gz GRRWBNVVVRHSMK-JTQLQIEISA-N 1 0 352.232 2.464 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)CCO)[NH+](C)C)cc1 ZINC000899100507 690304367 /nfs/dbraw/zinc/30/43/67/690304367.db2.gz AJVAIQSBDLBAJG-KRWDZBQOSA-N 1 0 350.507 2.063 20 10 FECDRO CCN(C[C@@H](C)OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105516 690304886 /nfs/dbraw/zinc/30/48/86/690304886.db2.gz XTFHJHPLYVNGRQ-QAPCUYQASA-N 1 0 350.507 2.422 20 10 FECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000903235787 690873822 /nfs/dbraw/zinc/87/38/22/690873822.db2.gz VVDOEIPICCDSOL-KCQAQPDRSA-N 1 0 356.488 2.159 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCc2nnnn2C)c1O ZINC000903348451 690883791 /nfs/dbraw/zinc/88/37/91/690883791.db2.gz CQVKJPSPBSTVRE-JTQLQIEISA-N 1 0 354.252 2.270 20 10 FECDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)N(C)C)cc1 ZINC000903447856 690894799 /nfs/dbraw/zinc/89/47/99/690894799.db2.gz DMCUELQCAZEXMH-CEXWTWQISA-N 1 0 367.559 2.301 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)sn1 ZINC000908459756 691683653 /nfs/dbraw/zinc/68/36/53/691683653.db2.gz JNFOFYFMIGLWMQ-HNNXBMFYSA-N 1 0 368.528 2.099 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000800308814 674040038 /nfs/dbraw/zinc/04/00/38/674040038.db2.gz AWBBYPPSGRVUTF-SJLPKXTDSA-N 1 0 353.532 2.340 20 10 FECDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000800309883 674040460 /nfs/dbraw/zinc/04/04/60/674040460.db2.gz OUCFEQOWLXQDCN-HKUYNNGSSA-N 1 0 365.543 2.484 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(N2CCOCC2)cc1Cl ZINC000800498202 674057357 /nfs/dbraw/zinc/05/73/57/674057357.db2.gz FBRXETJBFCUJEM-OLZOCXBDSA-N 1 0 357.857 2.301 20 10 FECDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1OCC(=O)N(C)C ZINC000054175236 540572940 /nfs/dbraw/zinc/57/29/40/540572940.db2.gz CHRBGWKRYLQNSI-UHFFFAOYSA-N 1 0 370.449 2.387 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081765543 542676464 /nfs/dbraw/zinc/67/64/64/542676464.db2.gz SCJILXMLBMUXOX-CTNGQTDRSA-N 1 0 371.525 2.386 20 10 FECDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000091069925 542793245 /nfs/dbraw/zinc/79/32/45/542793245.db2.gz XTQFJEXZFDWCPT-UHFFFAOYSA-N 1 0 362.451 2.162 20 10 FECDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000093017478 542903213 /nfs/dbraw/zinc/90/32/13/542903213.db2.gz GRXPAKJEKCKPMT-FQEVSTJZSA-N 1 0 359.514 2.067 20 10 FECDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000122189692 543704447 /nfs/dbraw/zinc/70/44/47/543704447.db2.gz LJQRTNHYNVYOOH-KRWDZBQOSA-N 1 0 374.506 2.475 20 10 FECDRO CN(C)c1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1F ZINC000129289758 544103818 /nfs/dbraw/zinc/10/38/18/544103818.db2.gz MZFXYPMFAHPVGA-UHFFFAOYSA-N 1 0 362.493 2.022 20 10 FECDRO O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1C[C@@H]1c1cccnc1 ZINC000131353010 544186767 /nfs/dbraw/zinc/18/67/67/544186767.db2.gz MEUQZOCNFZUCLL-IAGOWNOFSA-N 1 0 354.429 2.050 20 10 FECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc[nH]c(=O)c1 ZINC000134260614 544300517 /nfs/dbraw/zinc/30/05/17/544300517.db2.gz LTGWEHJYXBAZPH-HNNXBMFYSA-N 1 0 361.829 2.128 20 10 FECDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000156543121 545635273 /nfs/dbraw/zinc/63/52/73/545635273.db2.gz BBWRLTIYLFTLSH-APWZRJJASA-N 1 0 355.486 2.148 20 10 FECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000157061948 545695297 /nfs/dbraw/zinc/69/52/97/545695297.db2.gz OBJMFLXRSMBXTC-NSHDSACASA-N 1 0 361.364 2.381 20 10 FECDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000160557870 546051562 /nfs/dbraw/zinc/05/15/62/546051562.db2.gz HRODTCOHRUMOLX-BBRMVZONSA-N 1 0 359.449 2.228 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000165487650 546153705 /nfs/dbraw/zinc/15/37/05/546153705.db2.gz VPQPBHHVETUTBX-AWEZNQCLSA-N 1 0 371.403 2.158 20 10 FECDRO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000177071082 546539045 /nfs/dbraw/zinc/53/90/45/546539045.db2.gz XZFZZLIGSSMNID-ZBBZLKSMSA-N 1 0 355.482 2.278 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1OC ZINC000180280089 547078880 /nfs/dbraw/zinc/07/88/80/547078880.db2.gz BLTAIKQIZAMHDY-SFHVURJKSA-N 1 0 361.442 2.089 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182899337 547569908 /nfs/dbraw/zinc/56/99/08/547569908.db2.gz IFRLWLVTLYUWBZ-IBGZPJMESA-N 1 0 369.465 2.300 20 10 FECDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(=O)N1CCOCC1 ZINC000185665488 548017384 /nfs/dbraw/zinc/01/73/84/548017384.db2.gz FFUFVJCIFRRVAR-SMDDNHRTSA-N 1 0 371.275 2.443 20 10 FECDRO COc1cc(N2CC[NH+](C[C@H]3CC[C@H](C)O3)CC2)cc(OC)c1OC ZINC000191106044 548340059 /nfs/dbraw/zinc/34/00/59/548340059.db2.gz GZLOBXYHGLXVAM-GOEBONIOSA-N 1 0 350.459 2.402 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3CCC(O)CC3)cc2F)CC1 ZINC000194275132 548459120 /nfs/dbraw/zinc/45/91/20/548459120.db2.gz MOVJYDNVLDWFIP-UHFFFAOYSA-N 1 0 363.477 2.135 20 10 FECDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000263799132 549938772 /nfs/dbraw/zinc/93/87/72/549938772.db2.gz LMPFRLRZVFGMKH-GFCCVEGCSA-N 1 0 350.415 2.468 20 10 FECDRO CC[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+](CC)CC ZINC000265603447 550012042 /nfs/dbraw/zinc/01/20/42/550012042.db2.gz MUZKLZCBCCBIOT-QGZVFWFLSA-N 1 0 351.466 2.399 20 10 FECDRO Cc1nc([C@H]2CCCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000268417455 550062032 /nfs/dbraw/zinc/06/20/32/550062032.db2.gz CATHCSXJPBODGU-KRWDZBQOSA-N 1 0 370.501 2.017 20 10 FECDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269230459 550169937 /nfs/dbraw/zinc/16/99/37/550169937.db2.gz CSAHJMSTQJRFOB-OAQYLSRUSA-N 1 0 367.493 2.082 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)cc2F)C[C@@H](C)O1 ZINC000270309096 550260734 /nfs/dbraw/zinc/26/07/34/550260734.db2.gz DZYJOKZLFLJSJT-BZUAXINKSA-N 1 0 363.477 2.445 20 10 FECDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCN1c1nccn2cnnc12 ZINC000271302112 550362888 /nfs/dbraw/zinc/36/28/88/550362888.db2.gz UMNKDMHZBDXVNG-GFCCVEGCSA-N 1 0 358.833 2.194 20 10 FECDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000272029726 550417723 /nfs/dbraw/zinc/41/77/23/550417723.db2.gz UCAMWMNHNLOZBO-UHFFFAOYSA-N 1 0 371.522 2.432 20 10 FECDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272326964 550437717 /nfs/dbraw/zinc/43/77/17/550437717.db2.gz MDPRPWUEQBDAOG-ZENOOKHLSA-N 1 0 369.506 2.136 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)CCn3cccn3)CC2)cc1 ZINC000272352934 550439851 /nfs/dbraw/zinc/43/98/51/550439851.db2.gz DHHUJHXURFAYBQ-SFHVURJKSA-N 1 0 357.502 2.082 20 10 FECDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000273263127 550492189 /nfs/dbraw/zinc/49/21/89/550492189.db2.gz TZOPQULHVXYKNU-CQSZACIVSA-N 1 0 351.466 2.445 20 10 FECDRO CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273374678 550496216 /nfs/dbraw/zinc/49/62/16/550496216.db2.gz GXMGKOVWXJXUED-OAHLLOKOSA-N 1 0 350.463 2.369 20 10 FECDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623178 550505933 /nfs/dbraw/zinc/50/59/33/550505933.db2.gz ZSTPJJILSCSZLC-SMDDNHRTSA-N 1 0 370.291 2.145 20 10 FECDRO CC(=O)N1CCN(c2ccc(CNc3ncnc4[nH]ccc43)cc2)CC1 ZINC000276382156 550578170 /nfs/dbraw/zinc/57/81/70/550578170.db2.gz ZFMUMGBIJQGHPF-UHFFFAOYSA-N 1 0 350.426 2.239 20 10 FECDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000278394738 550780792 /nfs/dbraw/zinc/78/07/92/550780792.db2.gz GCOMGPFAPPBBIR-ASFAAARLSA-N 1 0 352.450 2.243 20 10 FECDRO CCn1cc(CC[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cn1 ZINC000284879506 551657063 /nfs/dbraw/zinc/65/70/63/551657063.db2.gz FGQHLPRPFFNKKF-UHFFFAOYSA-N 1 0 374.485 2.294 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1 ZINC000284999966 551686812 /nfs/dbraw/zinc/68/68/12/551686812.db2.gz TZCQSSNTQJLFDB-UHFFFAOYSA-N 1 0 355.486 2.124 20 10 FECDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000289271970 552293167 /nfs/dbraw/zinc/29/31/67/552293167.db2.gz GKXMTTJKMGAEBU-IUODEOHRSA-N 1 0 355.276 2.450 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+][C@@H]3C)cc2F)C[C@@H](C)O1 ZINC000289905696 552396969 /nfs/dbraw/zinc/39/69/69/552396969.db2.gz NDZAADJUHUEZLD-KCYZZUKISA-N 1 0 363.477 2.444 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+][C@@H]3C)cc2F)C[C@H](C)O1 ZINC000289905691 552397263 /nfs/dbraw/zinc/39/72/63/552397263.db2.gz NDZAADJUHUEZLD-JYYAWHABSA-N 1 0 363.477 2.444 20 10 FECDRO C[C@@H](CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000290283533 552453682 /nfs/dbraw/zinc/45/36/82/552453682.db2.gz BAWVDOFCJGSQPX-KRWDZBQOSA-N 1 0 374.529 2.092 20 10 FECDRO COc1ccc(N2CCN(CCNC(=O)c3ncoc3C3CC3)CC2)cc1 ZINC000293173433 552795905 /nfs/dbraw/zinc/79/59/05/552795905.db2.gz GQZNPPZVPHJKAO-UHFFFAOYSA-N 1 0 370.453 2.113 20 10 FECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c(O)c1 ZINC000294652584 552923875 /nfs/dbraw/zinc/92/38/75/552923875.db2.gz GUPCUVNYBPVWRL-CVEARBPZSA-N 1 0 370.515 2.148 20 10 FECDRO C[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000296417497 553156735 /nfs/dbraw/zinc/15/67/35/553156735.db2.gz LEIROULWIMUALB-APWZRJJASA-N 1 0 366.527 2.267 20 10 FECDRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O ZINC000527957087 562309549 /nfs/dbraw/zinc/30/95/49/562309549.db2.gz RSLSQSJXQFIKNJ-SCLBCKFNSA-N 1 0 354.878 2.312 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890338 554893685 /nfs/dbraw/zinc/89/36/85/554893685.db2.gz XXOKMCOSGLIHBW-JQHSSLGASA-N 1 0 363.477 2.176 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000361644563 554927610 /nfs/dbraw/zinc/92/76/10/554927610.db2.gz OHPWNUCPFFCLGN-QGZVFWFLSA-N 1 0 353.470 2.038 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000363786992 555186291 /nfs/dbraw/zinc/18/62/91/555186291.db2.gz SRZIERGMALGGLI-FUHWJXTLSA-N 1 0 355.486 2.186 20 10 FECDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)nn1 ZINC000363910285 555211816 /nfs/dbraw/zinc/21/18/16/555211816.db2.gz UYINFAILUHSLNQ-ZDUSSCGKSA-N 1 0 350.806 2.179 20 10 FECDRO Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3cc(Cl)ccc3O)C2=O)n1 ZINC000363971226 555224454 /nfs/dbraw/zinc/22/44/54/555224454.db2.gz HKQZGJZIVVEUIQ-MRXNPFEDSA-N 1 0 360.845 2.425 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000367701445 556118072 /nfs/dbraw/zinc/11/80/72/556118072.db2.gz KUZQKGVTMHYPIB-CYBMUJFWSA-N 1 0 371.437 2.499 20 10 FECDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2O1 ZINC000368033018 556199499 /nfs/dbraw/zinc/19/94/99/556199499.db2.gz BJKFCLNEEVOFNY-HQPKTYMTSA-N 1 0 354.406 2.467 20 10 FECDRO O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368619622 556365282 /nfs/dbraw/zinc/36/52/82/556365282.db2.gz QPYNJMGCDNCRRS-STQMWFEESA-N 1 0 374.268 2.361 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369050584 556489349 /nfs/dbraw/zinc/48/93/49/556489349.db2.gz IVVISHZWPMGLJX-OALUTQOASA-N 1 0 360.502 2.147 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000369423512 556597062 /nfs/dbraw/zinc/59/70/62/556597062.db2.gz GJIDAJFVKWTTPZ-HNAYVOBHSA-N 1 0 371.485 2.350 20 10 FECDRO C[NH+](C)CCNC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000371258301 557121475 /nfs/dbraw/zinc/12/14/75/557121475.db2.gz NAHFLWKTANMTIR-CYBMUJFWSA-N 1 0 374.407 2.272 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc1F ZINC000371763205 557286940 /nfs/dbraw/zinc/28/69/40/557286940.db2.gz VZJGLNHXESICLP-MRXNPFEDSA-N 1 0 359.449 2.301 20 10 FECDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000372030839 557361900 /nfs/dbraw/zinc/36/19/00/557361900.db2.gz KGDGXDFOMFLHIU-CYBMUJFWSA-N 1 0 350.806 2.261 20 10 FECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372312991 557437061 /nfs/dbraw/zinc/43/70/61/557437061.db2.gz GGPAUZYKXQICAK-HXUWFJFHSA-N 1 0 356.514 2.025 20 10 FECDRO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C)n1-c1ccccn1 ZINC000372581338 557511892 /nfs/dbraw/zinc/51/18/92/557511892.db2.gz FTGYJRFKVQGVCP-RBUKOAKNSA-N 1 0 368.481 2.160 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000373189979 557647029 /nfs/dbraw/zinc/64/70/29/557647029.db2.gz KEDJEOUEWVQKRB-PXAZEXFGSA-N 1 0 351.834 2.164 20 10 FECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1=CCOCC1 ZINC000373534863 557712760 /nfs/dbraw/zinc/71/27/60/557712760.db2.gz DXVDCHIEUATLFY-MRXNPFEDSA-N 1 0 350.846 2.473 20 10 FECDRO COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(Br)ccc1O ZINC000374896067 557947519 /nfs/dbraw/zinc/94/75/19/557947519.db2.gz KMPNVFULJMETIK-CHWSQXEVSA-N 1 0 358.232 2.307 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)CC2)cc1 ZINC000375267155 558001401 /nfs/dbraw/zinc/00/14/01/558001401.db2.gz OTAXGMBFQOHAMQ-APWZRJJASA-N 1 0 350.503 2.412 20 10 FECDRO NC(=O)[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1C(F)(F)F ZINC000375409934 558022689 /nfs/dbraw/zinc/02/26/89/558022689.db2.gz BNKOPAVVYWEETP-NXEZZACHSA-N 1 0 367.165 2.250 20 10 FECDRO O=C(Cc1ccccc1)N1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000376727967 558214017 /nfs/dbraw/zinc/21/40/17/558214017.db2.gz HSLKOLVQWZIEHY-INIZCTEOSA-N 1 0 354.406 2.054 20 10 FECDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513578 558354756 /nfs/dbraw/zinc/35/47/56/558354756.db2.gz UQBNRBCXFPCXRV-IRXDYDNUSA-N 1 0 354.454 2.082 20 10 FECDRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000377941361 558449102 /nfs/dbraw/zinc/44/91/02/558449102.db2.gz ADMAKSFINBZFPF-UHFFFAOYSA-N 1 0 350.484 2.058 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000378450687 558560411 /nfs/dbraw/zinc/56/04/11/558560411.db2.gz CLHJBLUVMCKIJS-HNNXBMFYSA-N 1 0 358.442 2.415 20 10 FECDRO CC(C)NC(=O)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435606660 559926117 /nfs/dbraw/zinc/92/61/17/559926117.db2.gz JPBZTHWOGATOMR-UHFFFAOYSA-N 1 0 370.497 2.049 20 10 FECDRO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000809785281 674509866 /nfs/dbraw/zinc/50/98/66/674509866.db2.gz UVHFKLXXSBAAMO-GFCCVEGCSA-N 1 0 358.891 2.339 20 10 FECDRO CN(CCC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC[NH+](C)C ZINC000809788887 674510277 /nfs/dbraw/zinc/51/02/77/674510277.db2.gz XEJKAAJLOGZAOC-UHFFFAOYSA-N 1 0 358.870 2.269 20 10 FECDRO CC[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810210601 674537083 /nfs/dbraw/zinc/53/70/83/674537083.db2.gz ZMHOWLKEWFEJHA-LBPRGKRZSA-N 1 0 354.394 2.391 20 10 FECDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826291803 608502929 /nfs/dbraw/zinc/50/29/29/608502929.db2.gz WOFZOOVMGZEGDO-UHFFFAOYSA-N 1 0 364.453 2.199 20 10 FECDRO Cc1cc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)ccc1N(C)C ZINC000815112647 674920859 /nfs/dbraw/zinc/92/08/59/674920859.db2.gz WURBEHMDJKLSLG-UHFFFAOYSA-N 1 0 351.516 2.061 20 10 FECDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C(C)C ZINC000815143315 674923637 /nfs/dbraw/zinc/92/36/37/674923637.db2.gz HDYDVEVYCXYZFJ-ZDUSSCGKSA-N 1 0 359.264 2.414 20 10 FECDRO O=C(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])NCC[NH+]1CCCCCC1 ZINC000816620230 675069010 /nfs/dbraw/zinc/06/90/10/675069010.db2.gz MWIWSTKGHUWRCV-UHFFFAOYSA-N 1 0 357.857 2.267 20 10 FECDRO CC(C)CC[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000052246338 670310546 /nfs/dbraw/zinc/31/05/46/670310546.db2.gz LCAQKAHGFPKPSQ-UHFFFAOYSA-N 1 0 351.466 2.256 20 10 FECDRO Cc1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000121803205 671957527 /nfs/dbraw/zinc/95/75/27/671957527.db2.gz DNYNJEIDIGOXIL-UHFFFAOYSA-N 1 0 354.516 2.465 20 10 FECDRO C[C@@H]1C[N@@H+](CCCNC(=O)NCCCSc2nccs2)C[C@H](C)O1 ZINC000151944798 672172447 /nfs/dbraw/zinc/17/24/47/672172447.db2.gz JDVFJBQSHBRYFG-OKILXGFUSA-N 1 0 372.560 2.424 20 10 FECDRO O=C(NCCCSc1nccs1)N1CC[NH+](C2CCOCC2)CC1 ZINC000154557195 672218175 /nfs/dbraw/zinc/21/81/75/672218175.db2.gz PARIBXOFSMQSAR-UHFFFAOYSA-N 1 0 370.544 2.132 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(SC)CC3)cc2F)CC1 ZINC000191557866 672670591 /nfs/dbraw/zinc/67/05/91/672670591.db2.gz WEDJTVYCBOHETH-UHFFFAOYSA-N 1 0 351.491 2.479 20 10 FECDRO COc1cccc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000310650992 673025050 /nfs/dbraw/zinc/02/50/50/673025050.db2.gz ULRUCSSXOBMQTP-AWEZNQCLSA-N 1 0 352.431 2.126 20 10 FECDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1cccc(Br)c1O ZINC000822457813 675486108 /nfs/dbraw/zinc/48/61/08/675486108.db2.gz DCNBSIYATNNSCA-UHFFFAOYSA-N 1 0 371.275 2.129 20 10 FECDRO COc1cccc(C[NH2+]CCn2cc(Br)ccc2=O)c1O ZINC000824543359 675609499 /nfs/dbraw/zinc/60/94/99/675609499.db2.gz ICWYYDGDDDPFPQ-UHFFFAOYSA-N 1 0 353.216 2.115 20 10 FECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000824679180 675616225 /nfs/dbraw/zinc/61/62/25/675616225.db2.gz XZGAKYQQJFKFDO-LBPRGKRZSA-N 1 0 367.437 2.189 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c1O ZINC000824708956 675617350 /nfs/dbraw/zinc/61/73/50/675617350.db2.gz LOOGCLAVQGDDLO-YGRLFVJLSA-N 1 0 360.248 2.304 20 10 FECDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825885454 675672787 /nfs/dbraw/zinc/67/27/87/675672787.db2.gz GRCNAXRJIWDXOR-SWLSCSKDSA-N 1 0 355.276 2.450 20 10 FECDRO CSCC[C@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)N(C)C ZINC000825940295 675675181 /nfs/dbraw/zinc/67/51/81/675675181.db2.gz RYGXYHBYFZPSSM-LBPRGKRZSA-N 1 0 361.305 2.454 20 10 FECDRO [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665333 677053384 /nfs/dbraw/zinc/05/33/84/677053384.db2.gz UNLIRPWCCSHWCD-ZWNOBZJWSA-N 1 0 363.355 2.356 20 10 FECDRO C[C@H](C1=CC[N@H+](C)CC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762314655 680747329 /nfs/dbraw/zinc/74/73/29/680747329.db2.gz DKKFRPPSARFMGI-GFCCVEGCSA-N 1 0 363.845 2.460 20 10 FECDRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289650 680838314 /nfs/dbraw/zinc/83/83/14/680838314.db2.gz COJPMULBZBPGIO-WBVHZDCISA-N 1 0 367.921 2.284 20 10 FECDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000765514466 680844681 /nfs/dbraw/zinc/84/46/81/680844681.db2.gz LUKJVXSAPLFUML-GFCCVEGCSA-N 1 0 356.264 2.438 20 10 FECDRO CC[C@@H]([NH2+]C1(C(=O)NCCOC)CC1)c1cc(Br)ccc1O ZINC000840821048 680844707 /nfs/dbraw/zinc/84/47/07/680844707.db2.gz AYZRRUKWOQPRII-CYBMUJFWSA-N 1 0 371.275 2.491 20 10 FECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000765794521 680855440 /nfs/dbraw/zinc/85/54/40/680855440.db2.gz CYSNMKKQWLNHPI-NWDGAFQWSA-N 1 0 357.248 2.168 20 10 FECDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977355 680861960 /nfs/dbraw/zinc/86/19/60/680861960.db2.gz GLHHCWHDHIXSHF-KRWDZBQOSA-N 1 0 354.516 2.216 20 10 FECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000835025421 680286919 /nfs/dbraw/zinc/28/69/19/680286919.db2.gz UOQUFSVORIPAHE-UKINESCASA-N 1 0 351.516 2.027 20 10 FECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000835054146 680291298 /nfs/dbraw/zinc/29/12/98/680291298.db2.gz NRKZFOATXVEOJH-MTGFJVSHSA-N 1 0 363.527 2.266 20 10 FECDRO CC1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC[NH2+]CC1 ZINC000841707309 680908380 /nfs/dbraw/zinc/90/83/80/680908380.db2.gz PUUIVZKYPNALBM-UHFFFAOYSA-N 1 0 362.543 2.429 20 10 FECDRO C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843944 680914516 /nfs/dbraw/zinc/91/45/16/680914516.db2.gz QCYHILPKDFFOQT-QWHCGFSZSA-N 1 0 356.417 2.151 20 10 FECDRO C[C@H]1CCCN(c2ccc(CNC(=O)N(CC[NH3+])CCO)cc2Cl)C1 ZINC000841895846 680916937 /nfs/dbraw/zinc/91/69/37/680916937.db2.gz GQTSUNHSSNPZLY-AWEZNQCLSA-N 1 0 368.909 2.039 20 10 FECDRO COc1ccc(N2CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC2)cc1F ZINC000841996199 680920703 /nfs/dbraw/zinc/92/07/03/680920703.db2.gz RQFMLRHSLITEHF-AWEZNQCLSA-N 1 0 352.454 2.183 20 10 FECDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1cc(Br)ccc1O ZINC000842003683 680921033 /nfs/dbraw/zinc/92/10/33/680921033.db2.gz JKPNWDWOIZETRX-CYBMUJFWSA-N 1 0 356.264 2.486 20 10 FECDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000842643795 680956748 /nfs/dbraw/zinc/95/67/48/680956748.db2.gz OXWFNCYRCBSSDO-MRXNPFEDSA-N 1 0 353.344 2.441 20 10 FECDRO CCOc1cccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000842722325 680962111 /nfs/dbraw/zinc/96/21/11/680962111.db2.gz PFPDLBMTUOTSFA-AWEZNQCLSA-N 1 0 363.435 2.115 20 10 FECDRO Cc1cc(F)cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842783832 680966152 /nfs/dbraw/zinc/96/61/52/680966152.db2.gz DFEMBVYVARAQCZ-QGZVFWFLSA-N 1 0 351.447 2.178 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000842785809 680966474 /nfs/dbraw/zinc/96/64/74/680966474.db2.gz KYRJARKCQXWKIX-IBGZPJMESA-N 1 0 359.495 2.220 20 10 FECDRO Cc1nonc1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000845833697 681155870 /nfs/dbraw/zinc/15/58/70/681155870.db2.gz MOKUWOKWIQBIBP-CQSZACIVSA-N 1 0 364.833 2.060 20 10 FECDRO COc1cccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000846155442 681191109 /nfs/dbraw/zinc/19/11/09/681191109.db2.gz XCZJYQHPABITST-LBPRGKRZSA-N 1 0 354.472 2.008 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)c1 ZINC000775365556 681300933 /nfs/dbraw/zinc/30/09/33/681300933.db2.gz WJHFCQLAONVCHR-LLVKDONJSA-N 1 0 354.428 2.095 20 10 FECDRO COc1cccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1O ZINC000847589117 681400260 /nfs/dbraw/zinc/40/02/60/681400260.db2.gz FZMANBXLZDRXIT-HNNXBMFYSA-N 1 0 350.484 2.235 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1O ZINC000848528725 681572071 /nfs/dbraw/zinc/57/20/71/681572071.db2.gz NSTRKAOBKKRUFR-MWLCHTKSSA-N 1 0 357.248 2.435 20 10 FECDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(Br)cc1O ZINC000848563992 681579691 /nfs/dbraw/zinc/57/96/91/681579691.db2.gz GJTPIUBOROMIRC-ONGXEEELSA-N 1 0 351.248 2.491 20 10 FECDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850073189 681846681 /nfs/dbraw/zinc/84/66/81/681846681.db2.gz XNGDCPYNSZLLSR-VBNZEHGJSA-N 1 0 350.434 2.074 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852638876 682312356 /nfs/dbraw/zinc/31/23/56/682312356.db2.gz PUGQPNVVZJATMH-OAHLLOKOSA-N 1 0 353.850 2.098 20 10 FECDRO C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)cc(F)c1[O-] ZINC000854231806 682526899 /nfs/dbraw/zinc/52/68/99/682526899.db2.gz IUHKJGBDOZKGDB-ZETCQYMHSA-N 1 0 371.210 2.099 20 10 FECDRO CN(C)c1ccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1F ZINC000788613067 682542782 /nfs/dbraw/zinc/54/27/82/682542782.db2.gz WGACJPXXKTYXNF-UHFFFAOYSA-N 1 0 365.474 2.432 20 10 FECDRO O=C(NCC[N@H+]1CC=CCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000792864091 682844739 /nfs/dbraw/zinc/84/47/39/682844739.db2.gz AYBFDRDUHJNDJQ-UHFFFAOYSA-N 1 0 360.527 2.301 20 10 FECDRO CC[N@H+](CCNC(=O)NCc1ccc(OC)cc1O)CCC(F)(F)F ZINC000793188805 682870534 /nfs/dbraw/zinc/87/05/34/682870534.db2.gz HYZVLDSCEMTULX-UHFFFAOYSA-N 1 0 363.380 2.474 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1 ZINC000794462523 682971136 /nfs/dbraw/zinc/97/11/36/682971136.db2.gz REAVNLRLYQUVLK-OLZOCXBDSA-N 1 0 354.447 2.327 20 10 FECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000797095686 683222106 /nfs/dbraw/zinc/22/21/06/683222106.db2.gz FMHDUNUZQQKKQY-DYEKYZERSA-N 1 0 356.463 2.483 20 10 FECDRO Oc1cccc(Br)c1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000862238690 683556290 /nfs/dbraw/zinc/55/62/90/683556290.db2.gz FRUBQSDLEOFVTJ-GOEBONIOSA-N 1 0 355.276 2.186 20 10 FECDRO OCC[NH+](CCO)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000862429843 683591051 /nfs/dbraw/zinc/59/10/51/683591051.db2.gz KYBCEKPGXNEGFA-UHFFFAOYSA-N 1 0 357.292 2.226 20 10 FECDRO CO[C@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCS(=O)(=O)C1 ZINC000922613997 683753694 /nfs/dbraw/zinc/75/36/94/683753694.db2.gz ANQOPOSVPAZIJH-IBGZPJMESA-N 1 0 361.463 2.353 20 10 FECDRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922689173 683767375 /nfs/dbraw/zinc/76/73/75/683767375.db2.gz PDNMLTAPWIQZLS-UHFFFAOYSA-N 1 0 363.435 2.247 20 10 FECDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000865739652 684021347 /nfs/dbraw/zinc/02/13/47/684021347.db2.gz YMAWQAHHSBBPMR-MLGOLLRUSA-N 1 0 357.292 2.271 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]CCc2ccc(S(=O)(=O)NC)cc2)c1 ZINC000865819607 684033292 /nfs/dbraw/zinc/03/32/92/684033292.db2.gz XLHKDGJHQXRRBL-UHFFFAOYSA-N 1 0 364.467 2.031 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCS(=O)(=O)CC3)CC2)cc1 ZINC000873035087 685055700 /nfs/dbraw/zinc/05/57/00/685055700.db2.gz FECDYICEKMSJKQ-OAHLLOKOSA-N 1 0 352.500 2.221 20 10 FECDRO O=C1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCN1 ZINC000873049333 685059197 /nfs/dbraw/zinc/05/91/97/685059197.db2.gz GBQQRFVQNFLEGX-JKSUJKDBSA-N 1 0 351.878 2.268 20 10 FECDRO CC(C)[N@H+](Cc1ccc(S(N)(=O)=O)o1)Cc1ccc(N(C)C)cc1 ZINC000876584894 686224604 /nfs/dbraw/zinc/22/46/04/686224604.db2.gz RWEJJALFBSIQIX-UHFFFAOYSA-N 1 0 351.472 2.404 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000876698276 686246415 /nfs/dbraw/zinc/24/64/15/686246415.db2.gz GYTAGLUTQONGFC-CZUORRHYSA-N 1 0 371.275 2.270 20 10 FECDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876732190 686255983 /nfs/dbraw/zinc/25/59/83/686255983.db2.gz YKJASFDVRAYOOV-QGZVFWFLSA-N 1 0 351.466 2.167 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876878857 686286032 /nfs/dbraw/zinc/28/60/32/686286032.db2.gz CFCISEMQIMQGAS-LVDDQXARSA-N 1 0 366.845 2.103 20 10 FECDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(F)(F)F ZINC000877693748 686438184 /nfs/dbraw/zinc/43/81/84/686438184.db2.gz PMBPYXKBMWHTMA-UONOGXRCSA-N 1 0 362.367 2.265 20 10 FECDRO Cc1ccc(C[NH2+]Cc2c(I)cnn2C)c(O)c1 ZINC000877773951 686451817 /nfs/dbraw/zinc/45/18/17/686451817.db2.gz DDDUVKXQYCJOBJ-UHFFFAOYSA-N 1 0 357.195 2.329 20 10 FECDRO COc1ccc(N2CCC([NH2+]CC[C@@H]3CCCS3(=O)=O)CC2)cc1 ZINC000883297266 687602005 /nfs/dbraw/zinc/60/20/05/687602005.db2.gz KQBDPMVMRTYXAQ-SFHVURJKSA-N 1 0 352.500 2.221 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1O ZINC000883403502 687622517 /nfs/dbraw/zinc/62/25/17/687622517.db2.gz VEHFQVZRVVTXMA-CYBMUJFWSA-N 1 0 369.259 2.264 20 10 FECDRO COCCC1(NC(=O)NCCCSc2nccs2)CC[NH2+]CC1 ZINC000891674598 689090800 /nfs/dbraw/zinc/09/08/00/689090800.db2.gz OAAISHQWNWUDST-UHFFFAOYSA-N 1 0 358.533 2.083 20 10 FECDRO COc1ccc(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c(O)c1OC ZINC000892488553 689202870 /nfs/dbraw/zinc/20/28/70/689202870.db2.gz PNFPHFBKAUXGSE-ZIAGYGMSSA-N 1 0 352.475 2.387 20 10 FECDRO F[C@@H]1CC2(CC[C@@H]1[NH2+]Cc1ccc(N3CCOCC3)cc1)OCCO2 ZINC000892668906 689225918 /nfs/dbraw/zinc/22/59/18/689225918.db2.gz UEYUBGURFHNNET-MSOLQXFVSA-N 1 0 350.434 2.247 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000892836598 689250397 /nfs/dbraw/zinc/25/03/97/689250397.db2.gz NRBZAPSYFYEQSU-UHFFFAOYSA-N 1 0 367.877 2.490 20 10 FECDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000893316314 689330892 /nfs/dbraw/zinc/33/08/92/689330892.db2.gz CCXYGHZBPGYGPJ-UHFFFAOYSA-N 1 0 365.451 2.493 20 10 FECDRO C[C@@H]1CSCCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896445699 689875292 /nfs/dbraw/zinc/87/52/92/689875292.db2.gz XOGAPKSKAMJRAH-MRXNPFEDSA-N 1 0 362.543 2.475 20 10 FECDRO COc1cc(Cl)cc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c1O ZINC000896690661 689917222 /nfs/dbraw/zinc/91/72/22/689917222.db2.gz RAGMZNYWDHZULM-UHFFFAOYSA-N 1 0 357.834 2.192 20 10 FECDRO O[C@@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(O)CCC1 ZINC000905133022 691072248 /nfs/dbraw/zinc/07/22/48/691072248.db2.gz DVOJPKNLFMGKNA-BBRMVZONSA-N 1 0 356.413 2.122 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1OC ZINC000905700052 691164676 /nfs/dbraw/zinc/16/46/76/691164676.db2.gz DGJWBUMCHZIRJR-SCLBCKFNSA-N 1 0 350.415 2.120 20 10 FECDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000066203300 541290319 /nfs/dbraw/zinc/29/03/19/541290319.db2.gz BIAUNKRRKUMHTE-KRWDZBQOSA-N 1 0 362.518 2.395 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072719192 541857101 /nfs/dbraw/zinc/85/71/01/541857101.db2.gz BTAAOYRQVGDIGT-LJQANCHMSA-N 1 0 358.530 2.177 20 10 FECDRO C[C@@H]1CN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C[C@H](C)O1 ZINC000072952800 541895644 /nfs/dbraw/zinc/89/56/44/541895644.db2.gz VXCYUQRZGXACIV-JZXOWHBKSA-N 1 0 362.470 2.009 20 10 FECDRO C[C@@H]1CN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000072952802 541895667 /nfs/dbraw/zinc/89/56/67/541895667.db2.gz VXCYUQRZGXACIV-NUJGCVRESA-N 1 0 362.470 2.009 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c(O)c1 ZINC000091898176 542831373 /nfs/dbraw/zinc/83/13/73/542831373.db2.gz JZFGHNDSEWCRKG-INIZCTEOSA-N 1 0 356.488 2.083 20 10 FECDRO CCCOc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000091963952 542834243 /nfs/dbraw/zinc/83/42/43/542834243.db2.gz SCLLXPMSCGQEDB-UHFFFAOYSA-N 1 0 356.488 2.037 20 10 FECDRO CCC[N@H+](Cc1cnc(N2CCN(C)CC2)nc1)Cc1ccccc1O ZINC000092705013 542882486 /nfs/dbraw/zinc/88/24/86/542882486.db2.gz SQBSLNFNVBRGCZ-UHFFFAOYSA-N 1 0 355.486 2.346 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 ZINC000092759659 542885445 /nfs/dbraw/zinc/88/54/45/542885445.db2.gz RXZFWPAEHSHDHF-UHFFFAOYSA-N 1 0 372.469 2.166 20 10 FECDRO c1cnc(N2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000093056512 542906049 /nfs/dbraw/zinc/90/60/49/542906049.db2.gz IZGOIIFDIVLEBX-UHFFFAOYSA-N 1 0 353.470 2.026 20 10 FECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134096 542910674 /nfs/dbraw/zinc/91/06/74/542910674.db2.gz UMXLBTXESUBOKG-GOSISDBHSA-N 1 0 367.497 2.441 20 10 FECDRO CCCOc1ccc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)c(O)c1 ZINC000093321111 542926073 /nfs/dbraw/zinc/92/60/73/542926073.db2.gz WBAGUDQTNYQMPV-UHFFFAOYSA-N 1 0 370.515 2.427 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000108377798 543288102 /nfs/dbraw/zinc/28/81/02/543288102.db2.gz PCXTURHZHUMDMI-FQEVSTJZSA-N 1 0 358.530 2.319 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000114750592 543534929 /nfs/dbraw/zinc/53/49/29/543534929.db2.gz YLLLQIHNPVWQNC-BBRMVZONSA-N 1 0 371.403 2.337 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000114750593 543535013 /nfs/dbraw/zinc/53/50/13/543535013.db2.gz YLLLQIHNPVWQNC-CJNGLKHVSA-N 1 0 371.403 2.337 20 10 FECDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)cc1F ZINC000120078883 543675541 /nfs/dbraw/zinc/67/55/41/543675541.db2.gz IYFHIFSTESNMBY-UHFFFAOYSA-N 1 0 363.477 2.399 20 10 FECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCN1c1cccnn1 ZINC000120376903 543679493 /nfs/dbraw/zinc/67/94/93/543679493.db2.gz MNZDZEQXMGJIAC-HXUWFJFHSA-N 1 0 367.497 2.414 20 10 FECDRO CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)c(O)c1 ZINC000124652710 543834667 /nfs/dbraw/zinc/83/46/67/543834667.db2.gz LKSPAXHTDLJGQT-UHFFFAOYSA-N 1 0 370.453 2.365 20 10 FECDRO CC1CCN(c2ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000126117929 543919101 /nfs/dbraw/zinc/91/91/01/543919101.db2.gz JMBAZTBOFHHVHS-FQEVSTJZSA-N 1 0 362.518 2.035 20 10 FECDRO COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)c3ccncc3)CC2)cc1 ZINC000127497670 543997111 /nfs/dbraw/zinc/99/71/11/543997111.db2.gz DLJJDRNMMZGQAC-QGZVFWFLSA-N 1 0 368.481 2.432 20 10 FECDRO O=C(CN1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1)N1CCCC1 ZINC000129308571 544104309 /nfs/dbraw/zinc/10/43/09/544104309.db2.gz QENKVYLFKQXKJD-UHFFFAOYSA-N 1 0 351.878 2.176 20 10 FECDRO CN1CCCc2cc(CNC(=O)N3CCC([N@H+](C)CCCO)CC3)ccc21 ZINC000154293398 544887000 /nfs/dbraw/zinc/88/70/00/544887000.db2.gz HIOJWKZGKLTFLT-UHFFFAOYSA-N 1 0 374.529 2.057 20 10 FECDRO C[N@H+](CC(=O)NCc1cc(Br)ccc1O)[C@H]1CCSC1 ZINC000804737428 674299423 /nfs/dbraw/zinc/29/94/23/674299423.db2.gz QUVYJZZQSQYRSV-LBPRGKRZSA-N 1 0 359.289 2.208 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000179859691 547022031 /nfs/dbraw/zinc/02/20/31/547022031.db2.gz ACYXHKRKNQRQQJ-INMHGKMJSA-N 1 0 364.486 2.483 20 10 FECDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000180608857 547141108 /nfs/dbraw/zinc/14/11/08/547141108.db2.gz WSHZNNDNOBCRPS-WBVHZDCISA-N 1 0 355.486 2.343 20 10 FECDRO O=S(=O)(N1CCC(C[NH2+]Cc2cc(F)ccc2O)CC1)C(F)(F)F ZINC000180708417 547163117 /nfs/dbraw/zinc/16/31/17/547163117.db2.gz CUEZZJLFPBPXCX-UHFFFAOYSA-N 1 0 370.368 2.183 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483323179 561274168 /nfs/dbraw/zinc/27/41/68/561274168.db2.gz KEPDOUAYPXSEIT-JKSUJKDBSA-N 1 0 370.497 2.092 20 10 FECDRO COc1cc(Cl)cc(CN2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC000184675059 547863353 /nfs/dbraw/zinc/86/33/53/547863353.db2.gz NKCHWUWFGDBJQN-UHFFFAOYSA-N 1 0 353.894 2.268 20 10 FECDRO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1O)N1CCOCC1 ZINC000184977968 547911361 /nfs/dbraw/zinc/91/13/61/547911361.db2.gz ZAUTZYNPHDEEJO-GOSISDBHSA-N 1 0 358.413 2.091 20 10 FECDRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(Br)cc1O ZINC000185002971 547914999 /nfs/dbraw/zinc/91/49/99/547914999.db2.gz BCRWYYBRFIWHSA-JTQLQIEISA-N 1 0 357.248 2.087 20 10 FECDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(F)ccc1O ZINC000185686040 548020174 /nfs/dbraw/zinc/02/01/74/548020174.db2.gz VHWIFJDTKPYROI-VIFPVBQESA-N 1 0 370.368 2.496 20 10 FECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(C(N)=O)c3)c2)CC1 ZINC000187400378 548257851 /nfs/dbraw/zinc/25/78/51/548257851.db2.gz QEJAHTLNJVLYSH-UHFFFAOYSA-N 1 0 352.438 2.180 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)cc1OC ZINC000191907987 548352848 /nfs/dbraw/zinc/35/28/48/548352848.db2.gz QLJFCPLMYFTCQY-UHFFFAOYSA-N 1 0 362.430 2.238 20 10 FECDRO CCOC1CC(C[NH2+][C@@H](C)c2cc(F)ccc2O)(N2CCOCC2)C1 ZINC000193404180 548386702 /nfs/dbraw/zinc/38/67/02/548386702.db2.gz GHSNFRWZJZLWBT-ASFAAARLSA-N 1 0 352.450 2.452 20 10 FECDRO C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]C1 ZINC000237589916 548836822 /nfs/dbraw/zinc/83/68/22/548836822.db2.gz CEWZIPMWYXXRID-ACJLOTCBSA-N 1 0 353.413 2.373 20 10 FECDRO COCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000265734153 550013557 /nfs/dbraw/zinc/01/35/57/550013557.db2.gz LGFZSKTWHZEBRU-KRWDZBQOSA-N 1 0 360.502 2.147 20 10 FECDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000265849411 550014939 /nfs/dbraw/zinc/01/49/39/550014939.db2.gz HXGBSUNIMAXKGV-HOTGVXAUSA-N 1 0 370.490 2.108 20 10 FECDRO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000266344739 550019476 /nfs/dbraw/zinc/01/94/76/550019476.db2.gz ZXUIFKOFERNBSE-JRMCHAMMSA-N 1 0 357.498 2.479 20 10 FECDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165381 550037005 /nfs/dbraw/zinc/03/70/05/550037005.db2.gz PMNWRBWZVQYLPU-JXFKEZNVSA-N 1 0 372.513 2.147 20 10 FECDRO CCCOc1ccc(C[N@H+](C)C[C@H](O)COCCOC(C)C)c(O)c1 ZINC000271162403 550347033 /nfs/dbraw/zinc/34/70/33/550347033.db2.gz YAWMTUHPVXJRMW-KRWDZBQOSA-N 1 0 355.475 2.415 20 10 FECDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000272296237 550435733 /nfs/dbraw/zinc/43/57/33/550435733.db2.gz GCAAFABUJVIRKH-LWGWVAHUSA-N 1 0 351.466 2.429 20 10 FECDRO CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273374675 550496250 /nfs/dbraw/zinc/49/62/50/550496250.db2.gz GXMGKOVWXJXUED-HNNXBMFYSA-N 1 0 350.463 2.369 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1OC ZINC000275483867 550572698 /nfs/dbraw/zinc/57/26/98/550572698.db2.gz INYMTMACWZSKPW-LIRRHRJNSA-N 1 0 361.442 2.380 20 10 FECDRO COC(=O)C[C@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccncc1 ZINC000276472013 550578879 /nfs/dbraw/zinc/57/88/79/550578879.db2.gz MYNIHKVWNBESMO-IBGZPJMESA-N 1 0 360.410 2.373 20 10 FECDRO Cc1ccc([C@@H]([NH3+])C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000280539723 551005474 /nfs/dbraw/zinc/00/54/74/551005474.db2.gz HWSMHEWTPNIORO-HXUWFJFHSA-N 1 0 353.466 2.490 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000283263090 551338222 /nfs/dbraw/zinc/33/82/22/551338222.db2.gz ATPVMNWTXUTLDC-UHFFFAOYSA-N 1 0 374.529 2.138 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284350590 551530249 /nfs/dbraw/zinc/53/02/49/551530249.db2.gz QBWDIEHJGRLYBN-MSOLQXFVSA-N 1 0 373.497 2.264 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c(O)c1 ZINC000285521201 551769171 /nfs/dbraw/zinc/76/91/71/551769171.db2.gz OKIOWUXGHGOXDC-IBGZPJMESA-N 1 0 360.458 2.447 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287069260 551959522 /nfs/dbraw/zinc/95/95/22/551959522.db2.gz HETNQSZFOUTVLM-SJORKVTESA-N 1 0 361.486 2.120 20 10 FECDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287093424 551962486 /nfs/dbraw/zinc/96/24/86/551962486.db2.gz YSZSDUKRMPTKTB-FXAWDEMLSA-N 1 0 372.513 2.291 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1O ZINC000290095644 552426467 /nfs/dbraw/zinc/42/64/67/552426467.db2.gz HRPOQOCCVPSPOR-SNVBAGLBSA-N 1 0 365.293 2.005 20 10 FECDRO Oc1ccccc1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1CCCO1 ZINC000293013114 552780355 /nfs/dbraw/zinc/78/03/55/552780355.db2.gz UPMXMQBXOURLDM-LSDHHAIUSA-N 1 0 363.376 2.313 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1OC ZINC000293579991 552837409 /nfs/dbraw/zinc/83/74/09/552837409.db2.gz HQTDPNDXPATCFI-QGZVFWFLSA-N 1 0 370.449 2.343 20 10 FECDRO CCn1nc(C)c(CNCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)n1 ZINC000295253735 552976301 /nfs/dbraw/zinc/97/63/01/552976301.db2.gz UKNPENWWHAXTFK-UHFFFAOYSA-N 1 0 360.481 2.177 20 10 FECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000296622592 553189020 /nfs/dbraw/zinc/18/90/20/553189020.db2.gz WZNZSDGIQLUBFZ-MWLCHTKSSA-N 1 0 365.293 2.133 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3cn[nH]c(=O)c3Cl)cc2F)CC1 ZINC000301185167 553629723 /nfs/dbraw/zinc/62/97/23/553629723.db2.gz JOXGEFXOCUOXTN-UHFFFAOYSA-N 1 0 365.840 2.316 20 10 FECDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000360021365 554859678 /nfs/dbraw/zinc/85/96/78/554859678.db2.gz NMAVXQAGHSMTFZ-UWJYYQICSA-N 1 0 370.497 2.487 20 10 FECDRO Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2=O)n1 ZINC000363960213 555222520 /nfs/dbraw/zinc/22/25/20/555222520.db2.gz GCELMOQWBOJILV-GOSISDBHSA-N 1 0 352.438 2.001 20 10 FECDRO COc1ccc(N2CCC(N(C)S(=O)(=O)N3CCC[C@H]3C)CC2)cc1 ZINC000364220461 555272654 /nfs/dbraw/zinc/27/26/54/555272654.db2.gz UQOUJPMLEIAPOE-OAHLLOKOSA-N 1 0 367.515 2.325 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@]34CCOC4)cc2F)CC1 ZINC000368136823 556227282 /nfs/dbraw/zinc/22/72/82/556227282.db2.gz YFTRNSAEDYEBJM-UZLBHIALSA-N 1 0 361.461 2.010 20 10 FECDRO COC(=O)CCn1nc(C)c(C[NH2+]Cc2ccc3c(c2)CCN3C)c1C ZINC000369807998 556700752 /nfs/dbraw/zinc/70/07/52/556700752.db2.gz GPGSBDYIJKOJIT-UHFFFAOYSA-N 1 0 356.470 2.345 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)c1O ZINC000370170978 556801036 /nfs/dbraw/zinc/80/10/36/556801036.db2.gz WMMAJDIMTVUOOB-UHFFFAOYSA-N 1 0 372.400 2.375 20 10 FECDRO C[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cc2c(cc1O)CCCC2 ZINC000370376073 556854127 /nfs/dbraw/zinc/85/41/27/556854127.db2.gz ZLVDMRAHNCKMHU-ZDUSSCGKSA-N 1 0 356.474 2.114 20 10 FECDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000370669667 556935827 /nfs/dbraw/zinc/93/58/27/556935827.db2.gz PCLFRSFETFMHHQ-UHFFFAOYSA-N 1 0 372.557 2.173 20 10 FECDRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Cl)cc1O ZINC000527946474 562309121 /nfs/dbraw/zinc/30/91/21/562309121.db2.gz DSSZUXGZICWNCF-UGSOOPFHSA-N 1 0 354.878 2.312 20 10 FECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1 ZINC000372713609 557544662 /nfs/dbraw/zinc/54/46/62/557544662.db2.gz JQRUXBWBTHHUDH-AWEZNQCLSA-N 1 0 370.453 2.168 20 10 FECDRO O=CN1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000372959101 557597093 /nfs/dbraw/zinc/59/70/93/557597093.db2.gz VKYBQJRMTKEYAP-HNNXBMFYSA-N 1 0 353.413 2.467 20 10 FECDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000373259127 557660669 /nfs/dbraw/zinc/66/06/69/557660669.db2.gz HVPZWUYVSIPWOX-MRXNPFEDSA-N 1 0 372.513 2.074 20 10 FECDRO OC[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOc2ccccc21 ZINC000374137221 557830022 /nfs/dbraw/zinc/83/00/22/557830022.db2.gz SPYCZGCCRJDMAU-NRFANRHFSA-N 1 0 354.450 2.283 20 10 FECDRO COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Br)ccc1O ZINC000374896073 557947610 /nfs/dbraw/zinc/94/76/10/557947610.db2.gz KMPNVFULJMETIK-STQMWFEESA-N 1 0 358.232 2.307 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c(O)c1 ZINC000376748488 558216509 /nfs/dbraw/zinc/21/65/09/558216509.db2.gz BDXJRROVCCHMKQ-UHFFFAOYSA-N 1 0 368.499 2.181 20 10 FECDRO Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c1O ZINC000378439474 558557603 /nfs/dbraw/zinc/55/76/03/558557603.db2.gz QBSGPPKGGUIFQS-UHFFFAOYSA-N 1 0 362.861 2.482 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccoc3)CC2)cc1OC ZINC000378442198 558558058 /nfs/dbraw/zinc/55/80/58/558558058.db2.gz JDEIZCICRMNJIE-UHFFFAOYSA-N 1 0 360.410 2.351 20 10 FECDRO CC[NH+]1CCN(CCC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)CC1 ZINC000378546996 558580417 /nfs/dbraw/zinc/58/04/17/558580417.db2.gz XHXSJLUXRYZHPX-UHFFFAOYSA-N 1 0 356.514 2.006 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737270106 599490882 /nfs/dbraw/zinc/49/08/82/599490882.db2.gz IYHNJKHHQIELEF-UHFFFAOYSA-N 1 0 362.441 2.179 20 10 FECDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cccc(OC)c2O)CC1 ZINC000809784299 674509948 /nfs/dbraw/zinc/50/99/48/674509948.db2.gz FCQOJGOAMMZRML-CQSZACIVSA-N 1 0 370.515 2.283 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000134065437 672119059 /nfs/dbraw/zinc/11/90/59/672119059.db2.gz NGHUKCUSPGVLET-CXAGYDPISA-N 1 0 351.878 2.496 20 10 FECDRO Oc1ccc(Br)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000139743546 672147162 /nfs/dbraw/zinc/14/71/62/672147162.db2.gz LYOQBDGKVRWBJV-OAHLLOKOSA-N 1 0 355.276 2.451 20 10 FECDRO CC[NH+](CC)CCSCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000174023010 672357349 /nfs/dbraw/zinc/35/73/49/672357349.db2.gz PJPOYOFBHGMBHQ-UHFFFAOYSA-N 1 0 365.543 2.419 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)C2)cc1 ZINC000818343015 675215645 /nfs/dbraw/zinc/21/56/45/675215645.db2.gz XXDXGTKJZPBQMA-MNEFBYGVSA-N 1 0 366.527 2.467 20 10 FECDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F ZINC000819121194 675262601 /nfs/dbraw/zinc/26/26/01/675262601.db2.gz ITRRLGSKTFCOJE-OAHLLOKOSA-N 1 0 350.356 2.190 20 10 FECDRO Oc1cc(Br)ccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000824708961 675617642 /nfs/dbraw/zinc/61/76/42/675617642.db2.gz IXJHPXBUIUSVCW-GJZGRUSLSA-N 1 0 355.276 2.186 20 10 FECDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H](C)[NH3+] ZINC000827365711 675751189 /nfs/dbraw/zinc/75/11/89/675751189.db2.gz VRMSJAKFCJPMLA-FZKQIMNGSA-N 1 0 351.466 2.022 20 10 FECDRO COC(=O)NC1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000827935379 675787617 /nfs/dbraw/zinc/78/76/17/675787617.db2.gz YEHHKTPBJCSVIW-UHFFFAOYSA-N 1 0 373.247 2.484 20 10 FECDRO [NH3+][C@@H](CC(F)F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358880 675815245 /nfs/dbraw/zinc/81/52/45/675815245.db2.gz OEWIXTKJOADHCY-ZDUSSCGKSA-N 1 0 363.355 2.356 20 10 FECDRO C[C@H]1C[N@H+](CCCNC(=O)NCCCSc2nccs2)CCCO1 ZINC000764460646 680810178 /nfs/dbraw/zinc/81/01/78/680810178.db2.gz FNBAHCSZTOHDEM-AWEZNQCLSA-N 1 0 372.560 2.425 20 10 FECDRO Cc1cc(O)c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1 ZINC000840905189 680851803 /nfs/dbraw/zinc/85/18/03/680851803.db2.gz ORBQSPJNKKBVDH-UHFFFAOYSA-N 1 0 358.891 2.400 20 10 FECDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000840937473 680855121 /nfs/dbraw/zinc/85/51/21/680855121.db2.gz UOTSCPLLARJYJP-UHFFFAOYSA-N 1 0 367.540 2.499 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)CC1 ZINC000765980943 680862218 /nfs/dbraw/zinc/86/22/18/680862218.db2.gz VCJYKUIKLOAKFF-UHFFFAOYSA-N 1 0 356.491 2.178 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2csc([C@H]3CCCO3)n2)cc1 ZINC000832267714 680118868 /nfs/dbraw/zinc/11/88/68/680118868.db2.gz ZNHRIJWQXZCQGZ-GDBMZVCRSA-N 1 0 360.483 2.490 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000835044150 680290529 /nfs/dbraw/zinc/29/05/29/680290529.db2.gz XEGUWHTUTMQPDX-ONEGZZNKSA-N 1 0 363.527 2.312 20 10 FECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000835054154 680291522 /nfs/dbraw/zinc/29/15/22/680291522.db2.gz NRKZFOATXVEOJH-ORUDLHBZSA-N 1 0 363.527 2.266 20 10 FECDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000754725830 680373618 /nfs/dbraw/zinc/37/36/18/680373618.db2.gz BBFREFOQOPOCSJ-OAHLLOKOSA-N 1 0 370.515 2.212 20 10 FECDRO COc1cccc(O)c1C[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000755221172 680405838 /nfs/dbraw/zinc/40/58/38/680405838.db2.gz VOJQPXJKXGXYMD-UHFFFAOYSA-N 1 0 356.488 2.083 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(Br)cc1O ZINC000756640931 680490213 /nfs/dbraw/zinc/49/02/13/680490213.db2.gz RFIJVAUZMLHMJL-SECBINFHSA-N 1 0 350.216 2.499 20 10 FECDRO COc1ccc(N2CCCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)cc1 ZINC000758002320 680549217 /nfs/dbraw/zinc/54/92/17/680549217.db2.gz GESOMFNVHJMVLM-QGZVFWFLSA-N 1 0 363.527 2.171 20 10 FECDRO C[NH2+]CCN(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782715 680912181 /nfs/dbraw/zinc/91/21/81/680912181.db2.gz QYYLMDMLTAJQTQ-UHFFFAOYSA-N 1 0 356.417 2.118 20 10 FECDRO CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843622 680914522 /nfs/dbraw/zinc/91/45/22/680914522.db2.gz KSYXTVFAFCQRRF-OLZOCXBDSA-N 1 0 356.417 2.293 20 10 FECDRO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843561 680914532 /nfs/dbraw/zinc/91/45/32/680914532.db2.gz JGCXMYQUQRNIRT-QWHCGFSZSA-N 1 0 356.417 2.293 20 10 FECDRO Fc1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)ccc1N1CCOCC1 ZINC000769307026 680977294 /nfs/dbraw/zinc/97/72/94/680977294.db2.gz YVAJYXNGMPMILJ-MRXNPFEDSA-N 1 0 350.434 2.247 20 10 FECDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843065817 680985492 /nfs/dbraw/zinc/98/54/92/680985492.db2.gz QIRMILOGHBSKCV-HXUWFJFHSA-N 1 0 350.503 2.161 20 10 FECDRO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000843124475 680988991 /nfs/dbraw/zinc/98/89/91/680988991.db2.gz BELSVRKUAIXPTH-ZBFHGGJFSA-N 1 0 355.276 2.483 20 10 FECDRO CN(C)c1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000843124739 680989004 /nfs/dbraw/zinc/98/90/04/680989004.db2.gz MFEWPSOVMSZHRV-MRXNPFEDSA-N 1 0 356.436 2.251 20 10 FECDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000845936214 681163282 /nfs/dbraw/zinc/16/32/82/681163282.db2.gz JASGBWIAJMUOOD-QGZVFWFLSA-N 1 0 368.543 2.462 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2nscc2Br)cc1 ZINC000846663782 681273558 /nfs/dbraw/zinc/27/35/58/681273558.db2.gz OGWTZXBJYWBDEZ-LBPRGKRZSA-N 1 0 369.288 2.401 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC(=O)NCc2cccs2)c1 ZINC000775370350 681301574 /nfs/dbraw/zinc/30/15/74/681301574.db2.gz LTFCQTOZRIJHRN-LLVKDONJSA-N 1 0 363.439 2.139 20 10 FECDRO Cc1cc(Br)cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1O ZINC000775676549 681323400 /nfs/dbraw/zinc/32/34/00/681323400.db2.gz TWQHFXADVCYTIV-JKSUJKDBSA-N 1 0 369.303 2.494 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c1O ZINC000848549759 681576332 /nfs/dbraw/zinc/57/63/32/681576332.db2.gz SWIBFYGLFVQREY-AMJWSMQMSA-N 1 0 360.248 2.354 20 10 FECDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000850322799 681885569 /nfs/dbraw/zinc/88/55/69/681885569.db2.gz IJSZVFLYBBXYJI-KWCYVHTRSA-N 1 0 354.397 2.089 20 10 FECDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850355692 681890399 /nfs/dbraw/zinc/89/03/99/681890399.db2.gz KGJHKLDGUUSXLW-DXMSMQRWSA-N 1 0 354.491 2.442 20 10 FECDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000782776318 682081572 /nfs/dbraw/zinc/08/15/72/682081572.db2.gz BDYKFOLRBGCDFW-RDTXWAMCSA-N 1 0 352.450 2.100 20 10 FECDRO CC(C)[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917025815 685529132 /nfs/dbraw/zinc/52/91/32/685529132.db2.gz PXAPVHJSAFNJIG-OAHLLOKOSA-N 1 0 351.466 2.255 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1O ZINC000858472340 682971352 /nfs/dbraw/zinc/97/13/52/682971352.db2.gz YFCKWRKQAOKTOH-BIMULSAOSA-N 1 0 360.248 2.354 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000926943303 683187441 /nfs/dbraw/zinc/18/74/41/683187441.db2.gz BZFHZRVIAOIULD-YBKUAAOGSA-N 1 0 350.434 2.117 20 10 FECDRO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000927006048 683197655 /nfs/dbraw/zinc/19/76/55/683197655.db2.gz SCWDJYIQWNVSJW-CQSZACIVSA-N 1 0 350.434 2.466 20 10 FECDRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000927026845 683199654 /nfs/dbraw/zinc/19/96/54/683199654.db2.gz RCPHOYCZRARBDL-SJLPKXTDSA-N 1 0 363.479 2.061 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)CCCSC)CC2)cc1 ZINC000799199174 683435424 /nfs/dbraw/zinc/43/54/24/683435424.db2.gz RUUUTKXTGBNZOE-UHFFFAOYSA-N 1 0 351.516 2.029 20 10 FECDRO CC(C)O[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000922611323 683753932 /nfs/dbraw/zinc/75/39/32/683753932.db2.gz ATVIZOCDKRQCPY-LJQANCHMSA-N 1 0 352.450 2.336 20 10 FECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000865404254 683979543 /nfs/dbraw/zinc/97/95/43/683979543.db2.gz GRKNLYOPDSZYQF-UHFFFAOYSA-N 1 0 353.875 2.343 20 10 FECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1F ZINC000865437161 683982818 /nfs/dbraw/zinc/98/28/18/683982818.db2.gz BKEOQEASAVJLKU-UHFFFAOYSA-N 1 0 371.865 2.482 20 10 FECDRO CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCC[NH+](C)C ZINC000866428668 684102775 /nfs/dbraw/zinc/10/27/75/684102775.db2.gz DLYJSMDTYJXNOD-UHFFFAOYSA-N 1 0 353.532 2.390 20 10 FECDRO CC[C@H]([NH2+]CCCS(=O)(=O)NC)c1cc(Br)ccc1O ZINC000866457951 684107241 /nfs/dbraw/zinc/10/72/41/684107241.db2.gz WSQBHRRZMKUHNE-LBPRGKRZSA-N 1 0 365.293 2.135 20 10 FECDRO C[C@H]([NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1O ZINC000931553312 684301980 /nfs/dbraw/zinc/30/19/80/684301980.db2.gz BKUADNSIGKQSIV-BBRMVZONSA-N 1 0 370.515 2.044 20 10 FECDRO CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000872203163 684927160 /nfs/dbraw/zinc/92/71/60/684927160.db2.gz BRAYSNGWGZVTLK-HIFRSBDPSA-N 1 0 358.429 2.368 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876699416 686246628 /nfs/dbraw/zinc/24/66/28/686246628.db2.gz YJYPLHAYWZSFGM-HZMBPMFUSA-N 1 0 359.239 2.451 20 10 FECDRO CO[C@@]1(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCOC1 ZINC000876947037 686299737 /nfs/dbraw/zinc/29/97/37/686299737.db2.gz YXGIPSHQBHCUTB-ZRGWGRIASA-N 1 0 352.450 2.334 20 10 FECDRO CCNC(=O)COc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882904598 687526434 /nfs/dbraw/zinc/52/64/34/687526434.db2.gz DXJSPBGKYVASAH-UHFFFAOYSA-N 1 0 350.365 2.475 20 10 FECDRO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000883306354 687605712 /nfs/dbraw/zinc/60/57/12/687605712.db2.gz TZNFKFQCVXRFKU-ZBFHGGJFSA-N 1 0 370.490 2.280 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)CSc2nncs2)[NH+](C)C)cc1 ZINC000891256290 689040794 /nfs/dbraw/zinc/04/07/94/689040794.db2.gz XCVHJQKUKIQGDF-AWEZNQCLSA-N 1 0 365.528 2.115 20 10 FECDRO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891913168 689125975 /nfs/dbraw/zinc/12/59/75/689125975.db2.gz RGEMHEBMKDGZCV-UHFFFAOYSA-N 1 0 352.431 2.462 20 10 FECDRO COC(=O)[C@H]1[C@@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893910909 689427512 /nfs/dbraw/zinc/42/75/12/689427512.db2.gz QDAGRRJTPATOMD-HZPDHXFCSA-N 1 0 354.397 2.009 20 10 FECDRO COc1cc(C)cc(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c1O ZINC000894183742 689482117 /nfs/dbraw/zinc/48/21/17/689482117.db2.gz JOJOJJMFEFPXCW-UHFFFAOYSA-N 1 0 350.440 2.371 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000894509274 689545009 /nfs/dbraw/zinc/54/50/09/689545009.db2.gz BBFNLYGSLKOIHB-YOEHRIQHSA-N 1 0 350.532 2.408 20 10 FECDRO COc1cc(C)cc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1O ZINC000894558801 689555061 /nfs/dbraw/zinc/55/50/61/689555061.db2.gz KMBMCGVHYINWEK-UHFFFAOYSA-N 1 0 370.515 2.392 20 10 FECDRO C[NH+](C)CCOC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896334378 689856822 /nfs/dbraw/zinc/85/68/22/689856822.db2.gz MLRRKIGJYIUXEQ-UHFFFAOYSA-N 1 0 364.467 2.495 20 10 FECDRO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000896979497 689957912 /nfs/dbraw/zinc/95/79/12/689957912.db2.gz YGIBLHMFQJPHBH-GOSISDBHSA-N 1 0 354.422 2.383 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)cc1OC ZINC000897000328 689960810 /nfs/dbraw/zinc/96/08/10/689960810.db2.gz WIULSZNPDVMHPV-GFCCVEGCSA-N 1 0 354.403 2.050 20 10 FECDRO COc1cc(Br)cc(C[NH2+]Cc2cnc3n2CCOC3)c1O ZINC000898271232 690152146 /nfs/dbraw/zinc/15/21/46/690152146.db2.gz VYWCUPCZHCNFCQ-UHFFFAOYSA-N 1 0 368.231 2.180 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000898367644 690167704 /nfs/dbraw/zinc/16/77/04/690167704.db2.gz GFCPHESRGNKSNU-GHMZBOCLSA-N 1 0 364.833 2.479 20 10 FECDRO CC(C)[C@@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100991 690304455 /nfs/dbraw/zinc/30/44/55/690304455.db2.gz GBAVLYFBHTUHPP-HKUYNNGSSA-N 1 0 350.507 2.062 20 10 FECDRO C[C@H]1CN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C[C@H](C)O1 ZINC000072952801 541895758 /nfs/dbraw/zinc/89/57/58/541895758.db2.gz VXCYUQRZGXACIV-BQFCYCMXSA-N 1 0 362.470 2.009 20 10 FECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801511147 674132721 /nfs/dbraw/zinc/13/27/21/674132721.db2.gz PRNGQIJUOKZSGA-QGZVFWFLSA-N 1 0 353.532 2.245 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081557850 542664798 /nfs/dbraw/zinc/66/47/98/542664798.db2.gz YATGWNDOJMLZEL-SJORKVTESA-N 1 0 361.461 2.153 20 10 FECDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090057292 542781647 /nfs/dbraw/zinc/78/16/47/542781647.db2.gz SYQOFZIIVZJYEU-IFXJQAMLSA-N 1 0 352.450 2.100 20 10 FECDRO c1[nH]nc2ncnc(NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)c12 ZINC000091675826 542819537 /nfs/dbraw/zinc/81/95/37/542819537.db2.gz UQCYQOXZRMDLSP-UHFFFAOYSA-N 1 0 363.469 2.497 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103320564 543103816 /nfs/dbraw/zinc/10/38/16/543103816.db2.gz OKOIRZFNHOYWCR-UHFFFAOYSA-N 1 0 374.529 2.397 20 10 FECDRO C[C@@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[N@H+](C)C1CC1 ZINC000105162971 543162716 /nfs/dbraw/zinc/16/27/16/543162716.db2.gz GGMNXVXOVVRHSB-INIZCTEOSA-N 1 0 374.529 2.177 20 10 FECDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000111475927 543403071 /nfs/dbraw/zinc/40/30/71/543403071.db2.gz IXXBESFFGZXICA-IBGZPJMESA-N 1 0 360.502 2.197 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)c1 ZINC000802658932 674190609 /nfs/dbraw/zinc/19/06/09/674190609.db2.gz UVFPMXCIVWHEEF-AWEZNQCLSA-N 1 0 364.467 2.248 20 10 FECDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2N1 ZINC000161934439 546135442 /nfs/dbraw/zinc/13/54/42/546135442.db2.gz RGSJBMXEOBVJER-DOMZBBRYSA-N 1 0 372.425 2.379 20 10 FECDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000162404846 546138503 /nfs/dbraw/zinc/13/85/03/546138503.db2.gz DXWRHRLVXCOHTP-QAPCUYQASA-N 1 0 363.477 2.447 20 10 FECDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000178833840 546857665 /nfs/dbraw/zinc/85/76/65/546857665.db2.gz RPHHMDUCSDYBSG-KGLIPLIRSA-N 1 0 353.413 2.373 20 10 FECDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000178833851 546858460 /nfs/dbraw/zinc/85/84/60/546858460.db2.gz RPHHMDUCSDYBSG-ZIAGYGMSSA-N 1 0 353.413 2.373 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1OC ZINC000180070782 547047438 /nfs/dbraw/zinc/04/74/38/547047438.db2.gz VBMNGOPJGSURRH-CYBMUJFWSA-N 1 0 358.442 2.327 20 10 FECDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC000180706823 547163607 /nfs/dbraw/zinc/16/36/07/547163607.db2.gz RUJDLOSTWJVUKP-BFOUZKJOSA-N 1 0 360.454 2.211 20 10 FECDRO COc1cc(N2CC[NH+](C[C@@H]3CCCCO3)CC2)cc(OC)c1OC ZINC000183702250 547704814 /nfs/dbraw/zinc/70/48/14/547704814.db2.gz AGJDNOIAYKMOGA-INIZCTEOSA-N 1 0 350.459 2.404 20 10 FECDRO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000194931822 548553668 /nfs/dbraw/zinc/55/36/68/548553668.db2.gz CBXIOZUWXJJHQL-QGZVFWFLSA-N 1 0 371.485 2.352 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000237222151 548810374 /nfs/dbraw/zinc/81/03/74/548810374.db2.gz NCHQVDLVLPCJNR-NRFANRHFSA-N 1 0 353.466 2.356 20 10 FECDRO O=C(CCC1CC[NH2+]CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000238154204 548880652 /nfs/dbraw/zinc/88/06/52/548880652.db2.gz DJVWMFNIIBWIKT-UHFFFAOYSA-N 1 0 363.477 2.183 20 10 FECDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(O)c1O ZINC000248414082 549432507 /nfs/dbraw/zinc/43/25/07/549432507.db2.gz MEWCJXNUXLFJOP-PBHICJAKSA-N 1 0 355.438 2.442 20 10 FECDRO C[NH+](C)C/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000265662690 550013373 /nfs/dbraw/zinc/01/33/73/550013373.db2.gz RDNHTDCPTKIGCV-ONEGZZNKSA-N 1 0 371.403 2.276 20 10 FECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165402 550037083 /nfs/dbraw/zinc/03/70/83/550037083.db2.gz PMNWRBWZVQYLPU-UZLBHIALSA-N 1 0 372.513 2.147 20 10 FECDRO CCOCc1cc(C[NH2+]C2(CC(=O)OC)CCOCC2)ccc1OC ZINC000268049750 550037163 /nfs/dbraw/zinc/03/71/63/550037163.db2.gz RUOUIJJWCAWSNE-UHFFFAOYSA-N 1 0 351.443 2.434 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000269224127 550169448 /nfs/dbraw/zinc/16/94/48/550169448.db2.gz DPXOYHFQMQNQTC-PMACEKPBSA-N 1 0 374.529 2.272 20 10 FECDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(OC)ccc1O ZINC000271771723 550400511 /nfs/dbraw/zinc/40/05/11/550400511.db2.gz BSNITZWCXKQFOR-SFHVURJKSA-N 1 0 353.422 2.329 20 10 FECDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282512 550433765 /nfs/dbraw/zinc/43/37/65/550433765.db2.gz BVIPNULNLYHMSI-UYAOXDASSA-N 1 0 372.513 2.149 20 10 FECDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000272594553 550459772 /nfs/dbraw/zinc/45/97/72/550459772.db2.gz IEZCHTQVWBJILJ-WESDXNOOSA-N 1 0 355.482 2.089 20 10 FECDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc2c(cc1O)CCCC2 ZINC000273582429 550504011 /nfs/dbraw/zinc/50/40/11/550504011.db2.gz MYFOITIWUYSPEV-OAHLLOKOSA-N 1 0 359.514 2.474 20 10 FECDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273583399 550504034 /nfs/dbraw/zinc/50/40/34/550504034.db2.gz NCVLGYBEVFLMIY-LSDHHAIUSA-N 1 0 350.463 2.225 20 10 FECDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000275398013 550572310 /nfs/dbraw/zinc/57/23/10/550572310.db2.gz DJDWTOLXMVDUGU-UHFFFAOYSA-N 1 0 360.502 2.149 20 10 FECDRO COCCn1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000282837929 551276109 /nfs/dbraw/zinc/27/61/09/551276109.db2.gz SNCJMIOXKOIOQQ-OAHLLOKOSA-N 1 0 362.449 2.356 20 10 FECDRO C[NH+](C)CCCOc1cnccc1CNC(=O)NCc1ccccc1O ZINC000288428527 552151673 /nfs/dbraw/zinc/15/16/73/552151673.db2.gz PGCDRUDTDJGQJI-UHFFFAOYSA-N 1 0 358.442 2.117 20 10 FECDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000289271965 552293027 /nfs/dbraw/zinc/29/30/27/552293027.db2.gz GKXMTTJKMGAEBU-DOMZBBRYSA-N 1 0 355.276 2.450 20 10 FECDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000293837679 552861096 /nfs/dbraw/zinc/86/10/96/552861096.db2.gz SSCSCMNEFFBNSU-UHFFFAOYSA-N 1 0 366.527 2.216 20 10 FECDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCNS(C)(=O)=O)cc1 ZINC000294676912 552925972 /nfs/dbraw/zinc/92/59/72/552925972.db2.gz DTNREVOOVDYVTP-UHFFFAOYSA-N 1 0 353.513 2.023 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(CCC(O)CC3)CC2)cc1 ZINC000295689859 553044798 /nfs/dbraw/zinc/04/47/98/553044798.db2.gz LNBDPGDFGJRNPY-UHFFFAOYSA-N 1 0 359.514 2.386 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000295963469 553082250 /nfs/dbraw/zinc/08/22/50/553082250.db2.gz JRXAJZRTTIGZMW-MISYRCLQSA-N 1 0 357.498 2.306 20 10 FECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000296498096 553170092 /nfs/dbraw/zinc/17/00/92/553170092.db2.gz OYSKCIQBBQEYHP-MWLCHTKSSA-N 1 0 365.293 2.133 20 10 FECDRO O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000296548101 553177964 /nfs/dbraw/zinc/17/79/64/553177964.db2.gz SRVNDKITTQBRNX-OALUTQOASA-N 1 0 366.461 2.439 20 10 FECDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296678787 553197414 /nfs/dbraw/zinc/19/74/14/553197414.db2.gz GRUSHTZQEBGQOV-UHFFFAOYSA-N 1 0 353.513 2.023 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000297588304 553312276 /nfs/dbraw/zinc/31/22/76/553312276.db2.gz CCZAPQIDXSHAOY-QGZVFWFLSA-N 1 0 361.486 2.074 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000297798832 553340402 /nfs/dbraw/zinc/34/04/02/553340402.db2.gz KCNCJZMRRVFXDP-UHFFFAOYSA-N 1 0 374.529 2.045 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000299154819 553522804 /nfs/dbraw/zinc/52/28/04/553522804.db2.gz XBBKLUOXFLFIID-FQEVSTJZSA-N 1 0 355.482 2.472 20 10 FECDRO O=c1ccc(N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)n[nH]1 ZINC000362100228 554949662 /nfs/dbraw/zinc/94/96/62/554949662.db2.gz VNNIANRMHMTSNE-UHFFFAOYSA-N 1 0 353.470 2.495 20 10 FECDRO COc1cc(Cl)cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1O ZINC000363909061 555211438 /nfs/dbraw/zinc/21/14/38/555211438.db2.gz MUAKMGDJNWQKID-HOTGVXAUSA-N 1 0 354.878 2.475 20 10 FECDRO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366323467 555812246 /nfs/dbraw/zinc/81/22/46/555812246.db2.gz MBEDUMQPTYOUSQ-STQMWFEESA-N 1 0 359.392 2.383 20 10 FECDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CC[C@H]12 ZINC000366481804 555856466 /nfs/dbraw/zinc/85/64/66/555856466.db2.gz LMPZNRNGSPVOHA-ZWKOTPCHSA-N 1 0 366.417 2.066 20 10 FECDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368035764 556200462 /nfs/dbraw/zinc/20/04/62/556200462.db2.gz HMTUCFYTPRBFLR-DUXPYHPUSA-N 1 0 360.454 2.072 20 10 FECDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)nn1 ZINC000368106397 556220356 /nfs/dbraw/zinc/22/03/56/556220356.db2.gz FFAMWGWADOQSCR-AWEZNQCLSA-N 1 0 352.394 2.371 20 10 FECDRO CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000369433726 556599575 /nfs/dbraw/zinc/59/95/75/556599575.db2.gz CBFUHENNCKNIPV-WBVHZDCISA-N 1 0 355.486 2.343 20 10 FECDRO Cn1ccnc(N2CCC([NH2+]Cc3c(O)ccc4ccccc43)CC2)c1=O ZINC000369509804 556615039 /nfs/dbraw/zinc/61/50/39/556615039.db2.gz NEZWNAXURBRIIR-UHFFFAOYSA-N 1 0 364.449 2.398 20 10 FECDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCCN(c3nccc(OC)n3)CC2)c1 ZINC000370063725 556771476 /nfs/dbraw/zinc/77/14/76/556771476.db2.gz SBDWAJQJTNVORV-CQSZACIVSA-N 1 0 358.442 2.473 20 10 FECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)C[C@H]1C ZINC000370482179 556885914 /nfs/dbraw/zinc/88/59/14/556885914.db2.gz CFLKCKHTRZIFQE-BXKDBHETSA-N 1 0 358.232 2.404 20 10 FECDRO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C)n1-c1ccccn1 ZINC000372581335 557511827 /nfs/dbraw/zinc/51/18/27/557511827.db2.gz FTGYJRFKVQGVCP-MOPGFXCFSA-N 1 0 368.481 2.160 20 10 FECDRO COc1c(O)c(C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373604825 557728014 /nfs/dbraw/zinc/72/80/14/557728014.db2.gz SSFAMCXSTYLGMQ-SFHVURJKSA-N 1 0 366.414 2.469 20 10 FECDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805374 557934200 /nfs/dbraw/zinc/93/42/00/557934200.db2.gz IOQBDQACLRZZDY-OTIUETMYSA-N 1 0 360.454 2.117 20 10 FECDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)c1ccco1 ZINC000375693030 558068424 /nfs/dbraw/zinc/06/84/24/558068424.db2.gz NVUILEBIOIVLGE-ZDUSSCGKSA-N 1 0 358.394 2.356 20 10 FECDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000377498882 558352146 /nfs/dbraw/zinc/35/21/46/558352146.db2.gz ZLNICGKGCHTIME-HXUWFJFHSA-N 1 0 352.482 2.214 20 10 FECDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513575 558354704 /nfs/dbraw/zinc/35/47/04/558354704.db2.gz UQBNRBCXFPCXRV-IAGOWNOFSA-N 1 0 354.454 2.082 20 10 FECDRO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000377691658 558398289 /nfs/dbraw/zinc/39/82/89/558398289.db2.gz HVHNANUYEMGOCY-CVEARBPZSA-N 1 0 352.406 2.401 20 10 FECDRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O ZINC000527957083 562309559 /nfs/dbraw/zinc/30/95/59/562309559.db2.gz RSLSQSJXQFIKNJ-FZKQIMNGSA-N 1 0 354.878 2.312 20 10 FECDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000806662923 674385699 /nfs/dbraw/zinc/38/56/99/674385699.db2.gz JIOOIMJLVAXEFX-CJNGLKHVSA-N 1 0 369.506 2.181 20 10 FECDRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000810041715 674526594 /nfs/dbraw/zinc/52/65/94/674526594.db2.gz MURUWNYIXPSYOR-UHFFFAOYSA-N 1 0 371.572 2.001 20 10 FECDRO COc1ccc(N2CCC([NH2+]CCS(=O)(=O)CC3CC3)CC2)cc1 ZINC000812838031 674702175 /nfs/dbraw/zinc/70/21/75/674702175.db2.gz MYVAEXASNKETMW-UHFFFAOYSA-N 1 0 352.500 2.078 20 10 FECDRO CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCS1 ZINC000076072482 670540918 /nfs/dbraw/zinc/54/09/18/670540918.db2.gz SYTXNTUVGNQARY-SFHVURJKSA-N 1 0 363.527 2.171 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1O ZINC000093808531 670756039 /nfs/dbraw/zinc/75/60/39/670756039.db2.gz IFRNOBAOYWXLLQ-SNVBAGLBSA-N 1 0 357.248 2.251 20 10 FECDRO CC[C@@H](C)CS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000113290867 670883291 /nfs/dbraw/zinc/88/32/91/670883291.db2.gz ZOYFPMCZJWDEHK-OAHLLOKOSA-N 1 0 371.522 2.433 20 10 FECDRO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982243 675189046 /nfs/dbraw/zinc/18/90/46/675189046.db2.gz PTAGCWCXRXCFBM-GDBMZVCRSA-N 1 0 353.894 2.206 20 10 FECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000187796982 672577561 /nfs/dbraw/zinc/57/75/61/672577561.db2.gz OGUMMXVYWXVMEQ-GOSISDBHSA-N 1 0 352.450 2.194 20 10 FECDRO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000735073301 673480625 /nfs/dbraw/zinc/48/06/25/673480625.db2.gz MJQGXBHECDEKCD-ZDUSSCGKSA-N 1 0 360.435 2.415 20 10 FECDRO COc1ccc(N2CC[C@H](CNC(=S)NC3CC[NH+](C)CC3)C2)cc1 ZINC000819021612 675253208 /nfs/dbraw/zinc/25/32/08/675253208.db2.gz UFTYIKYJCSDOGU-OAHLLOKOSA-N 1 0 362.543 2.080 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1Cl ZINC000825325161 675646498 /nfs/dbraw/zinc/64/64/98/675646498.db2.gz BQEOZUPRUYZJSD-PXAZEXFGSA-N 1 0 351.834 2.164 20 10 FECDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000825883618 675672714 /nfs/dbraw/zinc/67/27/14/675672714.db2.gz YXCHMPPLPUEBGV-CYBMUJFWSA-N 1 0 360.907 2.457 20 10 FECDRO C[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[N@@H+]1C1CC1 ZINC000762097448 680740466 /nfs/dbraw/zinc/74/04/66/680740466.db2.gz TXYVAMWOZWKVLJ-NHYWBVRUSA-N 1 0 363.845 2.435 20 10 FECDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146644 680741489 /nfs/dbraw/zinc/74/14/89/680741489.db2.gz PISUODMBBXUBBZ-ACJLOTCBSA-N 1 0 351.441 2.374 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000840827390 680845137 /nfs/dbraw/zinc/84/51/37/680845137.db2.gz ISTRYCLQFCWDGL-KGLIPLIRSA-N 1 0 351.878 2.353 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000840894936 680850583 /nfs/dbraw/zinc/85/05/83/680850583.db2.gz UGYOLXNXPHNXQX-HNNXBMFYSA-N 1 0 353.532 2.006 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000840909122 680851932 /nfs/dbraw/zinc/85/19/32/680851932.db2.gz AHZYZXQZRNLSNN-AWEZNQCLSA-N 1 0 352.862 2.425 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000840955765 680856981 /nfs/dbraw/zinc/85/69/81/680856981.db2.gz YZNDDBCXFMDTGT-HWKANZROSA-N 1 0 363.527 2.266 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(Cl)c1 ZINC000840946636 680855771 /nfs/dbraw/zinc/85/57/71/680855771.db2.gz DASVZFGMALVSSD-DIFFPNOSSA-N 1 0 351.834 2.307 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1O ZINC000840961898 680857454 /nfs/dbraw/zinc/85/74/54/680857454.db2.gz FXXDYWAXRWVFDR-GWCFXTLKSA-N 1 0 360.248 2.040 20 10 FECDRO CNC(=O)NC1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000840974341 680858105 /nfs/dbraw/zinc/85/81/05/680858105.db2.gz GXPJZUUTNQBNKJ-UHFFFAOYSA-N 1 0 372.263 2.057 20 10 FECDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840974005 680858125 /nfs/dbraw/zinc/85/81/25/680858125.db2.gz ZOJDHISLHNOZJS-UHFFFAOYSA-N 1 0 369.487 2.500 20 10 FECDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765899872 680858959 /nfs/dbraw/zinc/85/89/59/680858959.db2.gz OGWPICIVWZHNIX-HOTGVXAUSA-N 1 0 352.450 2.366 20 10 FECDRO C[C@H](CS(=O)(=O)c1ccccc1)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044540 680860848 /nfs/dbraw/zinc/86/08/48/680860848.db2.gz CPDXXMQALLZFBC-BEFAXECRSA-N 1 0 361.511 2.204 20 10 FECDRO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000841060070 680861530 /nfs/dbraw/zinc/86/15/30/680861530.db2.gz FQMHJFSGDLFBFI-UHFFFAOYSA-N 1 0 364.496 2.100 20 10 FECDRO COc1cc(Br)cc(CN[C@@H]2C[NH2+]CCC2(F)F)c1O ZINC000841074139 680861977 /nfs/dbraw/zinc/86/19/77/680861977.db2.gz BVSUKAYPBZGARO-LLVKDONJSA-N 1 0 351.191 2.250 20 10 FECDRO CC(C)[NH+]1CCN(CCCC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000911897142 685279480 /nfs/dbraw/zinc/27/94/80/685279480.db2.gz GLKCQLLTFOHRMJ-UHFFFAOYSA-N 1 0 353.894 2.468 20 10 FECDRO CN1CCCc2cc(CNC(=O)NC[C@@]3([NH+](C)C)CCSC3)ccc21 ZINC000748625787 679981254 /nfs/dbraw/zinc/98/12/54/679981254.db2.gz VDNZWRVVXSSPKA-IBGZPJMESA-N 1 0 362.543 2.306 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CSC[C@@H]2CCCCO2)cc1 ZINC000832278457 680119616 /nfs/dbraw/zinc/11/96/16/680119616.db2.gz CKRCCAFCUXXLDW-DLBZAZTESA-N 1 0 351.516 2.171 20 10 FECDRO C[C@H]1C[C@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000756562002 680485868 /nfs/dbraw/zinc/48/58/68/680485868.db2.gz DKWNTOCYXCDRDR-WFASDCNBSA-N 1 0 370.490 2.178 20 10 FECDRO C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843652 680914494 /nfs/dbraw/zinc/91/44/94/680914494.db2.gz LBSFRJPETLDZNM-QWHCGFSZSA-N 1 0 356.417 2.293 20 10 FECDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000841954336 680918887 /nfs/dbraw/zinc/91/88/87/680918887.db2.gz WCTOTMMYOCYOEX-GXFFZTMASA-N 1 0 356.264 2.471 20 10 FECDRO Cc1cnn(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000771053540 681039341 /nfs/dbraw/zinc/03/93/41/681039341.db2.gz OBLWYQQBOJOCFP-INIZCTEOSA-N 1 0 362.861 2.331 20 10 FECDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000772454679 681098147 /nfs/dbraw/zinc/09/81/47/681098147.db2.gz JDURGIXVYBEEJX-MRXNPFEDSA-N 1 0 359.495 2.476 20 10 FECDRO COc1cccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1O ZINC000846155268 681191071 /nfs/dbraw/zinc/19/10/71/681191071.db2.gz FRMJXBWURNIBMV-LBPRGKRZSA-N 1 0 370.496 2.400 20 10 FECDRO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846193443 681198123 /nfs/dbraw/zinc/19/81/23/681198123.db2.gz IUKHTPMDUCZFRC-RDTXWAMCSA-N 1 0 354.878 2.369 20 10 FECDRO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000775396393 681303833 /nfs/dbraw/zinc/30/38/33/681303833.db2.gz SXHBYKNCJGIILJ-HOTGVXAUSA-N 1 0 372.918 2.177 20 10 FECDRO CCC[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000847031594 681323059 /nfs/dbraw/zinc/32/30/59/681323059.db2.gz IOUCJHQWOUHROR-UHFFFAOYSA-N 1 0 351.466 2.399 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000848548914 681575753 /nfs/dbraw/zinc/57/57/53/681575753.db2.gz MCZHKJIETGHDQJ-BDAKNGLRSA-N 1 0 363.227 2.288 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c1O ZINC000848552108 681576209 /nfs/dbraw/zinc/57/62/09/681576209.db2.gz HETPSYVIAKGIFQ-PSLIRLAXSA-N 1 0 357.248 2.483 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)ccc1O ZINC000848564224 681579906 /nfs/dbraw/zinc/57/99/06/681579906.db2.gz JXQIPPDJDQUAQL-MWLCHTKSSA-N 1 0 351.248 2.491 20 10 FECDRO COc1ccc(N2CC[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)C2)cc1 ZINC000849271076 681674079 /nfs/dbraw/zinc/67/40/79/681674079.db2.gz ZKCPKCUKAAIZLW-OAHLLOKOSA-N 1 0 364.559 2.326 20 10 FECDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)ccc1N1CCCCC1 ZINC000913173162 685473675 /nfs/dbraw/zinc/47/36/75/685473675.db2.gz SEMYOXSAJAOVKG-OAHLLOKOSA-N 1 0 367.471 2.109 20 10 FECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000858327219 682957237 /nfs/dbraw/zinc/95/72/37/682957237.db2.gz MSIJZMNWSNYRJH-WCQYABFASA-N 1 0 354.204 2.466 20 10 FECDRO COc1ccc(N2CC[NH+](CCNc3cc(Cl)[nH]c(=O)n3)CC2)cc1 ZINC000858367604 682961709 /nfs/dbraw/zinc/96/17/09/682961709.db2.gz SOIHFBRSTHJAAA-UHFFFAOYSA-N 1 0 363.849 2.078 20 10 FECDRO C[NH+]1CCC(CNC(=S)NCc2cc(Br)ccc2O)CC1 ZINC000795154962 683024304 /nfs/dbraw/zinc/02/43/04/683024304.db2.gz KLARRCSNUWIPHE-UHFFFAOYSA-N 1 0 372.332 2.461 20 10 FECDRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000795654663 683078015 /nfs/dbraw/zinc/07/80/15/683078015.db2.gz UVSACNIKJAKOOX-HNNXBMFYSA-N 1 0 370.515 2.251 20 10 FECDRO C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000927033720 683201140 /nfs/dbraw/zinc/20/11/40/683201140.db2.gz PZRGFOLXQNAPBA-MAUKXSAKSA-N 1 0 354.516 2.123 20 10 FECDRO C[N@@H+]1CCN(CC[NH2+]Cc2cccc(Br)c2[O-])CC1(C)C ZINC000799346759 683447728 /nfs/dbraw/zinc/44/77/28/683447728.db2.gz RMTIWISGPOLYSZ-UHFFFAOYSA-N 1 0 356.308 2.270 20 10 FECDRO Oc1cccc(Br)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000862213973 683550721 /nfs/dbraw/zinc/55/07/21/683550721.db2.gz ZVGJXSSYISMSQA-ZDUSSCGKSA-N 1 0 355.276 2.451 20 10 FECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)cc1 ZINC000922458645 683727155 /nfs/dbraw/zinc/72/71/55/683727155.db2.gz SNINEKCGFLYAMN-UHFFFAOYSA-N 1 0 361.511 2.434 20 10 FECDRO FC(F)(F)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)n1cncn1 ZINC000865682755 684013561 /nfs/dbraw/zinc/01/35/61/684013561.db2.gz KJQSAACWJMULPI-HNNXBMFYSA-N 1 0 355.364 2.008 20 10 FECDRO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000872201359 684926757 /nfs/dbraw/zinc/92/67/57/684926757.db2.gz XXGZQRFTSZKRTG-RTBURBONSA-N 1 0 350.528 2.241 20 10 FECDRO CC(C)(O)C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000872203165 684927195 /nfs/dbraw/zinc/92/71/95/684927195.db2.gz BRAYSNGWGZVTLK-ZFWWWQNUSA-N 1 0 358.429 2.368 20 10 FECDRO CN(C)c1cc(F)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000873170503 685087047 /nfs/dbraw/zinc/08/70/47/685087047.db2.gz XZTKJCGCQDREOO-QXMXGUDHSA-N 1 0 358.454 2.476 20 10 FECDRO OC1CCN(c2ccc(C[NH2+]CCc3cn4c(n3)SCC4)cc2)CC1 ZINC000877394569 686371827 /nfs/dbraw/zinc/37/18/27/686371827.db2.gz SNPPUBSROQUSJE-UHFFFAOYSA-N 1 0 358.511 2.282 20 10 FECDRO Cn1nnnc1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000877781474 686456380 /nfs/dbraw/zinc/45/63/80/686456380.db2.gz IRWSTCNNDYNPKM-UHFFFAOYSA-N 1 0 352.236 2.058 20 10 FECDRO COc1cc(N2CC[NH+](CC[C@@H](O)C(C)C)CC2)cc(OC)c1OC ZINC000878430888 686583868 /nfs/dbraw/zinc/58/38/68/686583868.db2.gz VWGWCIKXYLTJOI-MRXNPFEDSA-N 1 0 352.475 2.241 20 10 FECDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(Cl)c3O)C2)CC1 ZINC000893023443 689282733 /nfs/dbraw/zinc/28/27/33/689282733.db2.gz QWHAJXUVHFEACD-AWEZNQCLSA-N 1 0 366.893 2.013 20 10 FECDRO Cc1nc(C)c(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000893608231 689374092 /nfs/dbraw/zinc/37/40/92/689374092.db2.gz SXZYIXSKFCRQKW-UHFFFAOYSA-N 1 0 358.511 2.371 20 10 FECDRO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c(O)c1OC ZINC000894086895 689463504 /nfs/dbraw/zinc/46/35/04/689463504.db2.gz BWDCIJATJZUNGO-AWEZNQCLSA-N 1 0 350.459 2.095 20 10 FECDRO COC(=O)c1c(C[NH2+]C[C@@]2(O)CCSC2)c2cc(F)ccc2n1C ZINC000894325210 689509610 /nfs/dbraw/zinc/50/96/10/689509610.db2.gz GDMWIOHCKGWQOD-KRWDZBQOSA-N 1 0 352.431 2.062 20 10 FECDRO COc1cccc(C[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000894458428 689536078 /nfs/dbraw/zinc/53/60/78/689536078.db2.gz RBXKSBYZBKTUSN-AWEZNQCLSA-N 1 0 352.431 2.126 20 10 FECDRO CCOC(=O)CC1([NH2+]Cc2ccc(OC)c(OC)c2O)CCOCC1 ZINC000895463016 689721078 /nfs/dbraw/zinc/72/10/78/689721078.db2.gz DUNKIICIOKCZMM-UHFFFAOYSA-N 1 0 353.415 2.001 20 10 FECDRO COc1cc(Br)cc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1O ZINC000895575778 689738557 /nfs/dbraw/zinc/73/85/57/689738557.db2.gz IYBHQAOGUARRHL-BETUJISGSA-N 1 0 369.259 2.073 20 10 FECDRO COc1cc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000897618523 690050610 /nfs/dbraw/zinc/05/06/10/690050610.db2.gz USZITTAAHCYJNQ-OKILXGFUSA-N 1 0 353.484 2.175 20 10 FECDRO CC(C)[C@@](C)(CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100920 690304349 /nfs/dbraw/zinc/30/43/49/690304349.db2.gz CZVJKYRCKUSUIX-PKOBYXMFSA-N 1 0 350.507 2.062 20 10 FECDRO CCCCN(CCO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101065 690304452 /nfs/dbraw/zinc/30/44/52/690304452.db2.gz HQPWUTOTXYAQMO-GOSISDBHSA-N 1 0 350.507 2.159 20 10 FECDRO CCN(C[C@H](C)OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105513 690304863 /nfs/dbraw/zinc/30/48/63/690304863.db2.gz XTFHJHPLYVNGRQ-MAUKXSAKSA-N 1 0 350.507 2.422 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CCCc2ccccc2)cc1 ZINC000903517733 690907958 /nfs/dbraw/zinc/90/79/58/690907958.db2.gz JRDMWUFELBIJFK-LJQANCHMSA-N 1 0 361.511 2.305 20 10 FECDRO COCCn1cc(C[NH2+]Cc2cc(Br)cc(OC)c2O)cn1 ZINC000800287626 674038469 /nfs/dbraw/zinc/03/84/69/674038469.db2.gz NAEXKWCRVOMZEG-UHFFFAOYSA-N 1 0 370.247 2.296 20 10 FECDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000800479394 674056340 /nfs/dbraw/zinc/05/63/40/674056340.db2.gz ZBPRRYXHIZNRTE-MJGOQNOKSA-N 1 0 366.527 2.216 20 10 FECDRO CCOCCCC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000047061220 540287551 /nfs/dbraw/zinc/28/75/51/540287551.db2.gz QJCIBCRVRLYCOH-UHFFFAOYSA-N 1 0 363.502 2.140 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000066665025 541357245 /nfs/dbraw/zinc/35/72/45/541357245.db2.gz VIAVTJIMGISKTA-FQEVSTJZSA-N 1 0 358.530 2.271 20 10 FECDRO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826023822 675678299 /nfs/dbraw/zinc/67/82/99/675678299.db2.gz HXOHSIVJRRJDFC-LLVKDONJSA-N 1 0 355.232 2.429 20 10 FECDRO COc1cccc(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)c1O ZINC000801735642 674146446 /nfs/dbraw/zinc/14/64/46/674146446.db2.gz WEDKEEUPRRBVIZ-AWEZNQCLSA-N 1 0 364.467 2.248 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccncc3F)cc2F)CC1 ZINC000078112209 542442471 /nfs/dbraw/zinc/44/24/71/542442471.db2.gz WLICBIWQHMRFML-UHFFFAOYSA-N 1 0 360.408 2.432 20 10 FECDRO CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000093132861 542911019 /nfs/dbraw/zinc/91/10/19/542911019.db2.gz FYMIKBDOZVCVDD-HNNXBMFYSA-N 1 0 368.865 2.166 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCSCC3)cc2F)CC1 ZINC000106584892 543240768 /nfs/dbraw/zinc/24/07/68/543240768.db2.gz DKXLMDYRVNEQDJ-UHFFFAOYSA-N 1 0 366.506 2.226 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C)nn(C)c3C)cc2F)CC1 ZINC000106701913 543243443 /nfs/dbraw/zinc/24/34/43/543243443.db2.gz GOWQGSSHDRAOSL-UHFFFAOYSA-N 1 0 373.476 2.248 20 10 FECDRO CCC[N@H+](Cc1cc(Br)cc(C)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802657105 674190293 /nfs/dbraw/zinc/19/02/93/674190293.db2.gz ZVDDZIOFCUNQGK-CYBMUJFWSA-N 1 0 369.259 2.432 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cnc(C)s3)CC2)cc1 ZINC000116345035 543607251 /nfs/dbraw/zinc/60/72/51/543607251.db2.gz IWNWHMSXGDPCBY-UHFFFAOYSA-N 1 0 374.510 2.402 20 10 FECDRO [NH3+][C@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000129743435 544125817 /nfs/dbraw/zinc/12/58/17/544125817.db2.gz SASPNSACJSCTCM-GOSISDBHSA-N 1 0 357.429 2.369 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000151073798 544502292 /nfs/dbraw/zinc/50/22/92/544502292.db2.gz AIIVWLAKMLBPQZ-MRXNPFEDSA-N 1 0 364.453 2.350 20 10 FECDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)CN1CCOCC1 ZINC000153342606 544763713 /nfs/dbraw/zinc/76/37/13/544763713.db2.gz KEEBNZICYCXVKX-IAGOWNOFSA-N 1 0 365.493 2.281 20 10 FECDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CN1CCOCC1 ZINC000153342296 544763719 /nfs/dbraw/zinc/76/37/19/544763719.db2.gz KEEBNZICYCXVKX-IRXDYDNUSA-N 1 0 365.493 2.281 20 10 FECDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156755301 545656413 /nfs/dbraw/zinc/65/64/13/545656413.db2.gz XMIQVGVHMWWZJO-CVEARBPZSA-N 1 0 351.466 2.034 20 10 FECDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000157105219 545701225 /nfs/dbraw/zinc/70/12/25/545701225.db2.gz SYFRBVSCXOUCRD-KJRVTTDBSA-N 1 0 369.509 2.479 20 10 FECDRO O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000165995723 546154976 /nfs/dbraw/zinc/15/49/76/546154976.db2.gz IFKXYKFJHVAWJF-LBPRGKRZSA-N 1 0 357.376 2.280 20 10 FECDRO COc1cccc(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1O ZINC000173833703 546287485 /nfs/dbraw/zinc/28/74/85/546287485.db2.gz NYAQJPPDFMPIOY-UHFFFAOYSA-N 1 0 355.438 2.258 20 10 FECDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000174639760 546300928 /nfs/dbraw/zinc/30/09/28/546300928.db2.gz TUTLBYOKHOCERI-UHFFFAOYSA-N 1 0 350.278 2.458 20 10 FECDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000180786431 547179544 /nfs/dbraw/zinc/17/95/44/547179544.db2.gz SHUKSGZBGYLOLR-UTDDRVLSSA-N 1 0 362.470 2.364 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC[C@@H](C)OC)CC2)cc1 ZINC000180849495 547193775 /nfs/dbraw/zinc/19/37/75/547193775.db2.gz RPIKYOINCZNFPQ-QGZVFWFLSA-N 1 0 363.502 2.139 20 10 FECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4c(c3)nnn4C)c2)CC1 ZINC000184265798 547796862 /nfs/dbraw/zinc/79/68/62/547796862.db2.gz VZSMYALDEQJFBY-UHFFFAOYSA-N 1 0 364.453 2.363 20 10 FECDRO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(=O)N1CCOCC1 ZINC000185665468 548017066 /nfs/dbraw/zinc/01/70/66/548017066.db2.gz FFUFVJCIFRRVAR-FZMZJTMJSA-N 1 0 371.275 2.443 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1OC ZINC000194924046 548552231 /nfs/dbraw/zinc/55/22/31/548552231.db2.gz RBARZDZCTKWKNW-GFCCVEGCSA-N 1 0 362.430 2.238 20 10 FECDRO CCCN(Cc1cnc(N2CCN(C)CC2)nc1)c1ccc(C[NH3+])cc1 ZINC000194978543 548558390 /nfs/dbraw/zinc/55/83/90/548558390.db2.gz XBZLKMOZFINROC-UHFFFAOYSA-N 1 0 354.502 2.104 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000237222318 548809992 /nfs/dbraw/zinc/80/99/92/548809992.db2.gz IDIRFSDCFYJRDJ-HXUWFJFHSA-N 1 0 353.466 2.224 20 10 FECDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237334482 548820018 /nfs/dbraw/zinc/82/00/18/548820018.db2.gz GBYANJDVQPLTFO-LBPRGKRZSA-N 1 0 359.392 2.014 20 10 FECDRO CN(C)c1ccc(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000264338798 549994396 /nfs/dbraw/zinc/99/43/96/549994396.db2.gz VZPGBMREJSGEMM-UHFFFAOYSA-N 1 0 360.502 2.197 20 10 FECDRO CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+](CC)CC ZINC000265603444 550011902 /nfs/dbraw/zinc/01/19/02/550011902.db2.gz MUZKLZCBCCBIOT-KRWDZBQOSA-N 1 0 351.466 2.399 20 10 FECDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000268967069 550138542 /nfs/dbraw/zinc/13/85/42/550138542.db2.gz YSGATEKUJYYXLN-NVXWUHKLSA-N 1 0 351.466 2.034 20 10 FECDRO CN1CC[N@H+](CCCNC(=O)Cc2ccc(N)cc2)[C@@H](c2ccccc2)C1 ZINC000269244903 550171678 /nfs/dbraw/zinc/17/16/78/550171678.db2.gz DBJVSZBLAMIXOS-OAQYLSRUSA-N 1 0 366.509 2.306 20 10 FECDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000269312247 550179719 /nfs/dbraw/zinc/17/97/19/550179719.db2.gz XFGKROPASKKJAO-UHFFFAOYSA-N 1 0 366.509 2.265 20 10 FECDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)nc1 ZINC000271759556 550400078 /nfs/dbraw/zinc/40/00/78/550400078.db2.gz YHWUYLWYYBAPJJ-UHFFFAOYSA-N 1 0 371.437 2.295 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000271983965 550414663 /nfs/dbraw/zinc/41/46/63/550414663.db2.gz KBKFYNFGCVWWCR-IEBWSBKVSA-N 1 0 366.527 2.359 20 10 FECDRO COc1cc(C[NH2+]Cc2cc(F)ccc2O)ccc1OCC(=O)N(C)C ZINC000272525841 550455786 /nfs/dbraw/zinc/45/57/86/550455786.db2.gz YXAIDBMRFBQCTH-UHFFFAOYSA-N 1 0 362.401 2.297 20 10 FECDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)nc2)C1 ZINC000272653910 550463329 /nfs/dbraw/zinc/46/33/29/550463329.db2.gz NKKHPLVAIXHKKH-YCOJEUHLSA-N 1 0 368.437 2.285 20 10 FECDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000274832261 550558245 /nfs/dbraw/zinc/55/82/45/550558245.db2.gz VBAUKRGZZZFPCN-UHFFFAOYSA-N 1 0 359.378 2.305 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276607681 550579301 /nfs/dbraw/zinc/57/93/01/550579301.db2.gz LANRXZPRWYDDDH-UHFFFAOYSA-N 1 0 365.477 2.141 20 10 FECDRO CN1CCCc2cc(CNC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)ccc21 ZINC000276817052 550599524 /nfs/dbraw/zinc/59/95/24/550599524.db2.gz FNKHHTGRBATFTA-KRWDZBQOSA-N 1 0 353.470 2.120 20 10 FECDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000278766219 550819431 /nfs/dbraw/zinc/81/94/31/550819431.db2.gz UFSQSWCRMVYCLC-DOMZBBRYSA-N 1 0 374.275 2.001 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)cc1OC ZINC000278763456 550819666 /nfs/dbraw/zinc/81/96/66/550819666.db2.gz UBIXXKVZLQXKQP-HNNXBMFYSA-N 1 0 360.458 2.210 20 10 FECDRO COc1c(O)c(CNc2ccc(N3CC[NH+](C)CC3)cn2)ccc1[N+](=O)[O-] ZINC000278950314 550839430 /nfs/dbraw/zinc/83/94/30/550839430.db2.gz ZJRWLMSKVLPULC-UHFFFAOYSA-N 1 0 373.413 2.068 20 10 FECDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000281381031 551090312 /nfs/dbraw/zinc/09/03/12/551090312.db2.gz WEGVFIFAEMTDMF-LJQANCHMSA-N 1 0 367.442 2.201 20 10 FECDRO COc1c(O)c(C[NH2+][C@]2(CO)CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000282411696 551225005 /nfs/dbraw/zinc/22/50/05/551225005.db2.gz SEYYKELGRWMNEE-SFHVURJKSA-N 1 0 360.366 2.069 20 10 FECDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000282540524 551244029 /nfs/dbraw/zinc/24/40/29/551244029.db2.gz VYXPGVPACZTRJT-OAHLLOKOSA-N 1 0 361.486 2.107 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000286290532 551870263 /nfs/dbraw/zinc/87/02/63/551870263.db2.gz HMYCNIFIQZGYNO-UHFFFAOYSA-N 1 0 361.486 2.121 20 10 FECDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000287313910 551988321 /nfs/dbraw/zinc/98/83/21/551988321.db2.gz FCHOUYGSGNZYLL-OAHLLOKOSA-N 1 0 352.450 2.245 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)cc1OC ZINC000289529585 552335967 /nfs/dbraw/zinc/33/59/67/552335967.db2.gz HOLDAJGFTGXQCS-CQSZACIVSA-N 1 0 352.431 2.462 20 10 FECDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000290121043 552430263 /nfs/dbraw/zinc/43/02/63/552430263.db2.gz JIYHBPYGOCQHIU-VQIMIIECSA-N 1 0 363.477 2.037 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000290368017 552468029 /nfs/dbraw/zinc/46/80/29/552468029.db2.gz HFTKFJUUCVTXDN-FXAWDEMLSA-N 1 0 356.466 2.373 20 10 FECDRO Cc1ccc(C(=O)NCc2ccncc2OCCC[NH+](C)C)c(O)c1O ZINC000293244760 552802987 /nfs/dbraw/zinc/80/29/87/552802987.db2.gz FMUREISMVWTWES-UHFFFAOYSA-N 1 0 359.426 2.062 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000293673216 552845864 /nfs/dbraw/zinc/84/58/64/552845864.db2.gz NBMHILPGJRAGIP-ZZXKWVIFSA-N 1 0 355.482 2.139 20 10 FECDRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(Cl)c1[O-] ZINC000293933482 552868980 /nfs/dbraw/zinc/86/89/80/552868980.db2.gz NSGDULLVZRJUTH-UHFFFAOYSA-N 1 0 370.858 2.204 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000294820770 552936476 /nfs/dbraw/zinc/93/64/76/552936476.db2.gz GCUAVCXBXHYHEV-UHFFFAOYSA-N 1 0 367.449 2.486 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000297590264 553312651 /nfs/dbraw/zinc/31/26/51/553312651.db2.gz CERUPRJXFNFUST-NRFANRHFSA-N 1 0 373.497 2.075 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000297917348 553357003 /nfs/dbraw/zinc/35/70/03/553357003.db2.gz SZEQQGMZAPBWLH-LJQANCHMSA-N 1 0 374.529 2.044 20 10 FECDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000299394477 553557585 /nfs/dbraw/zinc/55/75/85/553557585.db2.gz VZUIXMJTVVELKJ-MRXNPFEDSA-N 1 0 362.518 2.035 20 10 FECDRO COCCC[N@@H+]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000363117732 555033979 /nfs/dbraw/zinc/03/39/79/555033979.db2.gz KVVIXAVZRVBUTH-UHFFFAOYSA-N 1 0 374.529 2.323 20 10 FECDRO NC(=O)c1noc([C@H]2CCCN2Cc2ccc(N3CCCCC3)cc2)n1 ZINC000364232785 555275341 /nfs/dbraw/zinc/27/53/41/555275341.db2.gz AIIZOXGJMRGMSN-MRXNPFEDSA-N 1 0 355.442 2.496 20 10 FECDRO O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000366324258 555812356 /nfs/dbraw/zinc/81/23/56/555812356.db2.gz NTYZGYPHIQCHJL-SWLSCSKDSA-N 1 0 357.376 2.280 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c(O)c1 ZINC000366536749 555870653 /nfs/dbraw/zinc/87/06/53/555870653.db2.gz SUPXJCGGPNPFLZ-IBGZPJMESA-N 1 0 361.442 2.086 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]34CCOC4)cc2F)CC1 ZINC000368136822 556227255 /nfs/dbraw/zinc/22/72/55/556227255.db2.gz YFTRNSAEDYEBJM-OXQOHEQNSA-N 1 0 361.461 2.010 20 10 FECDRO Cc1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000369407231 556593882 /nfs/dbraw/zinc/59/38/82/556593882.db2.gz FWPWVBNHENOADK-PBHICJAKSA-N 1 0 355.486 2.213 20 10 FECDRO COCCC[N@@H+]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000369660051 556661356 /nfs/dbraw/zinc/66/13/56/556661356.db2.gz FMEJYKJATXBRGB-UHFFFAOYSA-N 1 0 372.513 2.317 20 10 FECDRO CN(C)c1ccc(C[N@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000371378648 557166237 /nfs/dbraw/zinc/16/62/37/557166237.db2.gz JVGQHUJGAHOFTE-UHFFFAOYSA-N 1 0 358.530 2.271 20 10 FECDRO COC(=O)c1ccnc(N2CCC([NH2+]Cc3cccc(OC)c3O)CC2)c1 ZINC000371831755 557306013 /nfs/dbraw/zinc/30/60/13/557306013.db2.gz BNVWHEIFVYUPFR-UHFFFAOYSA-N 1 0 371.437 2.341 20 10 FECDRO COc1cccc(CN2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC000375008154 557963004 /nfs/dbraw/zinc/96/30/04/557963004.db2.gz KJUXHSSBANVUTN-ZBFHGGJFSA-N 1 0 364.442 2.221 20 10 FECDRO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000375780701 558079571 /nfs/dbraw/zinc/07/95/71/558079571.db2.gz PZWXUBYSCHVOQJ-LLVKDONJSA-N 1 0 368.434 2.006 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)c1 ZINC000377725599 558405875 /nfs/dbraw/zinc/40/58/75/558405875.db2.gz ZQYMMGMDNLJAJH-BPUTZDHNSA-N 1 0 362.449 2.398 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC ZINC000378451030 558560502 /nfs/dbraw/zinc/56/05/02/558560502.db2.gz IRPSIYXKHNWZLE-MRXNPFEDSA-N 1 0 356.422 2.300 20 10 FECDRO CNC(=O)CCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444119273 560102352 /nfs/dbraw/zinc/10/23/52/560102352.db2.gz ACNPYUFAZUSNDT-UHFFFAOYSA-N 1 0 370.497 2.002 20 10 FECDRO CC[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810213806 674537304 /nfs/dbraw/zinc/53/73/04/674537304.db2.gz HXFGDNLDQCEYSV-AWEZNQCLSA-N 1 0 359.392 2.226 20 10 FECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000076323638 670547653 /nfs/dbraw/zinc/54/76/53/670547653.db2.gz IVMQRBYMBFLENK-UGSOOPFHSA-N 1 0 350.459 2.371 20 10 FECDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1O ZINC000090025985 670709650 /nfs/dbraw/zinc/70/96/50/670709650.db2.gz BHSWYUXZUBDHBX-VXGBXAGGSA-N 1 0 355.232 2.343 20 10 FECDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000092303776 670737319 /nfs/dbraw/zinc/73/73/19/670737319.db2.gz KJZOPEKGKRORHS-HNNXBMFYSA-N 1 0 364.467 2.068 20 10 FECDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817586572 675149055 /nfs/dbraw/zinc/14/90/55/675149055.db2.gz PXQGHHWIAWTTOT-CYBMUJFWSA-N 1 0 351.878 2.483 20 10 FECDRO C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817935479 675187072 /nfs/dbraw/zinc/18/70/72/675187072.db2.gz HHOZDQVTLQALIQ-NSHDSACASA-N 1 0 360.271 2.240 20 10 FECDRO CCCCOCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000118224237 671884189 /nfs/dbraw/zinc/88/41/89/671884189.db2.gz AXAJXHKRIWJCCM-UHFFFAOYSA-N 1 0 351.466 2.401 20 10 FECDRO CCC[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000123532863 671981342 /nfs/dbraw/zinc/98/13/42/671981342.db2.gz WTQSKJNOYPPDOR-GASCZTMLSA-N 1 0 351.466 2.397 20 10 FECDRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1c(O)cccc1Cl ZINC000733325185 673410111 /nfs/dbraw/zinc/41/01/11/673410111.db2.gz CHNMPXVSJMXQTB-UHFFFAOYSA-N 1 0 354.859 2.255 20 10 FECDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818966907 675247539 /nfs/dbraw/zinc/24/75/39/675247539.db2.gz PFZLKEABUOMQFS-INMHGKMJSA-N 1 0 354.466 2.316 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000818985598 675249932 /nfs/dbraw/zinc/24/99/32/675249932.db2.gz VYXZRWFXFYCCLK-SFHVURJKSA-N 1 0 366.458 2.118 20 10 FECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824828179 675623849 /nfs/dbraw/zinc/62/38/49/675623849.db2.gz LUJXAVSJZPLHQJ-VXGBXAGGSA-N 1 0 358.360 2.243 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 ZINC000824832708 675624524 /nfs/dbraw/zinc/62/45/24/675624524.db2.gz ZJOMYYNJZVTUND-YPMHNXCESA-N 1 0 358.360 2.243 20 10 FECDRO O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCN1C1CCOCC1 ZINC000825326921 675646849 /nfs/dbraw/zinc/64/68/49/675646849.db2.gz SPMVUUSEMAHROG-AWEZNQCLSA-N 1 0 369.259 2.024 20 10 FECDRO Cc1cc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827842868 675782774 /nfs/dbraw/zinc/78/27/74/675782774.db2.gz COZQUDOZBKLBLL-KRWDZBQOSA-N 1 0 351.516 2.109 20 10 FECDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000828358124 675815370 /nfs/dbraw/zinc/81/53/70/675815370.db2.gz HQVKARFKWBESIM-KRWDZBQOSA-N 1 0 357.376 2.075 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000761076991 680709916 /nfs/dbraw/zinc/70/99/16/680709916.db2.gz OOSCFPHACOLUCE-CABCVRRESA-N 1 0 363.845 2.437 20 10 FECDRO CC[N@H+](CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C1CC1 ZINC000761204302 680714720 /nfs/dbraw/zinc/71/47/20/680714720.db2.gz GFLQISXEPJPHOH-UHFFFAOYSA-N 1 0 351.834 2.294 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCSC3)CC2)cc1 ZINC000761832592 680732423 /nfs/dbraw/zinc/73/24/23/680732423.db2.gz RHXLYBFGGLLQKX-MRXNPFEDSA-N 1 0 363.527 2.077 20 10 FECDRO COc1ccc(O)c(C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)c1 ZINC000839148842 680741649 /nfs/dbraw/zinc/74/16/49/680741649.db2.gz NLKVHSAGYLLHHQ-UHFFFAOYSA-N 1 0 364.467 2.377 20 10 FECDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000839148912 680741719 /nfs/dbraw/zinc/74/17/19/680741719.db2.gz OCKRLQYNJHETRS-UHFFFAOYSA-N 1 0 365.474 2.480 20 10 FECDRO COc1ccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c(O)c1 ZINC000839746897 680776323 /nfs/dbraw/zinc/77/63/23/680776323.db2.gz BYPDNUYEVIAEOH-HNNXBMFYSA-N 1 0 350.484 2.235 20 10 FECDRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289647 680838302 /nfs/dbraw/zinc/83/83/02/680838302.db2.gz COJPMULBZBPGIO-RDJZCZTQSA-N 1 0 367.921 2.284 20 10 FECDRO COc1ccc(N2CCC([NH2+]CC3(CS(C)(=O)=O)CCC3)CC2)cc1 ZINC000840888600 680849399 /nfs/dbraw/zinc/84/93/99/680849399.db2.gz BHKKMEGTHQUZPM-UHFFFAOYSA-N 1 0 366.527 2.469 20 10 FECDRO C[N@H+](CC(=O)NCc1cccc(Br)c1O)[C@@H]1CCSC1 ZINC000765728366 680852849 /nfs/dbraw/zinc/85/28/49/680852849.db2.gz IWFVUTMNSWTVIY-LLVKDONJSA-N 1 0 359.289 2.208 20 10 FECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(F)(F)F ZINC000765787277 680855141 /nfs/dbraw/zinc/85/51/41/680855141.db2.gz KJLMUVYUWKNXNX-HIFRSBDPSA-N 1 0 350.356 2.454 20 10 FECDRO C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978733 680862032 /nfs/dbraw/zinc/86/20/32/680862032.db2.gz HHPPSCXMQKGRHJ-INIZCTEOSA-N 1 0 366.527 2.216 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000835028453 680287146 /nfs/dbraw/zinc/28/71/46/680287146.db2.gz RDVMCEXYRGXIFY-AATRIKPKSA-N 1 0 351.516 2.122 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](CCO)c2cccs2)cc1 ZINC000754382754 680352991 /nfs/dbraw/zinc/35/29/91/680352991.db2.gz NDXVWPGBSPGUED-QGZVFWFLSA-N 1 0 361.511 2.486 20 10 FECDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754723368 680373070 /nfs/dbraw/zinc/37/30/70/680373070.db2.gz QZHVVRXSBFZMLQ-HUUCEWRRSA-N 1 0 350.459 2.072 20 10 FECDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000756446567 680479389 /nfs/dbraw/zinc/47/93/89/680479389.db2.gz SCCGRAUWMTYNNX-GFCCVEGCSA-N 1 0 352.431 2.431 20 10 FECDRO C[C@H]1C[C@@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000756562001 680485669 /nfs/dbraw/zinc/48/56/69/680485669.db2.gz DKWNTOCYXCDRDR-SWLSCSKDSA-N 1 0 370.490 2.178 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)ccc1O ZINC000756639864 680490011 /nfs/dbraw/zinc/49/00/11/680490011.db2.gz HAMAJBMMKVHUHN-VIFPVBQESA-N 1 0 350.216 2.499 20 10 FECDRO Cn1ncc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1Cl ZINC000841495393 680887557 /nfs/dbraw/zinc/88/75/57/680887557.db2.gz HFXWFGQEEOFTCJ-YRNVUSSQSA-N 1 0 356.904 2.369 20 10 FECDRO C[NH2+]CCN(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843437 680914362 /nfs/dbraw/zinc/91/43/62/680914362.db2.gz ILNPAHMGLYKTEK-ZDUSSCGKSA-N 1 0 356.417 2.118 20 10 FECDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000768226742 680941400 /nfs/dbraw/zinc/94/14/00/680941400.db2.gz YUTLVEQQFVIXGN-MRXNPFEDSA-N 1 0 359.495 2.476 20 10 FECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1O ZINC000843058506 680984942 /nfs/dbraw/zinc/98/49/42/680984942.db2.gz UTJZIDYWUIJIMZ-WMLDXEAASA-N 1 0 365.905 2.434 20 10 FECDRO CCN1C[C@@H](C[NH2+]Cc2cc(Br)cc(OC)c2O)CC1=O ZINC000846092914 681182060 /nfs/dbraw/zinc/18/20/60/681182060.db2.gz KIPPTODMCVNNAN-SNVBAGLBSA-N 1 0 357.248 2.121 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)c1O ZINC000846146616 681189096 /nfs/dbraw/zinc/18/90/96/681189096.db2.gz SSNLOLIYKKPVCB-CQSZACIVSA-N 1 0 364.467 2.171 20 10 FECDRO C[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775260065 681290762 /nfs/dbraw/zinc/29/07/62/681290762.db2.gz MQVHGXLLRAHOQD-CYBMUJFWSA-N 1 0 359.392 2.242 20 10 FECDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000775998621 681355640 /nfs/dbraw/zinc/35/56/40/681355640.db2.gz GZIGKLJQFNCUKG-STQMWFEESA-N 1 0 352.431 2.366 20 10 FECDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000847289917 681359416 /nfs/dbraw/zinc/35/94/16/681359416.db2.gz QPOFWRFUQSMTCQ-MAEOIBBWSA-N 1 0 362.543 2.379 20 10 FECDRO COc1cc(Br)cc(C[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000776497484 681396339 /nfs/dbraw/zinc/39/63/39/681396339.db2.gz VFWYFCYCTSAFMS-UHFFFAOYSA-N 1 0 367.247 2.309 20 10 FECDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000777221388 681473703 /nfs/dbraw/zinc/47/37/03/681473703.db2.gz GUEYDPBIAYOPLS-GFCCVEGCSA-N 1 0 352.431 2.366 20 10 FECDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1 ZINC000848531167 681572707 /nfs/dbraw/zinc/57/27/07/681572707.db2.gz ODRYUAMIZWILLN-ZBFHGGJFSA-N 1 0 354.541 2.295 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1O ZINC000848549798 681576295 /nfs/dbraw/zinc/57/62/95/681576295.db2.gz UNTMFTRLSUZTOS-TUAOUCFPSA-N 1 0 374.275 2.459 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c1O ZINC000848549760 681576313 /nfs/dbraw/zinc/57/63/13/681576313.db2.gz SWIBFYGLFVQREY-FEUHOPSXSA-N 1 0 360.248 2.354 20 10 FECDRO C[C@@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)[NH+](C)C ZINC000853435808 682413012 /nfs/dbraw/zinc/41/30/12/682413012.db2.gz OJUPWTLJQWGUBI-HNNXBMFYSA-N 1 0 350.532 2.379 20 10 FECDRO CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000853434712 682413105 /nfs/dbraw/zinc/41/31/05/682413105.db2.gz CQLZPAFFGISJFN-SFHVURJKSA-N 1 0 362.543 2.475 20 10 FECDRO C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(Br)cc1O ZINC000927147526 683212131 /nfs/dbraw/zinc/21/21/31/683212131.db2.gz SNTOYHBLKLIDJR-ONGXEEELSA-N 1 0 351.248 2.491 20 10 FECDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862550684 683600231 /nfs/dbraw/zinc/60/02/31/683600231.db2.gz GTCOFBPNEUHEOA-SFHVURJKSA-N 1 0 365.543 2.438 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)cc1F ZINC000862550967 683600486 /nfs/dbraw/zinc/60/04/86/683600486.db2.gz IGYCRVFCLKTLQR-INIZCTEOSA-N 1 0 371.522 2.433 20 10 FECDRO Oc1cc2c(cc1C[NH2+]Cc1ccnc(N3CCSCC3)c1)OCO2 ZINC000865721325 684019218 /nfs/dbraw/zinc/01/92/18/684019218.db2.gz UXNLGYJRSWTGFE-UHFFFAOYSA-N 1 0 359.451 2.359 20 10 FECDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000865819418 684033320 /nfs/dbraw/zinc/03/33/20/684033320.db2.gz UCFAOFYAUXDCTP-UHFFFAOYSA-N 1 0 354.859 2.286 20 10 FECDRO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(Br)cc1O ZINC000866571248 684120919 /nfs/dbraw/zinc/12/09/19/684120919.db2.gz BSMALGSDMHNITI-VIFPVBQESA-N 1 0 365.293 2.120 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000932024182 684393090 /nfs/dbraw/zinc/39/30/90/684393090.db2.gz GIUBAKFZCDFPAH-ACJLOTCBSA-N 1 0 350.390 2.444 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000925143017 684528161 /nfs/dbraw/zinc/52/81/61/684528161.db2.gz PGTRJIFZWFOFEI-ZWKOTPCHSA-N 1 0 362.543 2.474 20 10 FECDRO CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160281 684531858 /nfs/dbraw/zinc/53/18/58/684531858.db2.gz KXXIVPCQIXWUGB-DOMZBBRYSA-N 1 0 353.413 2.371 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000925417001 684561300 /nfs/dbraw/zinc/56/13/00/684561300.db2.gz YURWRUXJTRVSKC-AWEZNQCLSA-N 1 0 352.431 2.126 20 10 FECDRO C[C@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000872201357 684926797 /nfs/dbraw/zinc/92/67/97/684926797.db2.gz XXGZQRFTSZKRTG-OALUTQOASA-N 1 0 350.528 2.241 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000911666494 685241473 /nfs/dbraw/zinc/24/14/73/685241473.db2.gz ILMLWTHDBJUBBB-RRFJBIMHSA-N 1 0 359.392 2.369 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000876699141 686246371 /nfs/dbraw/zinc/24/63/71/686246371.db2.gz RGZLFXNWOZTTHL-INIZCTEOSA-N 1 0 371.275 2.259 20 10 FECDRO COc1ncc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000876980743 686305030 /nfs/dbraw/zinc/30/50/30/686305030.db2.gz NHKSUTRNDKHLRH-UHFFFAOYSA-N 1 0 362.499 2.072 20 10 FECDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(O)c1 ZINC000877031076 686314428 /nfs/dbraw/zinc/31/44/28/686314428.db2.gz QRVGEQHWUOTTRA-UHFFFAOYSA-N 1 0 360.479 2.225 20 10 FECDRO CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000877478433 686385965 /nfs/dbraw/zinc/38/59/65/686385965.db2.gz GKHGJAIMRXZKSE-UHFFFAOYSA-N 1 0 357.292 2.480 20 10 FECDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877622689 686424383 /nfs/dbraw/zinc/42/43/83/686424383.db2.gz AZUIUDUUQOKUSU-WVCKHHOPSA-N 1 0 350.528 2.427 20 10 FECDRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000879647737 686879845 /nfs/dbraw/zinc/87/98/45/686879845.db2.gz JRGWSXZMPJBLMA-CQSZACIVSA-N 1 0 364.467 2.372 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(Cl)cn3)cc2)CC1 ZINC000881853695 687235021 /nfs/dbraw/zinc/23/50/21/687235021.db2.gz GWGVWAZGTOKJAM-UHFFFAOYSA-N 1 0 358.873 2.346 20 10 FECDRO COc1ccc(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c(O)c1OC ZINC000892599037 689216940 /nfs/dbraw/zinc/21/69/40/689216940.db2.gz GYRYUOUXEWKFAU-UHFFFAOYSA-N 1 0 366.439 2.071 20 10 FECDRO COc1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c(O)c1OC ZINC000894633778 689570533 /nfs/dbraw/zinc/57/05/33/689570533.db2.gz HLUIFNOBHIATJD-GOSISDBHSA-N 1 0 351.443 2.067 20 10 FECDRO COc1cc(C)cc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1O ZINC000894986941 689635013 /nfs/dbraw/zinc/63/50/13/689635013.db2.gz WSWTZHBSKVARMJ-INIZCTEOSA-N 1 0 351.443 2.215 20 10 FECDRO COc1c(O)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895837955 689778583 /nfs/dbraw/zinc/77/85/83/689778583.db2.gz YTOFQKHEDGIXTO-CYBMUJFWSA-N 1 0 350.293 2.056 20 10 FECDRO COc1ccc(CN2CCC([NH2+]C3CCOCC3)CC2)c(O)c1OC ZINC000896036339 689810045 /nfs/dbraw/zinc/81/00/45/689810045.db2.gz PMIWXDXQHVXZFT-UHFFFAOYSA-N 1 0 350.459 2.142 20 10 FECDRO O=C1NCCN1CC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000897580341 690043323 /nfs/dbraw/zinc/04/33/23/690043323.db2.gz LRLPKTWFRAZVFO-UHFFFAOYSA-N 1 0 368.275 2.392 20 10 FECDRO CCc1cccc(C[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000897695676 690065266 /nfs/dbraw/zinc/06/52/66/690065266.db2.gz ORUADZOBYJYHPD-LJQANCHMSA-N 1 0 350.459 2.416 20 10 FECDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000903982176 690991768 /nfs/dbraw/zinc/99/17/68/690991768.db2.gz MLJPDJPYLVHZBS-DZGCQCFKSA-N 1 0 361.383 2.374 20 10 FECDRO COc1cc(Br)cc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903982845 690992075 /nfs/dbraw/zinc/99/20/75/690992075.db2.gz XJZOXIMMZLMLCV-NXEZZACHSA-N 1 0 369.181 2.485 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1OC ZINC000905700053 691164602 /nfs/dbraw/zinc/16/46/02/691164602.db2.gz DGJWBUMCHZIRJR-UGSOOPFHSA-N 1 0 350.415 2.120 20 10 FECDRO COc1ccc(N2CCC(N(C)C(=O)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000066174570 541286029 /nfs/dbraw/zinc/28/60/29/541286029.db2.gz FUXNMUWZWBWPIN-UHFFFAOYSA-N 1 0 360.502 2.400 20 10 FECDRO CS(=O)(=O)N1CC[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC000801522976 674133703 /nfs/dbraw/zinc/13/37/03/674133703.db2.gz HXWCDPYNNJSBKZ-HNNXBMFYSA-N 1 0 364.467 2.269 20 10 FECDRO COc1cccc(C[NH+]2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1O ZINC000091921414 542832703 /nfs/dbraw/zinc/83/27/03/542832703.db2.gz HFMRODWMFJPXKU-GJZGRUSLSA-N 1 0 362.470 2.249 20 10 FECDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011057 542838052 /nfs/dbraw/zinc/83/80/52/542838052.db2.gz XJGKEKJYLPDZAY-UYAOXDASSA-N 1 0 370.497 2.202 20 10 FECDRO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cc(C)c(C)cc2O)CC1 ZINC000092964980 542898939 /nfs/dbraw/zinc/89/89/39/542898939.db2.gz VQSJLHYUKKMMLL-UHFFFAOYSA-N 1 0 362.470 2.243 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCCCOC)cc2F)CC1 ZINC000106702155 543243838 /nfs/dbraw/zinc/24/38/38/543243838.db2.gz LTHVILJHSKLDMA-UHFFFAOYSA-N 1 0 351.466 2.401 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000107325677 543266415 /nfs/dbraw/zinc/26/64/15/543266415.db2.gz VWKGHVKWIJYIDK-HXUWFJFHSA-N 1 0 373.545 2.064 20 10 FECDRO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)Cc1ccccc1O)CC2 ZINC000109773470 543338668 /nfs/dbraw/zinc/33/86/68/543338668.db2.gz NZPVPHFQWRPCBQ-UHFFFAOYSA-N 1 0 370.449 2.426 20 10 FECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000128620792 544062997 /nfs/dbraw/zinc/06/29/97/544062997.db2.gz QXQWPLHAPRSICH-XLIONFOSSA-N 1 0 374.529 2.395 20 10 FECDRO CC[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cc(Br)ccc1O ZINC000128827193 544075409 /nfs/dbraw/zinc/07/54/09/544075409.db2.gz QMXASHSOJQHLDV-CYBMUJFWSA-N 1 0 357.248 2.054 20 10 FECDRO Cc1cc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]n1 ZINC000134259547 544300397 /nfs/dbraw/zinc/30/03/97/544300397.db2.gz FFIZRYFZMPUHBM-OAHLLOKOSA-N 1 0 362.861 2.400 20 10 FECDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805183773 674324538 /nfs/dbraw/zinc/32/45/38/674324538.db2.gz JZTLIGIRRGKJCG-LLVKDONJSA-N 1 0 356.264 2.296 20 10 FECDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805183774 674324617 /nfs/dbraw/zinc/32/46/17/674324617.db2.gz JZTLIGIRRGKJCG-NSHDSACASA-N 1 0 356.264 2.296 20 10 FECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805199448 674325655 /nfs/dbraw/zinc/32/56/55/674325655.db2.gz SZRISMLUZWWGPX-QMTHXVAHSA-N 1 0 368.275 2.437 20 10 FECDRO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000159004753 545913625 /nfs/dbraw/zinc/91/36/25/545913625.db2.gz VVHHGEYCBKSPJS-PXNSSMCTSA-N 1 0 369.513 2.491 20 10 FECDRO COCC[NH+]1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000173398713 546280666 /nfs/dbraw/zinc/28/06/66/546280666.db2.gz IFFWRFZXQYJMPL-UHFFFAOYSA-N 1 0 361.486 2.181 20 10 FECDRO COc1ccc(O)c(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000179858227 547021343 /nfs/dbraw/zinc/02/13/43/547021343.db2.gz TXARPSLJWFALOI-UHFFFAOYSA-N 1 0 362.392 2.487 20 10 FECDRO COc1cc(O)c(CN2CCN(Cc3cccc(O)c3)CC2)cc1OC ZINC000179973977 547034933 /nfs/dbraw/zinc/03/49/33/547034933.db2.gz OPYYYERNHHHLDO-UHFFFAOYSA-N 1 0 358.438 2.433 20 10 FECDRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000182374687 547481021 /nfs/dbraw/zinc/48/10/21/547481021.db2.gz JSPSNTWLRKXWMT-UHFFFAOYSA-N 1 0 373.545 2.066 20 10 FECDRO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000183045724 547591602 /nfs/dbraw/zinc/59/16/02/547591602.db2.gz BABHYQLWGOHDSF-UONOGXRCSA-N 1 0 374.453 2.424 20 10 FECDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000184658256 547861223 /nfs/dbraw/zinc/86/12/23/547861223.db2.gz PRCBLEKMFRGFPN-HNNXBMFYSA-N 1 0 363.477 2.447 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000185194968 547949514 /nfs/dbraw/zinc/94/95/14/547949514.db2.gz ISFVICYSTREFOK-AWEZNQCLSA-N 1 0 364.467 2.338 20 10 FECDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000185879904 548051010 /nfs/dbraw/zinc/05/10/10/548051010.db2.gz PCLDFQGVFNUTHJ-GFCCVEGCSA-N 1 0 356.854 2.069 20 10 FECDRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(F)ccc1O ZINC000186159087 548092567 /nfs/dbraw/zinc/09/25/67/548092567.db2.gz DJYXXFSLHDNJKV-CMPLNLGQSA-N 1 0 359.444 2.078 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)[C@H](C)OC)cc2F)CC1 ZINC000188891584 548290370 /nfs/dbraw/zinc/29/03/70/548290370.db2.gz ULJNZUHTEFONKX-GJZGRUSLSA-N 1 0 366.481 2.190 20 10 FECDRO CN(C)c1noc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000191909375 548352603 /nfs/dbraw/zinc/35/26/03/548352603.db2.gz ZEBCYZIUJLDUJI-UHFFFAOYSA-N 1 0 371.485 2.352 20 10 FECDRO CCOc1cccc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c1O ZINC000263722454 549925602 /nfs/dbraw/zinc/92/56/02/549925602.db2.gz WNNFZEKOIBGHGU-OAHLLOKOSA-N 1 0 359.348 2.064 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000264324258 549994407 /nfs/dbraw/zinc/99/44/07/549994407.db2.gz UYRBZRJMNMEJSU-FQEVSTJZSA-N 1 0 372.513 2.293 20 10 FECDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)n1-c1cccc(C)c1 ZINC000264807574 550001460 /nfs/dbraw/zinc/00/14/60/550001460.db2.gz XNCFJDVXZCMGCE-IBGZPJMESA-N 1 0 354.498 2.378 20 10 FECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264806827 550001511 /nfs/dbraw/zinc/00/15/11/550001511.db2.gz VBTWYYLITPKBBH-FQEVSTJZSA-N 1 0 373.545 2.064 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2F)C[C@@H](C)O1 ZINC000266115346 550017238 /nfs/dbraw/zinc/01/72/38/550017238.db2.gz GVBXHIWNWBDGTJ-HUUCEWRRSA-N 1 0 363.477 2.397 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000268789599 550116416 /nfs/dbraw/zinc/11/64/16/550116416.db2.gz BLDSBADOHBEUDO-WAOWUJCRSA-N 1 0 360.546 2.136 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2F)C[C@@H](C)O1 ZINC000271680135 550394741 /nfs/dbraw/zinc/39/47/41/550394741.db2.gz IIRNBJGBCKPBLJ-FMKPAKJESA-N 1 0 370.490 2.106 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1O ZINC000272456179 550449719 /nfs/dbraw/zinc/44/97/19/550449719.db2.gz XEXJLSQPEMCPBK-GOEBONIOSA-N 1 0 359.875 2.180 20 10 FECDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c(O)c1C ZINC000273390333 550496701 /nfs/dbraw/zinc/49/67/01/550496701.db2.gz KNSVCPPLLWQCFB-AWEZNQCLSA-N 1 0 355.438 2.075 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)cc1OC ZINC000278763470 550819546 /nfs/dbraw/zinc/81/95/46/550819546.db2.gz UBIXXKVZLQXKQP-OAHLLOKOSA-N 1 0 360.458 2.210 20 10 FECDRO COc1c(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000278870701 550831130 /nfs/dbraw/zinc/83/11/30/550831130.db2.gz MVRXYQLCZDQGBT-HNNXBMFYSA-N 1 0 371.393 2.200 20 10 FECDRO CC(=O)N1CCN(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279979676 550949013 /nfs/dbraw/zinc/94/90/13/550949013.db2.gz QLICBZJNQYOGSE-UHFFFAOYSA-N 1 0 372.435 2.025 20 10 FECDRO CCCC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccccc1O ZINC000282518083 551241017 /nfs/dbraw/zinc/24/10/17/551241017.db2.gz STYGNFKDOBGORK-UHFFFAOYSA-N 1 0 362.470 2.406 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC3(CCOCC3)CC1)cc2=O ZINC000284008228 551466720 /nfs/dbraw/zinc/46/67/20/551466720.db2.gz DVLPZQPMPPFAMW-UHFFFAOYSA-N 1 0 374.441 2.004 20 10 FECDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286356811 551878253 /nfs/dbraw/zinc/87/82/53/551878253.db2.gz HFWPVDRNKRUJLD-LJQANCHMSA-N 1 0 374.529 2.092 20 10 FECDRO COc1c(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273718 552293721 /nfs/dbraw/zinc/29/37/21/552293721.db2.gz GNKWEHWKYXXUKY-GHMZBOCLSA-N 1 0 364.320 2.302 20 10 FECDRO CCCOc1ccc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)c(O)c1 ZINC000289410814 552317032 /nfs/dbraw/zinc/31/70/32/552317032.db2.gz HWSVNUCTPDKIIA-UHFFFAOYSA-N 1 0 356.488 2.085 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000290368037 552467877 /nfs/dbraw/zinc/46/78/77/552467877.db2.gz HFTKFJUUCVTXDN-XLIONFOSSA-N 1 0 356.466 2.373 20 10 FECDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000291166686 552595605 /nfs/dbraw/zinc/59/56/05/552595605.db2.gz YWNMFWPRYSJWMD-UHFFFAOYSA-N 1 0 373.545 2.088 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3cncnc3)cc2F)CC1 ZINC000291992862 552682482 /nfs/dbraw/zinc/68/24/82/552682482.db2.gz APKUDKMVEHFPMM-UHFFFAOYSA-N 1 0 371.460 2.007 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1OC ZINC000294002932 552874387 /nfs/dbraw/zinc/87/43/87/552874387.db2.gz MJLIDMPSWKPDLH-SFHVURJKSA-N 1 0 351.443 2.067 20 10 FECDRO COCCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000294951384 552946870 /nfs/dbraw/zinc/94/68/70/552946870.db2.gz QEERCAWBBAFJEP-LBPRGKRZSA-N 1 0 365.854 2.210 20 10 FECDRO Cc1cccc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)c1O ZINC000362043027 554945906 /nfs/dbraw/zinc/94/59/06/554945906.db2.gz VPFGVGPMZUAAPZ-OAHLLOKOSA-N 1 0 352.442 2.145 20 10 FECDRO Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCCN2C)cn1 ZINC000363177510 555046632 /nfs/dbraw/zinc/04/66/32/555046632.db2.gz VHUMSXXZVXUVAX-BFUOFWGJSA-N 1 0 358.442 2.027 20 10 FECDRO O=C(C[N@@H+]1CCC[C@H]1C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363384125 555091203 /nfs/dbraw/zinc/09/12/03/555091203.db2.gz GIKRSVTVGRUTLV-SFHVURJKSA-N 1 0 361.461 2.153 20 10 FECDRO Cc1nccc(CN2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2=O)n1 ZINC000363960217 555222256 /nfs/dbraw/zinc/22/22/56/555222256.db2.gz GCELMOQWBOJILV-SFHVURJKSA-N 1 0 352.438 2.001 20 10 FECDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)cc1F ZINC000364112665 555251753 /nfs/dbraw/zinc/25/17/53/555251753.db2.gz VFEVULQNYZZPJC-HZPDHXFCSA-N 1 0 361.461 2.357 20 10 FECDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000364734124 555388879 /nfs/dbraw/zinc/38/88/79/555388879.db2.gz JDKVFJOOYDLNGM-OPYAIIAOSA-N 1 0 357.498 2.436 20 10 FECDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000364734126 555388919 /nfs/dbraw/zinc/38/89/19/555388919.db2.gz JDKVFJOOYDLNGM-WAOWUJCRSA-N 1 0 357.498 2.436 20 10 FECDRO CCC[NH+]1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000364985155 555457182 /nfs/dbraw/zinc/45/71/82/555457182.db2.gz IQKKDBOTPPMSCD-GQCTYLIASA-N 1 0 373.497 2.130 20 10 FECDRO O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000366324256 555812136 /nfs/dbraw/zinc/81/21/36/555812136.db2.gz NTYZGYPHIQCHJL-DOMZBBRYSA-N 1 0 357.376 2.280 20 10 FECDRO Cc1cccc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1O ZINC000367817671 556146949 /nfs/dbraw/zinc/14/69/49/556146949.db2.gz FEFBCCJPKSVCMR-QGZVFWFLSA-N 1 0 351.406 2.354 20 10 FECDRO OCC1([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]2CCCO2)CCC1 ZINC000367960153 556182769 /nfs/dbraw/zinc/18/27/69/556182769.db2.gz XIIOTMICVUNNHV-WOJBJXKFSA-N 1 0 360.498 2.323 20 10 FECDRO COc1cc(O)c(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1OC ZINC000371426964 557183346 /nfs/dbraw/zinc/18/33/46/557183346.db2.gz RTRXFMHZMYKINZ-UHFFFAOYSA-N 1 0 364.486 2.485 20 10 FECDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000372030840 557362001 /nfs/dbraw/zinc/36/20/01/557362001.db2.gz KGDGXDFOMFLHIU-ZDUSSCGKSA-N 1 0 350.806 2.261 20 10 FECDRO CCOc1cccc(C[N@H+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1O ZINC000372428743 557468264 /nfs/dbraw/zinc/46/82/64/557468264.db2.gz QOCOLGWTPHNJHZ-IYBDPMFKSA-N 1 0 372.469 2.300 20 10 FECDRO CN1CCN(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C(=O)C1 ZINC000373124244 557633670 /nfs/dbraw/zinc/63/36/70/557633670.db2.gz KPVHKYJJHLRRTQ-UHFFFAOYSA-N 1 0 353.466 2.284 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c(O)c1 ZINC000375179174 557987921 /nfs/dbraw/zinc/98/79/21/557987921.db2.gz WLZFEELWCMSHJI-OAHLLOKOSA-N 1 0 374.441 2.396 20 10 FECDRO COc1cc(Cl)cc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000375202372 557991230 /nfs/dbraw/zinc/99/12/30/557991230.db2.gz QIPNCYXENDBEMS-INIZCTEOSA-N 1 0 353.894 2.266 20 10 FECDRO COC(=O)c1ccnc(N2CCC([NH2+]Cc3cc(OC)ccc3O)CC2)c1 ZINC000376856325 558230263 /nfs/dbraw/zinc/23/02/63/558230263.db2.gz OBFYKNSVKOZLKI-UHFFFAOYSA-N 1 0 371.437 2.341 20 10 FECDRO O=C(C[N@@H+]1C[C@H]2CCCC[C@H]21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000377767514 558416189 /nfs/dbraw/zinc/41/61/89/558416189.db2.gz NNBRMLSEPYAZCY-SJLPKXTDSA-N 1 0 361.461 2.153 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)cc1 ZINC000378470277 558564984 /nfs/dbraw/zinc/56/49/84/558564984.db2.gz AAFUWEBFPUNKGQ-WMZOPIPTSA-N 1 0 355.486 2.186 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000378470831 558565053 /nfs/dbraw/zinc/56/50/53/558565053.db2.gz BZRLNEMRVCYNLP-AEFFLSMTSA-N 1 0 369.513 2.311 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C(C)(C)C(N)=O)C1 ZINC000452628768 560369545 /nfs/dbraw/zinc/36/95/45/560369545.db2.gz SXUNLGDSEFVNAN-UHFFFAOYSA-N 1 0 370.497 2.130 20 10 FECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c2c1c(F)ccc2O ZINC000527955347 562309537 /nfs/dbraw/zinc/30/95/37/562309537.db2.gz NPAPXKCTMJYPBR-WAWZGNHOSA-N 1 0 364.461 2.285 20 10 FECDRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O ZINC000527957093 562309659 /nfs/dbraw/zinc/30/96/59/562309659.db2.gz RSLSQSJXQFIKNJ-UGSOOPFHSA-N 1 0 354.878 2.312 20 10 FECDRO CNC(=O)[C@H](CCSC)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000806664051 674385775 /nfs/dbraw/zinc/38/57/75/674385775.db2.gz YQTSRGIMYJQCAJ-KRWDZBQOSA-N 1 0 351.516 2.121 20 10 FECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000808766309 674471474 /nfs/dbraw/zinc/47/14/74/674471474.db2.gz PTSLRCDONJELND-MRXNPFEDSA-N 1 0 351.516 2.046 20 10 FECDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cc(OC)ccc2O)CC1 ZINC000809786207 674510023 /nfs/dbraw/zinc/51/00/23/674510023.db2.gz TXDJPNFGTPHGDO-CQSZACIVSA-N 1 0 370.515 2.283 20 10 FECDRO Oc1ccccc1C[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000826511223 608872740 /nfs/dbraw/zinc/87/27/40/608872740.db2.gz HLYHPPDKJOHKKM-UHFFFAOYSA-N 1 0 354.389 2.034 20 10 FECDRO O=C(NCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(F)(F)F ZINC000091619272 670729664 /nfs/dbraw/zinc/72/96/64/670729664.db2.gz HXGPRTPLDYCNIX-CQSZACIVSA-N 1 0 360.376 2.442 20 10 FECDRO C[NH+]1CCN(C[C@H](O)COc2ccc(N3CCCCC3)c(Cl)c2)CC1 ZINC000817570923 675148056 /nfs/dbraw/zinc/14/80/56/675148056.db2.gz JWRKRMLWHMOSLE-INIZCTEOSA-N 1 0 367.921 2.317 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000182348342 672443696 /nfs/dbraw/zinc/44/36/96/672443696.db2.gz GIJMIQKBVFDLJF-CYBMUJFWSA-N 1 0 360.435 2.397 20 10 FECDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000734846871 673474357 /nfs/dbraw/zinc/47/43/57/673474357.db2.gz SXGSGWDDNSIPTN-SFHVURJKSA-N 1 0 351.447 2.462 20 10 FECDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715537 675665282 /nfs/dbraw/zinc/66/52/82/675665282.db2.gz ADUDIXOQSIXXQC-DOMZBBRYSA-N 1 0 374.275 2.001 20 10 FECDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825885447 675672796 /nfs/dbraw/zinc/67/27/96/675672796.db2.gz GRCNAXRJIWDXOR-DOMZBBRYSA-N 1 0 355.276 2.450 20 10 FECDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828306205 675812040 /nfs/dbraw/zinc/81/20/40/675812040.db2.gz OWRHMBUUEUEJIR-GOSISDBHSA-N 1 0 365.543 2.499 20 10 FECDRO C[NH+](C)C1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000829026444 675860061 /nfs/dbraw/zinc/86/00/61/675860061.db2.gz KLAKJFGKDLQDKS-ZDUSSCGKSA-N 1 0 353.413 2.467 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCSC3)CC2)cc1 ZINC000761832590 680732386 /nfs/dbraw/zinc/73/23/86/680732386.db2.gz RHXLYBFGGLLQKX-INIZCTEOSA-N 1 0 363.527 2.077 20 10 FECDRO C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[N@@H+]1C1CC1 ZINC000762097447 680740412 /nfs/dbraw/zinc/74/04/12/680740412.db2.gz TXYVAMWOZWKVLJ-IAQYHMDHSA-N 1 0 363.845 2.435 20 10 FECDRO Cc1cnn(C)c1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000839708767 680773494 /nfs/dbraw/zinc/77/34/94/680773494.db2.gz NCEJXFFLAGYOEX-HNNXBMFYSA-N 1 0 362.861 2.482 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000840827392 680845165 /nfs/dbraw/zinc/84/51/65/680845165.db2.gz ISTRYCLQFCWDGL-ZIAGYGMSSA-N 1 0 351.878 2.353 20 10 FECDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765732153 680853037 /nfs/dbraw/zinc/85/30/37/680853037.db2.gz GUCCTWXUWKRCNO-HZPDHXFCSA-N 1 0 351.466 2.034 20 10 FECDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840940088 680855304 /nfs/dbraw/zinc/85/53/04/680855304.db2.gz VFJCQUQFEOFSOO-UHFFFAOYSA-N 1 0 353.532 2.212 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2csc([C@H]3CCCO3)n2)cc1 ZINC000832267715 680119057 /nfs/dbraw/zinc/11/90/57/680119057.db2.gz ZNHRIJWQXZCQGZ-GOEBONIOSA-N 1 0 360.483 2.490 20 10 FECDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000834519597 680237608 /nfs/dbraw/zinc/23/76/08/680237608.db2.gz XIWZXZALUPVHJK-HNNXBMFYSA-N 1 0 352.450 2.336 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835073580 680293214 /nfs/dbraw/zinc/29/32/14/680293214.db2.gz NMIGKQSAMPDVDG-CHWSQXEVSA-N 1 0 369.259 2.406 20 10 FECDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000757705074 680532908 /nfs/dbraw/zinc/53/29/08/680532908.db2.gz MCDXUIFMMMKUFY-ZDUSSCGKSA-N 1 0 356.488 2.113 20 10 FECDRO C[C@]1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCC[NH2+]C1 ZINC000841706159 680908115 /nfs/dbraw/zinc/90/81/15/680908115.db2.gz CMOXRYRIXBCBJW-IBGZPJMESA-N 1 0 362.543 2.429 20 10 FECDRO O=C(NCCC1=CC[NH2+]CC1)NCc1ccc(N2CCSCC2)cc1 ZINC000841709471 680908525 /nfs/dbraw/zinc/90/85/25/680908525.db2.gz HAIBMKBARIYPEW-UHFFFAOYSA-N 1 0 360.527 2.349 20 10 FECDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841783115 680912170 /nfs/dbraw/zinc/91/21/70/680912170.db2.gz WGDMYXAZYGCNTP-VXGBXAGGSA-N 1 0 356.417 2.292 20 10 FECDRO CC(C)(C[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841844332 680914511 /nfs/dbraw/zinc/91/45/11/680914511.db2.gz XFEIXZXQVOOUTG-LBPRGKRZSA-N 1 0 356.417 2.293 20 10 FECDRO O=S1(=O)C[C@@H](C[NH2+]Cc2c(O)cccc2Cl)Oc2ccccc21 ZINC000842723131 680962299 /nfs/dbraw/zinc/96/22/99/680962299.db2.gz XTOMRDJSYRRGTM-LLVKDONJSA-N 1 0 353.827 2.370 20 10 FECDRO COc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000842785127 680966302 /nfs/dbraw/zinc/96/63/02/680966302.db2.gz PJWRXPREPTYOIK-KRWDZBQOSA-N 1 0 363.483 2.048 20 10 FECDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000842785861 680966539 /nfs/dbraw/zinc/96/65/39/680966539.db2.gz RJMVKIIDYKHXSI-HNNXBMFYSA-N 1 0 353.513 2.409 20 10 FECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c(O)c1 ZINC000769003818 680967551 /nfs/dbraw/zinc/96/75/51/680967551.db2.gz GKPBBTGNFFREQN-HOCLYGCPSA-N 1 0 350.459 2.154 20 10 FECDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000843488247 681006594 /nfs/dbraw/zinc/00/65/94/681006594.db2.gz VIALWRMKYWHAMQ-CVEARBPZSA-N 1 0 355.429 2.243 20 10 FECDRO CCOCc1cc(C[NH2+][C@]2(CC(=O)OC)CCCOC2)ccc1OC ZINC000770676776 681023503 /nfs/dbraw/zinc/02/35/03/681023503.db2.gz IGSXXVPDEYKRSD-IBGZPJMESA-N 1 0 351.443 2.434 20 10 FECDRO Fc1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)ccc1N1CCOCC1 ZINC000770751770 681026421 /nfs/dbraw/zinc/02/64/21/681026421.db2.gz BKOUBGPMABQAGO-VQIMIIECSA-N 1 0 350.434 2.090 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2F)C[C@@H](C)O1 ZINC000844173437 681043068 /nfs/dbraw/zinc/04/30/68/681043068.db2.gz BFGGYASFFRZGRA-PBFPGSCMSA-N 1 0 351.466 2.429 20 10 FECDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000844401744 681056664 /nfs/dbraw/zinc/05/66/64/681056664.db2.gz PLNFEAXLMCAHQM-OAHLLOKOSA-N 1 0 359.392 2.226 20 10 FECDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)S(C)(=O)=O ZINC000773102686 681125721 /nfs/dbraw/zinc/12/57/21/681125721.db2.gz HSPZFKKWYQGJAQ-OLZOCXBDSA-N 1 0 360.907 2.260 20 10 FECDRO CC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000846035532 681176026 /nfs/dbraw/zinc/17/60/26/681176026.db2.gz VIOGCQCEBDRMNP-YPMHNXCESA-N 1 0 366.405 2.486 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000846111149 681184104 /nfs/dbraw/zinc/18/41/04/681184104.db2.gz RSUBOZYXFKVSQJ-OAHLLOKOSA-N 1 0 360.248 2.185 20 10 FECDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846147534 681189495 /nfs/dbraw/zinc/18/94/95/681189495.db2.gz VQFZLPATHUNJRK-GFCCVEGCSA-N 1 0 350.440 2.160 20 10 FECDRO Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000775712822 681326950 /nfs/dbraw/zinc/32/69/50/681326950.db2.gz JLLOSHXINFJEAO-NSHDSACASA-N 1 0 362.289 2.330 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c1O ZINC000848525269 681571347 /nfs/dbraw/zinc/57/13/47/681571347.db2.gz LCASKVFTUQNQHX-NXEZZACHSA-N 1 0 355.236 2.494 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000848535213 681573633 /nfs/dbraw/zinc/57/36/33/681573633.db2.gz BMCDMGPMYQQERV-IUCAKERBSA-N 1 0 366.277 2.247 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000848548916 681575524 /nfs/dbraw/zinc/57/55/24/681575524.db2.gz MCZHKJIETGHDQJ-IUCAKERBSA-N 1 0 363.227 2.288 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)c1O ZINC000848555163 681577827 /nfs/dbraw/zinc/57/78/27/681577827.db2.gz MEPLSLRKKSKJMT-ZUZCIYMTSA-N 1 0 360.248 2.355 20 10 FECDRO COCCN(Cc1cc(Cl)cc(OC)c1O)C[C@H](O)C(F)(F)F ZINC000848922081 681642228 /nfs/dbraw/zinc/64/22/28/681642228.db2.gz LWJNEAKRGMWMRT-LBPRGKRZSA-N 1 0 357.756 2.426 20 10 FECDRO COc1cc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850225430 681869982 /nfs/dbraw/zinc/86/99/82/681869982.db2.gz LYXNDCNMGQQWOJ-CQSZACIVSA-N 1 0 370.515 2.212 20 10 FECDRO CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000850356207 681890292 /nfs/dbraw/zinc/89/02/92/681890292.db2.gz QDYREEHCEYJJJX-HKUYNNGSSA-N 1 0 366.527 2.216 20 10 FECDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850355695 681890532 /nfs/dbraw/zinc/89/05/32/681890532.db2.gz KGJHKLDGUUSXLW-YWTKSJFSSA-N 1 0 354.491 2.442 20 10 FECDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@H](C)S(=O)(=O)C3)CC2)cc1 ZINC000850369471 681894132 /nfs/dbraw/zinc/89/41/32/681894132.db2.gz KPSUSIQKJGVGFR-HOCLYGCPSA-N 1 0 352.500 2.219 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c1O ZINC000850510987 681910342 /nfs/dbraw/zinc/91/03/42/681910342.db2.gz ZANMREMSZGYFLB-WBMJQRKESA-N 1 0 374.275 2.282 20 10 FECDRO CCc1ccc(CS(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000850585865 681918802 /nfs/dbraw/zinc/91/88/02/681918802.db2.gz CJPRUBMHCNLRAD-LJQANCHMSA-N 1 0 361.511 2.434 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1O ZINC000788467439 682531848 /nfs/dbraw/zinc/53/18/48/682531848.db2.gz HKGIJTPCPYZEJA-ZWKOTPCHSA-N 1 0 350.434 2.467 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3nc(C)ns3)cc2F)CC1 ZINC000790052597 682652385 /nfs/dbraw/zinc/65/23/85/682652385.db2.gz KWPRBVZARBYUEO-UHFFFAOYSA-N 1 0 363.462 2.058 20 10 FECDRO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(=O)OC ZINC000790788476 682701721 /nfs/dbraw/zinc/70/17/21/682701721.db2.gz YUJAZIBLUZOXTB-GJZGRUSLSA-N 1 0 368.861 2.325 20 10 FECDRO CC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(C)cc1O ZINC000794803561 682997140 /nfs/dbraw/zinc/99/71/40/682997140.db2.gz ALCQEAFMPMYUIV-KRWDZBQOSA-N 1 0 354.516 2.250 20 10 FECDRO COC(=O)[C@]12C[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C[C@H]1COCC2 ZINC000796520029 683167875 /nfs/dbraw/zinc/16/78/75/683167875.db2.gz LBUGATUTAWROAI-SCLBCKFNSA-N 1 0 367.829 2.260 20 10 FECDRO C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000927033721 683201002 /nfs/dbraw/zinc/20/10/02/683201002.db2.gz PZRGFOLXQNAPBA-QAPCUYQASA-N 1 0 354.516 2.123 20 10 FECDRO O=C(CCc1cn[nH]c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000863897788 683785423 /nfs/dbraw/zinc/78/54/23/683785423.db2.gz VZKYYZDRCMCRIP-INIZCTEOSA-N 1 0 362.861 2.482 20 10 FECDRO C[C@@H]([NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1O ZINC000931553313 684302304 /nfs/dbraw/zinc/30/23/04/684302304.db2.gz BKUADNSIGKQSIV-CJNGLKHVSA-N 1 0 370.515 2.044 20 10 FECDRO Cc1csc2nc(CC(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cn12 ZINC000870932503 684772969 /nfs/dbraw/zinc/77/29/69/684772969.db2.gz GSCDOEZHYBDKTH-INIZCTEOSA-N 1 0 357.483 2.129 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)CC(C)(C)O)cc2F)C[C@H](C)O1 ZINC000872201101 684926812 /nfs/dbraw/zinc/92/68/12/684926812.db2.gz OCQJRBLQMCCZQE-IJEWVQPXSA-N 1 0 354.466 2.051 20 10 FECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)c2c1 ZINC000872797196 685017115 /nfs/dbraw/zinc/01/71/15/685017115.db2.gz XLUIBCFARKGKMP-GJZGRUSLSA-N 1 0 361.463 2.421 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876699419 686246589 /nfs/dbraw/zinc/24/65/89/686246589.db2.gz YJYPLHAYWZSFGM-YGRLFVJLSA-N 1 0 359.239 2.451 20 10 FECDRO O[C@H]([C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571646 686411979 /nfs/dbraw/zinc/41/19/79/686411979.db2.gz GVQRKFIJBIKUAV-RHSMWYFYSA-N 1 0 358.404 2.393 20 10 FECDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)CCC1(F)F ZINC000877695944 686439476 /nfs/dbraw/zinc/43/94/76/686439476.db2.gz HLPNOYZUXSSXMN-GFCCVEGCSA-N 1 0 359.369 2.430 20 10 FECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)CC2(O)CCOCC2)cc1 ZINC000877922825 686483178 /nfs/dbraw/zinc/48/31/78/686483178.db2.gz VPDFWMVKWQQJNC-IBGZPJMESA-N 1 0 350.503 2.257 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3cnccc3Cl)cc2)CC1 ZINC000881852722 687234143 /nfs/dbraw/zinc/23/41/43/687234143.db2.gz CGWBGZFCQOGKLI-UHFFFAOYSA-N 1 0 358.873 2.346 20 10 FECDRO CN(OCC(F)(F)F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889659630 688803708 /nfs/dbraw/zinc/80/37/08/688803708.db2.gz ZYWPMAIINNSAED-UHFFFAOYSA-N 1 0 360.380 2.074 20 10 FECDRO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1OC ZINC000892113086 689152098 /nfs/dbraw/zinc/15/20/98/689152098.db2.gz VSMYQKITFHZZBG-UKRRQHHQSA-N 1 0 357.472 2.197 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892613713 689218783 /nfs/dbraw/zinc/21/87/83/689218783.db2.gz YGAITNGOOOEMQU-GOEBONIOSA-N 1 0 354.541 2.153 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000894502869 689543820 /nfs/dbraw/zinc/54/38/20/689543820.db2.gz WRVFNXLPEHNQMD-QWHCGFSZSA-N 1 0 356.488 2.112 20 10 FECDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)c(O)c1OC ZINC000895374463 689705043 /nfs/dbraw/zinc/70/50/43/689705043.db2.gz SSMCWWVUKKEXOM-UHFFFAOYSA-N 1 0 357.472 2.247 20 10 FECDRO COc1cc(O)c(C[NH2+]Cc2cnc(Br)cn2)cc1OC ZINC000895409009 689711078 /nfs/dbraw/zinc/71/10/78/689711078.db2.gz RCFYWJXVKRAJNR-UHFFFAOYSA-N 1 0 354.204 2.252 20 10 FECDRO COc1ncc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000895814631 689774343 /nfs/dbraw/zinc/77/43/43/689774343.db2.gz SCYGGASISFHLJX-UHFFFAOYSA-N 1 0 360.483 2.143 20 10 FECDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)CC1 ZINC000895814406 689774575 /nfs/dbraw/zinc/77/45/75/689774575.db2.gz RRXRISWLQGGERO-UHFFFAOYSA-N 1 0 359.861 2.122 20 10 FECDRO CO[C@]12CCC[C@@]1([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000896413858 689871332 /nfs/dbraw/zinc/87/13/32/689871332.db2.gz XXLVKURWEBEHEI-MOPGFXCFSA-N 1 0 350.434 2.438 20 10 FECDRO CS[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1[NH+](C)C ZINC000897238007 689992918 /nfs/dbraw/zinc/99/29/18/689992918.db2.gz SZNFMXOUCNJAOX-MEBBXXQBSA-N 1 0 352.481 2.430 20 10 FECDRO COc1cccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c1O ZINC000897274395 689998964 /nfs/dbraw/zinc/99/89/64/689998964.db2.gz JJSRVIWCNDJMCP-UHFFFAOYSA-N 1 0 368.499 2.181 20 10 FECDRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000902523091 690774486 /nfs/dbraw/zinc/77/44/86/690774486.db2.gz IJCGUQHDAHNKFS-GFCCVEGCSA-N 1 0 364.467 2.128 20 10 FECDRO Cc1cc(O)c(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)cc1C ZINC000023615836 539716507 /nfs/dbraw/zinc/71/65/07/539716507.db2.gz RWBRHAASIYBIGR-UHFFFAOYSA-N 1 0 352.442 2.008 20 10 FECDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054787081 540609925 /nfs/dbraw/zinc/60/99/25/540609925.db2.gz DWTJLPSBAKWSTB-QGZVFWFLSA-N 1 0 360.502 2.197 20 10 FECDRO O=S1(=O)CCC(CC[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825379950 675649646 /nfs/dbraw/zinc/64/96/46/675649646.db2.gz VBPTZQOPCYZHQS-UHFFFAOYSA-N 1 0 362.289 2.459 20 10 FECDRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000090769395 542788410 /nfs/dbraw/zinc/78/84/10/542788410.db2.gz NYOAEPHVOYTXPL-CJNGLKHVSA-N 1 0 368.524 2.300 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(O)c1 ZINC000092044955 542841532 /nfs/dbraw/zinc/84/15/32/542841532.db2.gz DEVNZMQKKYCANN-KRWDZBQOSA-N 1 0 368.499 2.181 20 10 FECDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000093017476 542902905 /nfs/dbraw/zinc/90/29/05/542902905.db2.gz GRXPAKJEKCKPMT-HXUWFJFHSA-N 1 0 359.514 2.067 20 10 FECDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093663791 542937622 /nfs/dbraw/zinc/93/76/22/542937622.db2.gz QKDXXKVRVJDFFW-ZDUSSCGKSA-N 1 0 355.276 2.309 20 10 FECDRO CCOCCCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702166 543243503 /nfs/dbraw/zinc/24/35/03/543243503.db2.gz BODBBAPPKGNIIP-UHFFFAOYSA-N 1 0 351.466 2.401 20 10 FECDRO COCCN1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000154886837 544962578 /nfs/dbraw/zinc/96/25/78/544962578.db2.gz YFCVBOFPOVVPHV-INIZCTEOSA-N 1 0 365.493 2.424 20 10 FECDRO CC[N@H+](CCNC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000805076065 674317400 /nfs/dbraw/zinc/31/74/00/674317400.db2.gz NIVNNFJZWIXEOJ-UHFFFAOYSA-N 1 0 356.264 2.438 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156230988 545610424 /nfs/dbraw/zinc/61/04/24/545610424.db2.gz VJANCBHTYGRPKW-IEBWSBKVSA-N 1 0 361.486 2.302 20 10 FECDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2N1 ZINC000161934294 546135599 /nfs/dbraw/zinc/13/55/99/546135599.db2.gz RGSJBMXEOBVJER-IUODEOHRSA-N 1 0 372.425 2.379 20 10 FECDRO Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(O)c1O ZINC000177680061 546666733 /nfs/dbraw/zinc/66/67/33/546666733.db2.gz SWPILIGBYUGPLD-HUUCEWRRSA-N 1 0 362.470 2.368 20 10 FECDRO Cc1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c(C)n1-c1ccccn1 ZINC000179751075 547007256 /nfs/dbraw/zinc/00/72/56/547007256.db2.gz BWFDKAOFMZYDFL-UHFFFAOYSA-N 1 0 370.497 2.408 20 10 FECDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000181118410 547254451 /nfs/dbraw/zinc/25/44/51/547254451.db2.gz WGLXTIYAJCHRAL-UHFFFAOYSA-N 1 0 353.532 2.292 20 10 FECDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccccc1O ZINC000183608415 547688559 /nfs/dbraw/zinc/68/85/59/547688559.db2.gz HKONNPIKBDHWRN-CQSZACIVSA-N 1 0 368.499 2.016 20 10 FECDRO CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157756 548318550 /nfs/dbraw/zinc/31/85/50/548318550.db2.gz KDICTWLDCFKXPE-QZTJIDSGSA-N 1 0 358.442 2.177 20 10 FECDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193150902 548381408 /nfs/dbraw/zinc/38/14/08/548381408.db2.gz NDYWYGGICPTYPA-UHFFFAOYSA-N 1 0 350.459 2.308 20 10 FECDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000265849423 550015077 /nfs/dbraw/zinc/01/50/77/550015077.db2.gz HXGBSUNIMAXKGV-JKSUJKDBSA-N 1 0 370.490 2.108 20 10 FECDRO Cc1cc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c(C)n1-c1ccccn1 ZINC000268431451 550064986 /nfs/dbraw/zinc/06/49/86/550064986.db2.gz DFLMGWJFPRCRSD-UHFFFAOYSA-N 1 0 370.497 2.454 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000269229117 550169971 /nfs/dbraw/zinc/16/99/71/550169971.db2.gz BRPQWNBZCGTTKJ-TYPHKJRUSA-N 1 0 371.525 2.432 20 10 FECDRO COc1ccc(C[N@H+](CCO)Cc2cc3c(cc2O)OCO3)c(OC)c1 ZINC000271174474 550348184 /nfs/dbraw/zinc/34/81/84/550348184.db2.gz JRLCONUNLSLLKB-UHFFFAOYSA-N 1 0 361.394 2.133 20 10 FECDRO CC[C@@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)c1nccn1C ZINC000271651299 550392255 /nfs/dbraw/zinc/39/22/55/550392255.db2.gz BGJGMJYVFMWSGD-LJQANCHMSA-N 1 0 357.502 2.292 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000271855317 550406341 /nfs/dbraw/zinc/40/63/41/550406341.db2.gz SDIOZJVDOUFDHX-QWHCGFSZSA-N 1 0 361.394 2.220 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000271983962 550414861 /nfs/dbraw/zinc/41/48/61/550414861.db2.gz KBKFYNFGCVWWCR-HKUYNNGSSA-N 1 0 366.527 2.359 20 10 FECDRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cc(F)ccc3O)CC2)n1 ZINC000272442188 550448488 /nfs/dbraw/zinc/44/84/88/550448488.db2.gz ORXCCIAWBXZDHY-CYBMUJFWSA-N 1 0 364.421 2.330 20 10 FECDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c(O)c1C ZINC000273501043 550500589 /nfs/dbraw/zinc/50/05/89/550500589.db2.gz QEHLTPVEPJORQY-HOTGVXAUSA-N 1 0 370.515 2.148 20 10 FECDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1c(F)ccc(O)c1O ZINC000276672612 550583816 /nfs/dbraw/zinc/58/38/16/550583816.db2.gz ZOERKCMLICRYGF-UHFFFAOYSA-N 1 0 352.406 2.002 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)cc2=O ZINC000278723518 550815189 /nfs/dbraw/zinc/81/51/89/550815189.db2.gz KUQRLHIFYPSKHZ-SNVBAGLBSA-N 1 0 372.347 2.386 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279008766 550846222 /nfs/dbraw/zinc/84/62/22/550846222.db2.gz LJUVWSROCRTEFQ-HXUWFJFHSA-N 1 0 357.498 2.138 20 10 FECDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000281381027 551090387 /nfs/dbraw/zinc/09/03/87/551090387.db2.gz WEGVFIFAEMTDMF-IBGZPJMESA-N 1 0 367.442 2.201 20 10 FECDRO CCCC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1O ZINC000282500318 551237915 /nfs/dbraw/zinc/23/79/15/551237915.db2.gz QUMDMWRFSMRLIE-UHFFFAOYSA-N 1 0 373.497 2.075 20 10 FECDRO O=S1(=O)CCC[C@@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000283949853 551455820 /nfs/dbraw/zinc/45/58/20/551455820.db2.gz DKVRQZDUVINOMM-RDJZCZTQSA-N 1 0 353.484 2.198 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285619237 551784201 /nfs/dbraw/zinc/78/42/01/551784201.db2.gz JRAQFULSLAVAFO-CHWSQXEVSA-N 1 0 354.472 2.008 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289227767 552285757 /nfs/dbraw/zinc/28/57/57/552285757.db2.gz LSSZHMDUAJVFCN-XBGMYJNYSA-N 1 0 355.482 2.139 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(CCF)CC3)CC2)cc1 ZINC000289345172 552304624 /nfs/dbraw/zinc/30/46/24/552304624.db2.gz JWJZEJLPMLJXJD-UHFFFAOYSA-N 1 0 363.477 2.463 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)cc1 ZINC000289482923 552328690 /nfs/dbraw/zinc/32/86/90/552328690.db2.gz QTHPJIDGGMNBMT-UHFFFAOYSA-N 1 0 353.532 2.437 20 10 FECDRO COCc1noc(CN2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000294663050 552924788 /nfs/dbraw/zinc/92/47/88/552924788.db2.gz LOYGMQJMDBDUQG-UHFFFAOYSA-N 1 0 370.812 2.032 20 10 FECDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000294805557 552935549 /nfs/dbraw/zinc/93/55/49/552935549.db2.gz NIEMNHNLBGSVSF-UHFFFAOYSA-N 1 0 373.409 2.331 20 10 FECDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(Br)ccc3O)C2)cn1 ZINC000361014200 554900250 /nfs/dbraw/zinc/90/02/50/554900250.db2.gz YNLYNEVBPGHUJS-CYBMUJFWSA-N 1 0 351.248 2.257 20 10 FECDRO Cc1nc(CN(C)[C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000364675696 555371267 /nfs/dbraw/zinc/37/12/67/555371267.db2.gz TXVDAJUIMLNOAJ-OAHLLOKOSA-N 1 0 374.441 2.299 20 10 FECDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338936 555547844 /nfs/dbraw/zinc/54/78/44/555547844.db2.gz SHTRDQSZIAQXJI-BPQIPLTHSA-N 1 0 361.486 2.423 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1OC ZINC000368405412 556298597 /nfs/dbraw/zinc/29/85/97/556298597.db2.gz YPORTJJWGUCAFB-VBKZILBWSA-N 1 0 374.485 2.316 20 10 FECDRO Cc1nccc(CN2CCC[C@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2=O)n1 ZINC000369892876 556723091 /nfs/dbraw/zinc/72/30/91/556723091.db2.gz MYLOEXBQXRTGSS-PXAZEXFGSA-N 1 0 358.417 2.472 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000370865209 556995155 /nfs/dbraw/zinc/99/51/55/556995155.db2.gz OOQBBTNCZHMPCQ-MISYRCLQSA-N 1 0 359.514 2.456 20 10 FECDRO CN1CCc2cc(C[NH2+][C@H]3CCN(c4ccccc4C(N)=O)C3)ccc21 ZINC000370964808 557029321 /nfs/dbraw/zinc/02/93/21/557029321.db2.gz HHHNSAUMWAREEU-KRWDZBQOSA-N 1 0 350.466 2.146 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000371084773 557069950 /nfs/dbraw/zinc/06/99/50/557069950.db2.gz HPLJTENYWACXKR-UHFFFAOYSA-N 1 0 368.499 2.227 20 10 FECDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000371554481 557220359 /nfs/dbraw/zinc/22/03/59/557220359.db2.gz QFLVPZFAXZXFEI-UYLUUYTCSA-N 1 0 355.482 2.089 20 10 FECDRO C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000374516379 557893687 /nfs/dbraw/zinc/89/36/87/557893687.db2.gz XHGSIMVHARUJAA-CWFSZBLJSA-N 1 0 357.498 2.452 20 10 FECDRO Cc1cc(Cl)cc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)c1O ZINC000374749080 557924892 /nfs/dbraw/zinc/92/48/92/557924892.db2.gz CCJOOGAJCCNINL-UHFFFAOYSA-N 1 0 351.878 2.092 20 10 FECDRO C[NH+]1CCC2(CCCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)CC1 ZINC000375999303 558111979 /nfs/dbraw/zinc/11/19/79/558111979.db2.gz KEUSJFBNLLURTF-UHFFFAOYSA-N 1 0 360.414 2.238 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1F ZINC000377651489 558387111 /nfs/dbraw/zinc/38/71/11/558387111.db2.gz ULIPTHQVRSJLTD-OAHLLOKOSA-N 1 0 356.445 2.359 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000377695848 558399414 /nfs/dbraw/zinc/39/94/14/558399414.db2.gz KGEMPDJEWTUDIE-UHFFFAOYSA-N 1 0 371.437 2.328 20 10 FECDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000378442625 558558391 /nfs/dbraw/zinc/55/83/91/558558391.db2.gz KSGQCWSEUZLRFO-GASCZTMLSA-N 1 0 362.470 2.249 20 10 FECDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000806662922 674385728 /nfs/dbraw/zinc/38/57/28/674385728.db2.gz JIOOIMJLVAXEFX-BBRMVZONSA-N 1 0 369.506 2.181 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000825643965 607567588 /nfs/dbraw/zinc/56/75/88/607567588.db2.gz YOGGQEYYWRPHJC-UHFFFAOYSA-N 1 0 355.398 2.269 20 10 FECDRO C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000105152296 670798391 /nfs/dbraw/zinc/79/83/91/670798391.db2.gz YHEVUNDXLWHATH-SFHVURJKSA-N 1 0 362.543 2.475 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCS[C@H](C)[C@@H]3C)CC2)cc1 ZINC000112643893 670874758 /nfs/dbraw/zinc/87/47/58/670874758.db2.gz QSCQTUCPGOTZEF-JKSUJKDBSA-N 1 0 363.527 2.170 20 10 FECDRO COc1cc(Br)cc(CN2CC[NH+](CC(C)(C)O)CC2)c1O ZINC000129953242 672068483 /nfs/dbraw/zinc/06/84/83/672068483.db2.gz OGVCQFFQWODNND-UHFFFAOYSA-N 1 0 373.291 2.052 20 10 FECDRO C[C@H]1C[NH+](CCCNC(=O)NCCCSc2nccs2)C[C@H](C)O1 ZINC000151944865 672172439 /nfs/dbraw/zinc/17/24/39/672172439.db2.gz JDVFJBQSHBRYFG-KBPBESRZSA-N 1 0 372.560 2.424 20 10 FECDRO CCCC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160769937 672293552 /nfs/dbraw/zinc/29/35/52/672293552.db2.gz ZWHLZHRXIYEYHK-IBGZPJMESA-N 1 0 366.527 2.312 20 10 FECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(NS(C)(=O)=O)c1 ZINC000725849773 673094659 /nfs/dbraw/zinc/09/46/59/673094659.db2.gz XJTKFEAYGXXFJZ-NSHDSACASA-N 1 0 364.423 2.343 20 10 FECDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3=CC(=O)CS3)cc2)C1 ZINC000732283576 673361878 /nfs/dbraw/zinc/36/18/78/673361878.db2.gz OVEXNSBRJIIBPS-CYBMUJFWSA-N 1 0 359.451 2.403 20 10 FECDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000742804724 673738708 /nfs/dbraw/zinc/73/87/08/673738708.db2.gz AZUWBTKYEYFCAW-KGLIPLIRSA-N 1 0 353.413 2.325 20 10 FECDRO C[NH+](C)CCNC(=S)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743016167 673745182 /nfs/dbraw/zinc/74/51/82/673745182.db2.gz TUXUAJKTAXYWKL-CYBMUJFWSA-N 1 0 372.485 2.283 20 10 FECDRO O[C@@H](C[NH2+]CCCSc1nccs1)COc1ccc2c(c1)OCO2 ZINC000819063959 675257791 /nfs/dbraw/zinc/25/77/91/675257791.db2.gz QNWYVWAGQRZABC-LBPRGKRZSA-N 1 0 368.480 2.384 20 10 FECDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000819688900 675309418 /nfs/dbraw/zinc/30/94/18/675309418.db2.gz OZEUAEPIXIDGOA-MRXNPFEDSA-N 1 0 358.511 2.275 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000823851662 675574693 /nfs/dbraw/zinc/57/46/93/675574693.db2.gz VBPKCSKZMJIBBI-KRWDZBQOSA-N 1 0 364.511 2.113 20 10 FECDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC12COC2 ZINC000824489725 675606138 /nfs/dbraw/zinc/60/61/38/675606138.db2.gz QNUXMEKVTZPRGX-CYBMUJFWSA-N 1 0 370.243 2.166 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1Cl ZINC000824555199 675610112 /nfs/dbraw/zinc/61/01/12/675610112.db2.gz CKBRWOVVTUJVHO-UHFFFAOYSA-N 1 0 365.905 2.484 20 10 FECDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000825556135 675658633 /nfs/dbraw/zinc/65/86/33/675658633.db2.gz OBAFXVLUWFSUCF-HIFRSBDPSA-N 1 0 360.248 2.065 20 10 FECDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715539 675665331 /nfs/dbraw/zinc/66/53/31/675665331.db2.gz ADUDIXOQSIXXQC-SWLSCSKDSA-N 1 0 374.275 2.001 20 10 FECDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830663623 677053227 /nfs/dbraw/zinc/05/32/27/677053227.db2.gz AMTAGHYXUPVFEP-HEHGZKQESA-N 1 0 353.413 2.371 20 10 FECDRO COc1ccc(N2CCC[N@H+](CC[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000760821368 680702207 /nfs/dbraw/zinc/70/22/07/680702207.db2.gz ZQJWZJXMCFTMGC-INIZCTEOSA-N 1 0 352.500 2.032 20 10 FECDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146112 680741537 /nfs/dbraw/zinc/74/15/37/680741537.db2.gz WVEXZJHIASMIJG-UHFFFAOYSA-N 1 0 356.413 2.480 20 10 FECDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)nn1 ZINC000762793065 680761581 /nfs/dbraw/zinc/76/15/81/680761581.db2.gz CJGYWIIFJUETRR-LLVKDONJSA-N 1 0 350.806 2.261 20 10 FECDRO O=C(c1cn[nH]c1[C@@H]1CC[NH2+]C1)N1CCc2ccc(Br)cc21 ZINC000662457753 678623556 /nfs/dbraw/zinc/62/35/56/678623556.db2.gz MTBXWPOPDZBTMZ-LLVKDONJSA-N 1 0 361.243 2.452 20 10 FECDRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840141725 680801769 /nfs/dbraw/zinc/80/17/69/680801769.db2.gz XEQFPVULUIQBPL-NHYWBVRUSA-N 1 0 360.376 2.134 20 10 FECDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765790614 680855438 /nfs/dbraw/zinc/85/54/38/680855438.db2.gz VVCWKMNLRCPMML-JKSUJKDBSA-N 1 0 351.466 2.034 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831173872 679940481 /nfs/dbraw/zinc/94/04/81/679940481.db2.gz SXXAKFFNPFQAGL-QGZVFWFLSA-N 1 0 360.527 2.181 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]CCNS(=O)(=O)c2ccccc2)cc1 ZINC000835036695 680289164 /nfs/dbraw/zinc/28/91/64/680289164.db2.gz NBLGFZYTSPMVRG-VOTSOKGWSA-N 1 0 359.495 2.334 20 10 FECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000835067790 680293056 /nfs/dbraw/zinc/29/30/56/680293056.db2.gz VOFQBLJQOYXNQI-CYBMUJFWSA-N 1 0 352.431 2.126 20 10 FECDRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000756688496 680492228 /nfs/dbraw/zinc/49/22/28/680492228.db2.gz OMNOMYSJZLXTEP-AWEZNQCLSA-N 1 0 352.500 2.347 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841705936 680908174 /nfs/dbraw/zinc/90/81/74/680908174.db2.gz AXNSWPGAWBKONT-GOSISDBHSA-N 1 0 360.527 2.276 20 10 FECDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841707744 680908419 /nfs/dbraw/zinc/90/84/19/680908419.db2.gz YXPMMAZUGLTJQO-KRWDZBQOSA-N 1 0 362.543 2.381 20 10 FECDRO COC(=O)C[C@]1([NH2+]Cc2cc(Br)cc(C)c2O)CCOC1 ZINC000768533153 680949414 /nfs/dbraw/zinc/94/94/14/680949414.db2.gz HOZZEBFITKEPRJ-OAHLLOKOSA-N 1 0 358.232 2.275 20 10 FECDRO Cc1nc(Cl)ccc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784967 680966290 /nfs/dbraw/zinc/96/62/90/680966290.db2.gz IYYTWXPOXUDVIC-AWEZNQCLSA-N 1 0 368.890 2.088 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058793 680985051 /nfs/dbraw/zinc/98/50/51/680985051.db2.gz YJUVUDDPEKTRSV-RHSMWYFYSA-N 1 0 365.905 2.434 20 10 FECDRO C[NH2+]CCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843332636 680998572 /nfs/dbraw/zinc/99/85/72/680998572.db2.gz XHLWGIYLXLCKQT-ZRDIBKRKSA-N 1 0 369.537 2.065 20 10 FECDRO Cc1cnn(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000771053542 681039238 /nfs/dbraw/zinc/03/92/38/681039238.db2.gz OBLWYQQBOJOCFP-MRXNPFEDSA-N 1 0 362.861 2.331 20 10 FECDRO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054686 681039608 /nfs/dbraw/zinc/03/96/08/681039608.db2.gz VKAYLDABBAMSPR-SWLSCSKDSA-N 1 0 367.877 2.041 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CN(C)CCO1 ZINC000773072981 681124340 /nfs/dbraw/zinc/12/43/40/681124340.db2.gz QNUGKGWGWTXGPM-QMTMVMCOSA-N 1 0 351.466 2.032 20 10 FECDRO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000773102690 681125706 /nfs/dbraw/zinc/12/57/06/681125706.db2.gz HSPZFKKWYQGJAQ-STQMWFEESA-N 1 0 360.907 2.260 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000775370324 681301717 /nfs/dbraw/zinc/30/17/17/681301717.db2.gz UQNIIFKGFBVMOX-KPZWWZAWSA-N 1 0 365.451 2.189 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000775373773 681302036 /nfs/dbraw/zinc/30/20/36/681302036.db2.gz WVXGUWYWEFLECQ-ZJUUUORDSA-N 1 0 363.439 2.239 20 10 FECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000847696158 681418205 /nfs/dbraw/zinc/41/82/05/681418205.db2.gz MIHLPZWJPCGVEI-XJKSGUPXSA-N 1 0 364.511 2.363 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCCNC2=O)c1O ZINC000848518455 681570296 /nfs/dbraw/zinc/57/02/96/681570296.db2.gz LSWBBBGZPQRWHU-CABZTGNLSA-N 1 0 357.248 2.483 20 10 FECDRO COC(=O)N1CC([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848536929 681574179 /nfs/dbraw/zinc/57/41/79/681574179.db2.gz YFBNCGXXVLPNSE-MRVPVSSYSA-N 1 0 359.220 2.265 20 10 FECDRO CCc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c1O ZINC000848909068 681640587 /nfs/dbraw/zinc/64/05/87/681640587.db2.gz JTVDHLPUPJWGPB-UHFFFAOYSA-N 1 0 370.421 2.301 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000779008000 681671608 /nfs/dbraw/zinc/67/16/08/681671608.db2.gz BLQKYTRFYPUCTB-CVEARBPZSA-N 1 0 366.527 2.387 20 10 FECDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849271486 681674827 /nfs/dbraw/zinc/67/48/27/681674827.db2.gz LEWTWCSZWDNSPB-WBVHZDCISA-N 1 0 362.543 2.222 20 10 FECDRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605802 681763324 /nfs/dbraw/zinc/76/33/24/681763324.db2.gz JXJAJWWGDZHYTB-HZPDHXFCSA-N 1 0 362.861 2.131 20 10 FECDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000850484865 681906790 /nfs/dbraw/zinc/90/67/90/681906790.db2.gz SIYDKEINYFHQMI-SIXWZSSISA-N 1 0 352.450 2.364 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)C2)cc1 ZINC000850489468 681907088 /nfs/dbraw/zinc/90/70/88/681907088.db2.gz UTSGJDGFYISUQZ-QGTPRVQTSA-N 1 0 352.500 2.219 20 10 FECDRO COC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H]1CCCO1 ZINC000788537419 682537444 /nfs/dbraw/zinc/53/74/44/682537444.db2.gz WJACEEIDKFUZJD-CHWSQXEVSA-N 1 0 360.248 2.447 20 10 FECDRO CN(C)c1cc(F)c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1F ZINC000858149712 682938385 /nfs/dbraw/zinc/93/83/85/682938385.db2.gz SBLBOMYGHDUDMB-UHFFFAOYSA-N 1 0 373.469 2.077 20 10 FECDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCC(F)(F)F ZINC000920867006 683375103 /nfs/dbraw/zinc/37/51/03/683375103.db2.gz LLOMEPNHEWTDAH-STQMWFEESA-N 1 0 359.392 2.241 20 10 FECDRO C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000861595565 683440462 /nfs/dbraw/zinc/44/04/62/683440462.db2.gz DDRCJTQWGCPRQU-STQMWFEESA-N 1 0 356.417 2.245 20 10 FECDRO FCCn1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cn1 ZINC000922178397 683674264 /nfs/dbraw/zinc/67/42/64/683674264.db2.gz QGQCTWACUFEISK-UHFFFAOYSA-N 1 0 354.376 2.257 20 10 FECDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C(F)(F)F ZINC000863646890 683756659 /nfs/dbraw/zinc/75/66/59/683756659.db2.gz RBQMYAYNGPPHPF-NVXWUHKLSA-N 1 0 357.420 2.482 20 10 FECDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925054817 684520861 /nfs/dbraw/zinc/52/08/61/684520861.db2.gz JFECDVPTSIVDLO-ZDUSSCGKSA-N 1 0 363.483 2.377 20 10 FECDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@H]21 ZINC000870982227 684777620 /nfs/dbraw/zinc/77/76/20/684777620.db2.gz MABOKEGZLZYEIK-RHSMWYFYSA-N 1 0 356.495 2.482 20 10 FECDRO O=C(CCC1C[NH2+]C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000876775874 686266259 /nfs/dbraw/zinc/26/62/59/686266259.db2.gz BXIVJQHZWNWIPF-CQSZACIVSA-N 1 0 353.413 2.373 20 10 FECDRO CNc1snc(C)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849866 687233640 /nfs/dbraw/zinc/23/36/40/687233640.db2.gz LDWHHKKKHJMPTI-UHFFFAOYSA-N 1 0 359.499 2.175 20 10 FECDRO C[NH+](C)CCN1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882887512 687523590 /nfs/dbraw/zinc/52/35/90/687523590.db2.gz VKQXNBRDFJUSGI-UHFFFAOYSA-N 1 0 374.298 2.409 20 10 FECDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883091680 687562160 /nfs/dbraw/zinc/56/21/60/687562160.db2.gz UGMVXBJFGRXUOD-LBPRGKRZSA-N 1 0 374.298 2.409 20 10 FECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)C(F)(F)F ZINC000883368354 687615283 /nfs/dbraw/zinc/61/52/83/687615283.db2.gz OLQLCXGRWMXDFC-AWEZNQCLSA-N 1 0 368.346 2.296 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC(F)(F)C3)cc2)CC1 ZINC000883526918 687659068 /nfs/dbraw/zinc/65/90/68/687659068.db2.gz DTBZPLZWPIVPGQ-HNNXBMFYSA-N 1 0 352.429 2.425 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)c2cn3ccnc3s2)[NH+](C)C)cc1 ZINC000891247581 689039438 /nfs/dbraw/zinc/03/94/38/689039438.db2.gz IGNMUQWBOCQRHG-OAHLLOKOSA-N 1 0 357.483 2.495 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2CCc3sc(C[NH3+])nc3C2)cc1F ZINC000891456221 689063946 /nfs/dbraw/zinc/06/39/46/689063946.db2.gz LRXQMWQEKLLHFM-UHFFFAOYSA-N 1 0 363.462 2.075 20 10 FECDRO COc1ccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c(O)c1OC ZINC000891712854 689096109 /nfs/dbraw/zinc/09/61/09/689096109.db2.gz NLGSXILUQLLPGU-UHFFFAOYSA-N 1 0 350.459 2.488 20 10 FECDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cncs1 ZINC000896443812 689874932 /nfs/dbraw/zinc/87/49/32/689874932.db2.gz DWXMCVCVGSOSQH-AWEZNQCLSA-N 1 0 359.499 2.455 20 10 FECDRO O=C1N[C@@H](C2CC[NH+](Cc3ccc(Br)cc3O)CC2)CO1 ZINC000897019934 689964023 /nfs/dbraw/zinc/96/40/23/689964023.db2.gz RDAOZXZAFVNXHZ-CYBMUJFWSA-N 1 0 355.232 2.475 20 10 FECDRO CN(C)c1ccc([C@@H](CNc2nccn(C(F)F)c2=O)[NH+](C)C)cc1 ZINC000897520973 690033636 /nfs/dbraw/zinc/03/36/36/690033636.db2.gz BTDSKLWYACKZJX-CQSZACIVSA-N 1 0 351.401 2.419 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CC(C)(C)CO)[NH+](C)C)cc1 ZINC000899097983 690303443 /nfs/dbraw/zinc/30/34/43/690303443.db2.gz JZCHVJKGCCYRBS-KRWDZBQOSA-N 1 0 350.507 2.015 20 10 FECDRO CCN(CC(C)(C)O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101780 690304486 /nfs/dbraw/zinc/30/44/86/690304486.db2.gz MGBUVKLXPUBRSL-QGZVFWFLSA-N 1 0 350.507 2.158 20 10 FECDRO CC[C@](C)(CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105493 690304787 /nfs/dbraw/zinc/30/47/87/690304787.db2.gz XPPDPKSLFVNHIK-IEBWSBKVSA-N 1 0 350.507 2.206 20 10 FECDRO CN(C)c1ccc([C@H](CN2C(=O)N[C@](C)(CCF)C2=O)[NH+](C)C)cc1 ZINC000900184959 690480984 /nfs/dbraw/zinc/48/09/84/690480984.db2.gz IDAXHKPIPDEGBL-MAUKXSAKSA-N 1 0 350.438 2.025 20 10 FECDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000908613729 691705231 /nfs/dbraw/zinc/70/52/31/691705231.db2.gz ULCOOFATLKNBGK-UHFFFAOYSA-N 1 0 364.467 2.278 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1F ZINC000800308908 674040418 /nfs/dbraw/zinc/04/04/18/674040418.db2.gz DSOUAGPYCKRIBH-NVXWUHKLSA-N 1 0 371.522 2.479 20 10 FECDRO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000029889537 539867373 /nfs/dbraw/zinc/86/73/73/539867373.db2.gz DCDSAVIXHAMAEA-UHFFFAOYSA-N 1 0 354.406 2.469 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000066665024 541357176 /nfs/dbraw/zinc/35/71/76/541357176.db2.gz VIAVTJIMGISKTA-HXUWFJFHSA-N 1 0 358.530 2.271 20 10 FECDRO CCC[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccccc1O ZINC000068973641 541645683 /nfs/dbraw/zinc/64/56/83/541645683.db2.gz NRNSKTQCWPFYLG-MRXNPFEDSA-N 1 0 361.486 2.121 20 10 FECDRO O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000070858256 541747190 /nfs/dbraw/zinc/74/71/90/541747190.db2.gz PNJOBISRFCMCLZ-OAHLLOKOSA-N 1 0 357.376 2.422 20 10 FECDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090057290 542781659 /nfs/dbraw/zinc/78/16/59/542781659.db2.gz SYQOFZIIVZJYEU-KUHUBIRLSA-N 1 0 352.450 2.100 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)NCCCOC)CC2)c1 ZINC000092362095 542859703 /nfs/dbraw/zinc/85/97/03/542859703.db2.gz SXBSJVPDZIATKJ-UHFFFAOYSA-N 1 0 350.459 2.156 20 10 FECDRO C[C@H]1CN(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CCO1 ZINC000092079295 542844932 /nfs/dbraw/zinc/84/49/32/542844932.db2.gz TVNCZZWNQPXTEZ-SFHVURJKSA-N 1 0 359.514 2.208 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1 ZINC000092673190 542880533 /nfs/dbraw/zinc/88/05/33/542880533.db2.gz UCQFFMXZQKRITF-MRXNPFEDSA-N 1 0 350.484 2.331 20 10 FECDRO C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000124586470 543830971 /nfs/dbraw/zinc/83/09/71/543830971.db2.gz LOZMJZCDJZSVCA-NSSMGOSVSA-N 1 0 357.498 2.478 20 10 FECDRO C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000124585980 543831191 /nfs/dbraw/zinc/83/11/91/543831191.db2.gz LOZMJZCDJZSVCA-JMPQJKKYSA-N 1 0 357.498 2.478 20 10 FECDRO Oc1ccc(Br)cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000129718482 544124210 /nfs/dbraw/zinc/12/42/10/544124210.db2.gz LFNZUALQHDQBAS-UHFFFAOYSA-N 1 0 355.276 2.451 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000132265857 544225127 /nfs/dbraw/zinc/22/51/27/544225127.db2.gz GAJQDYKMYPNONU-JOCHJYFZSA-N 1 0 367.493 2.135 20 10 FECDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000134370788 544305325 /nfs/dbraw/zinc/30/53/25/544305325.db2.gz LQHLTYFVVWONRP-PMACEKPBSA-N 1 0 374.529 2.320 20 10 FECDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151178096 544513447 /nfs/dbraw/zinc/51/34/47/544513447.db2.gz JFNCAVJRCJGHMG-MRXNPFEDSA-N 1 0 351.466 2.035 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000805137353 674322046 /nfs/dbraw/zinc/32/20/46/674322046.db2.gz OIAMAPNOKWUGHU-AWEZNQCLSA-N 1 0 368.275 2.438 20 10 FECDRO CCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165488175 546153796 /nfs/dbraw/zinc/15/37/96/546153796.db2.gz RDMOOHXZWXZWNC-HNNXBMFYSA-N 1 0 359.392 2.286 20 10 FECDRO O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000165995619 546154523 /nfs/dbraw/zinc/15/45/23/546154523.db2.gz IFKXYKFJHVAWJF-GFCCVEGCSA-N 1 0 357.376 2.280 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCc1cccs1)cc2=O ZINC000173759446 546286608 /nfs/dbraw/zinc/28/66/08/546286608.db2.gz ILNKVNAKGIANEI-UHFFFAOYSA-N 1 0 360.439 2.348 20 10 FECDRO CCN(CC(=O)Nc1nncs1)Cc1cc(Br)ccc1O ZINC000173993012 546289763 /nfs/dbraw/zinc/28/97/63/546289763.db2.gz YBGHVUCXPRCBRP-UHFFFAOYSA-N 1 0 371.260 2.467 20 10 FECDRO CC[N@H+](CC(=O)NC[C@H]1CCCO1)Cc1cc(Br)ccc1O ZINC000174422970 546296127 /nfs/dbraw/zinc/29/61/27/546296127.db2.gz UWKJVPUQPXQFGG-CQSZACIVSA-N 1 0 371.275 2.272 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1 ZINC000175553193 546312115 /nfs/dbraw/zinc/31/21/15/546312115.db2.gz GQIZHLSAGAWIDF-UHFFFAOYSA-N 1 0 362.518 2.395 20 10 FECDRO Cc1ccc(O)c(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185155358 547942618 /nfs/dbraw/zinc/94/26/18/547942618.db2.gz JEEDZGFQUHHSMO-LJQANCHMSA-N 1 0 354.450 2.260 20 10 FECDRO CS(=O)(=O)CCCCC[NH2+]Cc1cc(Br)ccc1O ZINC000185210257 547952987 /nfs/dbraw/zinc/95/29/87/547952987.db2.gz JIQILQRYERDGMT-UHFFFAOYSA-N 1 0 350.278 2.459 20 10 FECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c(O)c1 ZINC000186158971 548092205 /nfs/dbraw/zinc/09/22/05/548092205.db2.gz RXMIMLQDRVOZQU-OLZOCXBDSA-N 1 0 355.481 2.248 20 10 FECDRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(F)ccc1O ZINC000186159102 548092796 /nfs/dbraw/zinc/09/27/96/548092796.db2.gz DJYXXFSLHDNJKV-ZYHUDNBSSA-N 1 0 359.444 2.078 20 10 FECDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188784122 548286961 /nfs/dbraw/zinc/28/69/61/548286961.db2.gz ZLPKIUGNJVPHBW-YWPYICTPSA-N 1 0 357.376 2.073 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237221987 548810597 /nfs/dbraw/zinc/81/05/97/548810597.db2.gz TWDPHSYVXMNKFA-NRFANRHFSA-N 1 0 365.477 2.196 20 10 FECDRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC000245742305 548985788 /nfs/dbraw/zinc/98/57/88/548985788.db2.gz RUJDLOSTWJVUKP-AMJLAATGSA-N 1 0 360.454 2.211 20 10 FECDRO Cc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000262481892 549823724 /nfs/dbraw/zinc/82/37/24/549823724.db2.gz ZQNXESQVURXFGC-LJQANCHMSA-N 1 0 370.472 2.353 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN1CCSCC1 ZINC000264831710 550002142 /nfs/dbraw/zinc/00/21/42/550002142.db2.gz FGXVYYGVTQHPCP-UHFFFAOYSA-N 1 0 350.532 2.333 20 10 FECDRO CCC(C)(C)[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000265198054 550007150 /nfs/dbraw/zinc/00/71/50/550007150.db2.gz JMNHXOBKMCNHAI-UHFFFAOYSA-N 1 0 351.466 2.399 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)CCSC)cc2=O ZINC000265515328 550010656 /nfs/dbraw/zinc/01/06/56/550010656.db2.gz QHQGQDDFAMDHNL-LLVKDONJSA-N 1 0 352.460 2.185 20 10 FECDRO COc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1O ZINC000265826178 550014431 /nfs/dbraw/zinc/01/44/31/550014431.db2.gz YXWYUVOGCIYJDT-OALUTQOASA-N 1 0 356.466 2.373 20 10 FECDRO COCC[N@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266849194 550024597 /nfs/dbraw/zinc/02/45/97/550024597.db2.gz QFBMNSVBAXNDFH-UHFFFAOYSA-N 1 0 350.507 2.251 20 10 FECDRO [NH3+]CCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000269140912 550159491 /nfs/dbraw/zinc/15/94/91/550159491.db2.gz WCGMGGXQZGUOJV-BENRWUELSA-N 1 0 369.537 2.195 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(N)cc3)CC2)cc1 ZINC000269244349 550171892 /nfs/dbraw/zinc/17/18/92/550171892.db2.gz CNPMMTCCAWWSRI-UHFFFAOYSA-N 1 0 368.481 2.220 20 10 FECDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc3c(cc2O)OCO3)c1 ZINC000271195781 550351236 /nfs/dbraw/zinc/35/12/36/550351236.db2.gz RIQBJJXDPHVYAH-UHFFFAOYSA-N 1 0 361.394 2.133 20 10 FECDRO CC(C)[NH+]1CCC(N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000272693775 550465530 /nfs/dbraw/zinc/46/55/30/550465530.db2.gz UXGVLWZZOCZOOO-GQCTYLIASA-N 1 0 373.497 2.128 20 10 FECDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000273046796 550482009 /nfs/dbraw/zinc/48/20/09/550482009.db2.gz XTZZEWICHNAGRP-WZQKQDCOSA-N 1 0 373.522 2.457 20 10 FECDRO COc1cc(N2CC[NH+](CCCCCCO)CC2)cc(OC)c1OC ZINC000273562417 550503142 /nfs/dbraw/zinc/50/31/42/550503142.db2.gz DOWHKPSAPCWCBZ-UHFFFAOYSA-N 1 0 352.475 2.387 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cncnc3)cc2F)CC1 ZINC000274310854 550532202 /nfs/dbraw/zinc/53/22/02/550532202.db2.gz DUMDQWLFVNXBMH-UHFFFAOYSA-N 1 0 358.421 2.079 20 10 FECDRO COc1ccc(O)c(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000277034164 550624420 /nfs/dbraw/zinc/62/44/20/550624420.db2.gz MZIWQCTYZXLOOT-UHFFFAOYSA-N 1 0 356.488 2.083 20 10 FECDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C12CCC[NH+]1CCC2 ZINC000278855827 550829416 /nfs/dbraw/zinc/82/94/16/550829416.db2.gz LTWFXDCCRWDDME-UHFFFAOYSA-N 1 0 361.461 2.031 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000280036646 550954895 /nfs/dbraw/zinc/95/48/95/550954895.db2.gz VAGIVDDIHLRUTE-LLVKDONJSA-N 1 0 350.406 2.296 20 10 FECDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C)cc1O ZINC000280106502 550961694 /nfs/dbraw/zinc/96/16/94/550961694.db2.gz NLUMAQPHXSJHER-NVXWUHKLSA-N 1 0 370.515 2.230 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]CC2(OCCO)CCOCC2)c1O ZINC000282726654 551264144 /nfs/dbraw/zinc/26/41/44/551264144.db2.gz LYNRMOYNKUXQOV-UHFFFAOYSA-N 1 0 374.275 2.111 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000285815834 551814528 /nfs/dbraw/zinc/81/45/28/551814528.db2.gz SJNUUWBQWQZCRZ-GHTZIAJQSA-N 1 0 357.498 2.261 20 10 FECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000289570210 552341935 /nfs/dbraw/zinc/34/19/35/552341935.db2.gz JLXYLMKHJGRLSH-GUYCJALGSA-N 1 0 351.834 2.307 20 10 FECDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C[NH3+])OC)cc1 ZINC000289882870 552394284 /nfs/dbraw/zinc/39/42/84/552394284.db2.gz HZHQRHIROVKRAO-LJQANCHMSA-N 1 0 357.454 2.268 20 10 FECDRO Cc1cc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)ccc1N(C)C ZINC000292694053 552750041 /nfs/dbraw/zinc/75/00/41/552750041.db2.gz ADNJIWHZALUFAS-UHFFFAOYSA-N 1 0 369.513 2.437 20 10 FECDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000294919650 552944075 /nfs/dbraw/zinc/94/40/75/552944075.db2.gz IJBDEDVEPJSOCY-LJQANCHMSA-N 1 0 361.530 2.190 20 10 FECDRO O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000296548095 553177939 /nfs/dbraw/zinc/17/79/39/553177939.db2.gz SRVNDKITTQBRNX-MOPGFXCFSA-N 1 0 366.461 2.439 20 10 FECDRO C[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000296610309 553187432 /nfs/dbraw/zinc/18/74/32/553187432.db2.gz WGMXZELKTSSJHV-KDOFPFPSSA-N 1 0 370.490 2.016 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000299112313 553516969 /nfs/dbraw/zinc/51/69/69/553516969.db2.gz QCERMEGEBCWXMI-UHFFFAOYSA-N 1 0 372.513 2.197 20 10 FECDRO O=C1[C@@H]([N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473058 555114182 /nfs/dbraw/zinc/11/41/82/555114182.db2.gz XTWLQQCXANBEQQ-MOPGFXCFSA-N 1 0 374.481 2.153 20 10 FECDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(C)n1-c1ccccn1 ZINC000363735778 555175273 /nfs/dbraw/zinc/17/52/73/555175273.db2.gz WLHJPDRZSWGGDU-SFHVURJKSA-N 1 0 368.481 2.472 20 10 FECDRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000363916350 555213739 /nfs/dbraw/zinc/21/37/39/555213739.db2.gz BLBPTXSRRBOFLO-UHFFFAOYSA-N 1 0 357.454 2.356 20 10 FECDRO CN1CCCc2cc(CNC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)ccc21 ZINC000364200780 555268279 /nfs/dbraw/zinc/26/82/79/555268279.db2.gz LAKWHVGKKVKTBH-YRISNDGFSA-N 1 0 357.498 2.218 20 10 FECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1 ZINC000364795386 555405018 /nfs/dbraw/zinc/40/50/18/555405018.db2.gz YEIDYHXDHZROAC-OAHLLOKOSA-N 1 0 356.470 2.388 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000369026887 556480676 /nfs/dbraw/zinc/48/06/76/556480676.db2.gz JRPIOGGJTGVAJB-RBUKOAKNSA-N 1 0 360.502 2.195 20 10 FECDRO CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000369433716 556599404 /nfs/dbraw/zinc/59/94/04/556599404.db2.gz CBFUHENNCKNIPV-DOTOQJQBSA-N 1 0 355.486 2.343 20 10 FECDRO C[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cc2c(cc1O)CCCC2 ZINC000370376072 556854181 /nfs/dbraw/zinc/85/41/81/556854181.db2.gz ZLVDMRAHNCKMHU-CYBMUJFWSA-N 1 0 356.474 2.114 20 10 FECDRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Cl)cc1O ZINC000527946472 562309083 /nfs/dbraw/zinc/30/90/83/562309083.db2.gz DSSZUXGZICWNCF-SCLBCKFNSA-N 1 0 354.878 2.312 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000371314743 557143183 /nfs/dbraw/zinc/14/31/83/557143183.db2.gz OGNYFSKWTOOGBX-UHFFFAOYSA-N 1 0 363.502 2.213 20 10 FECDRO CCOc1cccc(C[NH+]2CCC(NC(=O)c3cc(C)on3)CC2)c1O ZINC000371411751 557177366 /nfs/dbraw/zinc/17/73/66/557177366.db2.gz QWBNWMPDIZVYEW-UHFFFAOYSA-N 1 0 359.426 2.482 20 10 FECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000372177685 557400506 /nfs/dbraw/zinc/40/05/06/557400506.db2.gz DGYFSQFGPFEVIX-CQSZACIVSA-N 1 0 354.450 2.244 20 10 FECDRO COc1c(O)c(C[NH+]2CCC(Oc3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000373263477 557661526 /nfs/dbraw/zinc/66/15/26/557661526.db2.gz ICINNHDODBZJRM-UHFFFAOYSA-N 1 0 360.370 2.142 20 10 FECDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805373 557934100 /nfs/dbraw/zinc/93/41/00/557934100.db2.gz IOQBDQACLRZZDY-LNPHQHDRSA-N 1 0 360.454 2.117 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c(O)c1 ZINC000375978395 558108413 /nfs/dbraw/zinc/10/84/13/558108413.db2.gz YUUPEIKGOCPHMR-INIZCTEOSA-N 1 0 371.485 2.260 20 10 FECDRO O=C(Cc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000376727970 558214019 /nfs/dbraw/zinc/21/40/19/558214019.db2.gz HSLKOLVQWZIEHY-MRXNPFEDSA-N 1 0 354.406 2.054 20 10 FECDRO CC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)NC ZINC000457043326 560545356 /nfs/dbraw/zinc/54/53/56/560545356.db2.gz IEAHOLVRITVQSC-KRWDZBQOSA-N 1 0 370.497 2.049 20 10 FECDRO COc1ccc(CN2CC[C@@H]2CNC(=O)NCc2ccccc2O)cc1 ZINC000528178771 562317616 /nfs/dbraw/zinc/31/76/16/562317616.db2.gz LGPXWTNYMSHBFK-QGZVFWFLSA-N 1 0 355.438 2.475 20 10 FECDRO COCCc1noc(CC2CC[NH+](Cc3cccc(OC)c3O)CC2)n1 ZINC000529638984 562379659 /nfs/dbraw/zinc/37/96/59/562379659.db2.gz ICXQVFADINWPKT-UHFFFAOYSA-N 1 0 361.442 2.427 20 10 FECDRO c1nc(C2OCCO2)sc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000809607836 674500636 /nfs/dbraw/zinc/50/06/36/674500636.db2.gz CVBJCNAZQQHFSP-UHFFFAOYSA-N 1 0 361.467 2.315 20 10 FECDRO C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(Br)c1[O-] ZINC000809742736 674508368 /nfs/dbraw/zinc/50/83/68/674508368.db2.gz IARPHOIOCLYONG-UHFFFAOYSA-N 1 0 356.308 2.224 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1C(C)C ZINC000811791315 674628065 /nfs/dbraw/zinc/62/80/65/674628065.db2.gz VFVGVSMUQWBFDN-UHFFFAOYSA-N 1 0 369.531 2.138 20 10 FECDRO COc1cc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000813150364 674724553 /nfs/dbraw/zinc/72/45/53/674724553.db2.gz CDOVMSFRORVUEM-UHFFFAOYSA-N 1 0 370.515 2.212 20 10 FECDRO CC(C)CS(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092558758 670742217 /nfs/dbraw/zinc/74/22/17/670742217.db2.gz ZNJZGCCMACZALY-UHFFFAOYSA-N 1 0 365.543 2.294 20 10 FECDRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000171842012 672336581 /nfs/dbraw/zinc/33/65/81/672336581.db2.gz FCHVTTFDRGZIJO-UHFFFAOYSA-N 1 0 368.833 2.400 20 10 FECDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000177732429 672385966 /nfs/dbraw/zinc/38/59/66/672385966.db2.gz XUGJTYRBUCQUIE-CQSZACIVSA-N 1 0 372.560 2.281 20 10 FECDRO CCCN(CCC)c1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1 ZINC000189712560 672621053 /nfs/dbraw/zinc/62/10/53/672621053.db2.gz NHEIVNOSLNERDQ-UHFFFAOYSA-N 1 0 353.532 2.294 20 10 FECDRO C[NH+](C)CCNC(=S)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743016168 673745170 /nfs/dbraw/zinc/74/51/70/673745170.db2.gz TUXUAJKTAXYWKL-ZDUSSCGKSA-N 1 0 372.485 2.283 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000819077669 675258512 /nfs/dbraw/zinc/25/85/12/675258512.db2.gz MQUAOXZOIWQERB-KRWDZBQOSA-N 1 0 351.491 2.426 20 10 FECDRO C[C@@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)S(C)(=O)=O ZINC000819120170 675262360 /nfs/dbraw/zinc/26/23/60/675262360.db2.gz MZXUDOJKTJSWBE-STQMWFEESA-N 1 0 362.442 2.280 20 10 FECDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F ZINC000819121193 675262458 /nfs/dbraw/zinc/26/24/58/675262458.db2.gz ITRRLGSKTFCOJE-HNNXBMFYSA-N 1 0 350.356 2.190 20 10 FECDRO COC(=O)c1cnc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)s1 ZINC000822498196 675488825 /nfs/dbraw/zinc/48/88/25/675488825.db2.gz VXGOLODMYDYJQM-MRVPVSSYSA-N 1 0 367.383 2.403 20 10 FECDRO Oc1cc(Br)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000824902339 675627841 /nfs/dbraw/zinc/62/78/41/675627841.db2.gz UHIXNFKHHRMGJP-ZDUSSCGKSA-N 1 0 355.276 2.309 20 10 FECDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000827545038 675763896 /nfs/dbraw/zinc/76/38/96/675763896.db2.gz RLAXYEJDOHQEJK-ZDUSSCGKSA-N 1 0 356.264 2.342 20 10 FECDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830663628 677053190 /nfs/dbraw/zinc/05/31/90/677053190.db2.gz AMTAGHYXUPVFEP-XEZPLFJOSA-N 1 0 353.413 2.371 20 10 FECDRO [NH3+]C[C@H](NC(=O)NCc1cccc(Br)c1O)C1CCCC1 ZINC000841987032 680920261 /nfs/dbraw/zinc/92/02/61/680920261.db2.gz PHVQYGBKRGXIAS-ZDUSSCGKSA-N 1 0 356.264 2.471 20 10 FECDRO [NH3+]C[C@H](NC(=O)NCc1cc(Br)ccc1O)C1CCCC1 ZINC000841989538 680920353 /nfs/dbraw/zinc/92/03/53/680920353.db2.gz ZEJFBXOUDGKRAU-ZDUSSCGKSA-N 1 0 356.264 2.471 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCS(C)(=O)=O)c1O ZINC000848523635 681570984 /nfs/dbraw/zinc/57/09/84/681570984.db2.gz AJSMNAXTRZTYMO-SECBINFHSA-N 1 0 366.277 2.249 20 10 FECDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289645 680838447 /nfs/dbraw/zinc/83/84/47/680838447.db2.gz COJPMULBZBPGIO-NVXWUHKLSA-N 1 0 367.921 2.284 20 10 FECDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840916785 680852871 /nfs/dbraw/zinc/85/28/71/680852871.db2.gz DXWWFJISJAPMFS-UHFFFAOYSA-N 1 0 353.532 2.307 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000840931940 680854569 /nfs/dbraw/zinc/85/45/69/680854569.db2.gz ACRYAGINDVMJJC-UHFFFAOYSA-N 1 0 361.511 2.270 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000840945385 680855706 /nfs/dbraw/zinc/85/57/06/680855706.db2.gz MBHGNHQSMYNNGT-INIZCTEOSA-N 1 0 365.543 2.355 20 10 FECDRO [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)nn1 ZINC000841098930 680863264 /nfs/dbraw/zinc/86/32/64/680863264.db2.gz AGZQODUQHOJOEA-CYBMUJFWSA-N 1 0 366.263 2.042 20 10 FECDRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000834910794 680281752 /nfs/dbraw/zinc/28/17/52/680281752.db2.gz ZOUIMSCQSMELOA-SCLBCKFNSA-N 1 0 351.878 2.496 20 10 FECDRO CNS(=O)(=O)c1cccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835035963 680289033 /nfs/dbraw/zinc/28/90/33/680289033.db2.gz NAHMZBKBTJPYSF-ALCCZGGFSA-N 1 0 359.495 2.464 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1 ZINC000756445539 680479227 /nfs/dbraw/zinc/47/92/27/680479227.db2.gz OMZJZXLKLCQXJB-AWEZNQCLSA-N 1 0 364.467 2.171 20 10 FECDRO COC(=O)/C=C/c1ccc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000759278268 680639057 /nfs/dbraw/zinc/63/90/57/680639057.db2.gz MXYQKFRNNQZHRV-OHOWAWRESA-N 1 0 365.455 2.263 20 10 FECDRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841707745 680908516 /nfs/dbraw/zinc/90/85/16/680908516.db2.gz YXPMMAZUGLTJQO-QGZVFWFLSA-N 1 0 362.543 2.381 20 10 FECDRO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843397 680914333 /nfs/dbraw/zinc/91/43/33/680914333.db2.gz HEGFBLULDJGBJV-AVGNSLFASA-N 1 0 356.417 2.292 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000841968796 680919451 /nfs/dbraw/zinc/91/94/51/680919451.db2.gz VIMZJCZRLWGWNC-ZDUSSCGKSA-N 1 0 356.264 2.424 20 10 FECDRO CN(C)c1ccc(CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C2CC2)cc1 ZINC000842007109 680921607 /nfs/dbraw/zinc/92/16/07/680921607.db2.gz XIDFDWUOGKHIDG-INIZCTEOSA-N 1 0 352.429 2.424 20 10 FECDRO CCOc1cccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842784139 680966085 /nfs/dbraw/zinc/96/60/85/680966085.db2.gz BUNOJLYDNDMQJR-SFHVURJKSA-N 1 0 363.483 2.130 20 10 FECDRO Cc1cc(F)c(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000842784450 680966087 /nfs/dbraw/zinc/96/60/87/680966087.db2.gz JUJBOLTZAKQILA-MRXNPFEDSA-N 1 0 369.437 2.318 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000842784520 680966190 /nfs/dbraw/zinc/96/61/90/680966190.db2.gz HRUDPGRKJFWICS-QGZVFWFLSA-N 1 0 369.437 2.150 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc(C)c1F ZINC000842783717 680966197 /nfs/dbraw/zinc/96/61/97/680966197.db2.gz BRPKWWPQCCADMH-QGZVFWFLSA-N 1 0 365.474 2.487 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1O ZINC000842885172 680973494 /nfs/dbraw/zinc/97/34/94/680973494.db2.gz WKHWAXLHMRQBPQ-AAEUAGOBSA-N 1 0 351.399 2.417 20 10 FECDRO CN(C)S(=O)(=O)c1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843350857 680999353 /nfs/dbraw/zinc/99/93/53/680999353.db2.gz XDMRXCRJDKSNCK-UHFFFAOYSA-N 1 0 359.495 2.348 20 10 FECDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000772454676 681098155 /nfs/dbraw/zinc/09/81/55/681098155.db2.gz JDURGIXVYBEEJX-INIZCTEOSA-N 1 0 359.495 2.476 20 10 FECDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000775644600 681320936 /nfs/dbraw/zinc/32/09/36/681320936.db2.gz QEODNFFDDVEYMW-LBPRGKRZSA-N 1 0 350.440 2.241 20 10 FECDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000776810554 681438278 /nfs/dbraw/zinc/43/82/78/681438278.db2.gz ZKNANAMKRCOSCA-OLZOCXBDSA-N 1 0 350.415 2.468 20 10 FECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000848910851 681641962 /nfs/dbraw/zinc/64/19/62/681641962.db2.gz AGXFNDWUCLAIII-AWEZNQCLSA-N 1 0 352.500 2.248 20 10 FECDRO CC(C)[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917025814 685529184 /nfs/dbraw/zinc/52/91/84/685529184.db2.gz PXAPVHJSAFNJIG-HNNXBMFYSA-N 1 0 351.466 2.255 20 10 FECDRO COc1ccc(N(C)CCN(C)C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852895924 682354791 /nfs/dbraw/zinc/35/47/91/682354791.db2.gz NDOJXNUOCONNSQ-INIZCTEOSA-N 1 0 359.392 2.132 20 10 FECDRO OC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccc(F)c(F)c1 ZINC000791004591 682719002 /nfs/dbraw/zinc/71/90/02/682719002.db2.gz NKIUDAVEBZOVFW-LBPRGKRZSA-N 1 0 351.349 2.340 20 10 FECDRO COc1cc(Br)cc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1O ZINC000793590701 682897611 /nfs/dbraw/zinc/89/76/11/682897611.db2.gz ODFSARBCVRTRMR-RYUDHWBXSA-N 1 0 373.291 2.050 20 10 FECDRO Oc1cccc(Br)c1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000858194471 682943130 /nfs/dbraw/zinc/94/31/30/682943130.db2.gz GNEAJFOMAKJISY-CYBMUJFWSA-N 1 0 355.276 2.498 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CCN(C)CC(F)F)c1O ZINC000858336561 682958803 /nfs/dbraw/zinc/95/88/03/682958803.db2.gz LZAASFQBEIYQAY-UHFFFAOYSA-N 1 0 353.207 2.450 20 10 FECDRO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000861595562 683440496 /nfs/dbraw/zinc/44/04/96/683440496.db2.gz DDRCJTQWGCPRQU-CHWSQXEVSA-N 1 0 356.417 2.245 20 10 FECDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1cc(F)ccc1O ZINC000799726836 683488638 /nfs/dbraw/zinc/48/86/38/683488638.db2.gz RTLGRPHFTZEKNI-SNVBAGLBSA-N 1 0 374.384 2.439 20 10 FECDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862364643 683577619 /nfs/dbraw/zinc/57/76/19/683577619.db2.gz FSNFHMAKJASFQC-OLZOCXBDSA-N 1 0 355.276 2.450 20 10 FECDRO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921799256 683578299 /nfs/dbraw/zinc/57/82/99/683578299.db2.gz FTZAPPDCIKWIGJ-RDJZCZTQSA-N 1 0 352.500 2.161 20 10 FECDRO COc1c(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645089 683756452 /nfs/dbraw/zinc/75/64/52/683756452.db2.gz AXANTGZNGTUDNC-WDEREUQCSA-N 1 0 363.336 2.268 20 10 FECDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000865739650 684021246 /nfs/dbraw/zinc/02/12/46/684021246.db2.gz YMAWQAHHSBBPMR-BLLLJJGKSA-N 1 0 357.292 2.271 20 10 FECDRO CC[C@H]([NH2+]CCCS(=O)(=O)NC)c1ccc(C(F)(F)F)cc1O ZINC000866458459 684107257 /nfs/dbraw/zinc/10/72/57/684107257.db2.gz KOJJHKJHOUGACC-LBPRGKRZSA-N 1 0 354.394 2.391 20 10 FECDRO CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923582218 684308239 /nfs/dbraw/zinc/30/82/39/684308239.db2.gz KRTPFBDEXJSPBP-GOSISDBHSA-N 1 0 351.516 2.191 20 10 FECDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925054837 684520848 /nfs/dbraw/zinc/52/08/48/684520848.db2.gz JKPQZMDWGOHLNF-MRXNPFEDSA-N 1 0 359.495 2.037 20 10 FECDRO C[N@H+](CCS(N)(=O)=O)Cc1c(O)ccc2cc(Br)ccc21 ZINC000872823502 685020931 /nfs/dbraw/zinc/02/09/31/685020931.db2.gz VTWHABXLTZPGDF-UHFFFAOYSA-N 1 0 373.272 2.028 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@@H](OC)C3CCOCC3)CC2)cc1F ZINC000876805532 686273246 /nfs/dbraw/zinc/27/32/46/686273246.db2.gz DGEHDFAJPYFMPN-LJQANCHMSA-N 1 0 352.450 2.398 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876879123 686286042 /nfs/dbraw/zinc/28/60/42/686286042.db2.gz HCSKUOXBZWYCCH-QAPCUYQASA-N 1 0 366.845 2.079 20 10 FECDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)OC ZINC000877031212 686314789 /nfs/dbraw/zinc/31/47/89/686314789.db2.gz RRCLOYKSQPTRLI-QAPCUYQASA-N 1 0 354.516 2.072 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000877593122 686417945 /nfs/dbraw/zinc/41/79/45/686417945.db2.gz YYBHTSINLRCSGQ-CYBMUJFWSA-N 1 0 351.472 2.022 20 10 FECDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877622687 686424385 /nfs/dbraw/zinc/42/43/85/686424385.db2.gz AZUIUDUUQOKUSU-UXSWERMXSA-N 1 0 350.528 2.427 20 10 FECDRO Cc1nc(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000881851733 687234317 /nfs/dbraw/zinc/23/43/17/687234317.db2.gz ZUJGMKXOPQRXOW-UHFFFAOYSA-N 1 0 358.511 2.452 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1 ZINC000883291855 687600843 /nfs/dbraw/zinc/60/08/43/687600843.db2.gz UTYBFLVHLZUMOI-UHFFFAOYSA-N 1 0 356.488 2.131 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc(Cl)cn3)cc2)CC1 ZINC000885983611 688191993 /nfs/dbraw/zinc/19/19/93/688191993.db2.gz KPBNKROOBPWSCT-UHFFFAOYSA-N 1 0 365.886 2.260 20 10 FECDRO C[C@H]1CCSCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889664930 688804136 /nfs/dbraw/zinc/80/41/36/688804136.db2.gz ARKWMSHMYQCTMN-INIZCTEOSA-N 1 0 362.543 2.475 20 10 FECDRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cccc(Cl)c2O)C[C@H](C)O1 ZINC000891728279 689098067 /nfs/dbraw/zinc/09/80/67/689098067.db2.gz MJYBOWDEXKQAHU-BETUJISGSA-N 1 0 355.866 2.344 20 10 FECDRO COc1ccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1OC ZINC000893210129 689313725 /nfs/dbraw/zinc/31/37/25/689313725.db2.gz XPMFHXHIQAGLTO-LLVKDONJSA-N 1 0 362.348 2.052 20 10 FECDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000893236615 689318456 /nfs/dbraw/zinc/31/84/56/689318456.db2.gz ICRVBPCNTKJFJD-AWEZNQCLSA-N 1 0 368.909 2.118 20 10 FECDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1cccc(Cl)c1O ZINC000895666060 689751866 /nfs/dbraw/zinc/75/18/66/689751866.db2.gz JSXDDQODVVSPET-ZDUSSCGKSA-N 1 0 356.898 2.117 20 10 FECDRO COc1ccc(O)c(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)c1 ZINC000896282683 689848663 /nfs/dbraw/zinc/84/86/63/689848663.db2.gz KZXBZUKUCCZPCK-UHFFFAOYSA-N 1 0 356.488 2.131 20 10 FECDRO CC(C)[C@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100992 690304521 /nfs/dbraw/zinc/30/45/21/690304521.db2.gz GBAVLYFBHTUHPP-IEBWSBKVSA-N 1 0 350.507 2.062 20 10 FECDRO CCCN(CCC)c1ccc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1 ZINC000903967119 690989842 /nfs/dbraw/zinc/98/98/42/690989842.db2.gz HJCKEGGHNHNVNO-LJQANCHMSA-N 1 0 367.559 2.179 20 10 FECDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1O ZINC000359957139 210199232 /nfs/dbraw/zinc/19/92/32/210199232.db2.gz GMGUYZGRYRJSSX-SFHVURJKSA-N 1 0 370.877 2.025 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccnc3)CC2)cc1 ZINC000032765968 539951621 /nfs/dbraw/zinc/95/16/21/539951621.db2.gz WNCHCMVITIKZCG-UHFFFAOYSA-N 1 0 354.454 2.032 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCc3ccco3)CC2)cc1 ZINC000053248962 540520639 /nfs/dbraw/zinc/52/06/39/540520639.db2.gz HEZKSYBRVOWTFF-UHFFFAOYSA-N 1 0 372.469 2.300 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000055934812 540688521 /nfs/dbraw/zinc/68/85/21/540688521.db2.gz UOFGFNCQDUMICY-UHFFFAOYSA-N 1 0 360.546 2.423 20 10 FECDRO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000079254036 542508354 /nfs/dbraw/zinc/50/83/54/542508354.db2.gz GUIFNVVDPXCZLA-QGZVFWFLSA-N 1 0 362.518 2.395 20 10 FECDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000090231873 542783982 /nfs/dbraw/zinc/78/39/82/542783982.db2.gz MQRWBIXWSBYJQD-AWEZNQCLSA-N 1 0 351.516 2.360 20 10 FECDRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000090769393 542788159 /nfs/dbraw/zinc/78/81/59/542788159.db2.gz NYOAEPHVOYTXPL-BBRMVZONSA-N 1 0 368.524 2.300 20 10 FECDRO COc1ccccc1NC(=O)CN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000093814914 542941138 /nfs/dbraw/zinc/94/11/38/542941138.db2.gz FFVAMNYJILQYFH-UHFFFAOYSA-N 1 0 369.465 2.466 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000123813846 543784819 /nfs/dbraw/zinc/78/48/19/543784819.db2.gz YVJGRYHPZGDSJC-SFHVURJKSA-N 1 0 369.513 2.057 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000125585204 543890625 /nfs/dbraw/zinc/89/06/25/543890625.db2.gz OOQBBTNCZHMPCQ-SXLOBPIMSA-N 1 0 359.514 2.456 20 10 FECDRO CCOCCOCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261808 544300761 /nfs/dbraw/zinc/30/07/61/544300761.db2.gz LEBBTPGZZBHOLC-INIZCTEOSA-N 1 0 370.877 2.179 20 10 FECDRO Nc1ccc(CCNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000152518465 544663718 /nfs/dbraw/zinc/66/37/18/544663718.db2.gz HANMYNHFBLWAQX-FQEVSTJZSA-N 1 0 353.466 2.219 20 10 FECDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c2C)cc1 ZINC000153148582 544738949 /nfs/dbraw/zinc/73/89/49/544738949.db2.gz GJGXDQVVDHHQKW-FQEVSTJZSA-N 1 0 359.470 2.145 20 10 FECDRO CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1O ZINC000156869189 545671545 /nfs/dbraw/zinc/67/15/45/545671545.db2.gz YALGBCXPUSSTNJ-TZMCWYRMSA-N 1 0 355.481 2.329 20 10 FECDRO CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1O ZINC000156869050 545672179 /nfs/dbraw/zinc/67/21/79/545672179.db2.gz YALGBCXPUSSTNJ-OCCSQVGLSA-N 1 0 355.481 2.329 20 10 FECDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000157859013 545792595 /nfs/dbraw/zinc/79/25/95/545792595.db2.gz OODRPIHBYDWBKL-UHFFFAOYSA-N 1 0 366.481 2.144 20 10 FECDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165194202 546152553 /nfs/dbraw/zinc/15/25/53/546152553.db2.gz BZUBBZKWOHETMR-HNNXBMFYSA-N 1 0 351.466 2.399 20 10 FECDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000175787922 546350815 /nfs/dbraw/zinc/35/08/15/546350815.db2.gz LQPOXZCFLOJULG-HXUWFJFHSA-N 1 0 359.514 2.478 20 10 FECDRO C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000177071068 546539468 /nfs/dbraw/zinc/53/94/68/546539468.db2.gz XZFZZLIGSSMNID-LXCLZNAOSA-N 1 0 355.482 2.278 20 10 FECDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1O ZINC000177296965 546589446 /nfs/dbraw/zinc/58/94/46/546589446.db2.gz QRJITJXDNYFONP-AWEZNQCLSA-N 1 0 352.862 2.402 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000177952843 546712792 /nfs/dbraw/zinc/71/27/92/546712792.db2.gz FFESYKUHQKGKKW-ZVDOUQERSA-N 1 0 370.541 2.175 20 10 FECDRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178666834 546829425 /nfs/dbraw/zinc/82/94/25/546829425.db2.gz MBAQAKBHHYVVAC-SFHVURJKSA-N 1 0 358.530 2.492 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(O)c1 ZINC000179893687 547026179 /nfs/dbraw/zinc/02/61/79/547026179.db2.gz QAPOTGGVCKGZPJ-KRWDZBQOSA-N 1 0 362.470 2.252 20 10 FECDRO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000180817360 547185782 /nfs/dbraw/zinc/18/57/82/547185782.db2.gz VGDVOEFOUGUDAH-ZKKXHLJNSA-N 1 0 360.454 2.261 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H](C)OC)cc2F)CC1 ZINC000181377827 547303642 /nfs/dbraw/zinc/30/36/42/547303642.db2.gz FXMNJRCWVDWGQA-OAHLLOKOSA-N 1 0 351.466 2.399 20 10 FECDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000181651521 547353587 /nfs/dbraw/zinc/35/35/87/547353587.db2.gz RMNMPAJADGHTRH-HNNXBMFYSA-N 1 0 372.444 2.024 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(F)ccc1O ZINC000189162880 548298078 /nfs/dbraw/zinc/29/80/78/548298078.db2.gz ANHKDXVGAADGKR-LBPRGKRZSA-N 1 0 353.415 2.148 20 10 FECDRO C=Cn1cc(C[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000194184214 548446322 /nfs/dbraw/zinc/44/63/22/548446322.db2.gz UPLVDDLHGBBJOV-UHFFFAOYSA-N 1 0 355.486 2.294 20 10 FECDRO COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1F ZINC000237266892 548813361 /nfs/dbraw/zinc/81/33/61/548813361.db2.gz AWYXJSORXLPVCU-SFHVURJKSA-N 1 0 357.429 2.053 20 10 FECDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC[NH2+]CC1 ZINC000237894345 548862353 /nfs/dbraw/zinc/86/23/53/548862353.db2.gz VVNJNJQKDDLXCZ-AWEZNQCLSA-N 1 0 353.413 2.373 20 10 FECDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C1 ZINC000262630451 549833615 /nfs/dbraw/zinc/83/36/15/549833615.db2.gz DSLRKZWDLHGKSJ-QGZVFWFLSA-N 1 0 366.465 2.147 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000264572344 549998312 /nfs/dbraw/zinc/99/83/12/549998312.db2.gz HVAOLXKYTBCTRC-FQEVSTJZSA-N 1 0 358.530 2.271 20 10 FECDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000266539822 550021559 /nfs/dbraw/zinc/02/15/59/550021559.db2.gz LWGYHSLRHMSOEV-IBGZPJMESA-N 1 0 360.502 2.149 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000269224128 550169341 /nfs/dbraw/zinc/16/93/41/550169341.db2.gz DPXOYHFQMQNQTC-UXHICEINSA-N 1 0 374.529 2.272 20 10 FECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(OC)c(OC)cc1O)CC2 ZINC000271883668 550408192 /nfs/dbraw/zinc/40/81/92/550408192.db2.gz VTAAPFIJANGXFA-QZTJIDSGSA-N 1 0 351.443 2.161 20 10 FECDRO Cc1ccc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c(O)c1O ZINC000272783058 550470746 /nfs/dbraw/zinc/47/07/46/550470746.db2.gz VMCPQJOBWFVOTI-AWEZNQCLSA-N 1 0 356.426 2.194 20 10 FECDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(O)c1O ZINC000273065283 550483442 /nfs/dbraw/zinc/48/34/42/550483442.db2.gz ZBYLODJPEHNVRF-AEFFLSMTSA-N 1 0 370.449 2.019 20 10 FECDRO COC(=O)c1cn(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)nn1 ZINC000273700963 550508312 /nfs/dbraw/zinc/50/83/12/550508312.db2.gz DGRQNQHQIHRWRS-UHFFFAOYSA-N 1 0 350.806 2.261 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3nccnc3C)CC2)cc1 ZINC000275903064 550575104 /nfs/dbraw/zinc/57/51/04/550575104.db2.gz SMZCJBFZDCORJP-QGZVFWFLSA-N 1 0 355.486 2.266 20 10 FECDRO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1O ZINC000277910859 550728089 /nfs/dbraw/zinc/72/80/89/550728089.db2.gz XHTXNAOAXJIPPF-YOEHRIQHSA-N 1 0 363.845 2.190 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(O)c1 ZINC000279474135 550894228 /nfs/dbraw/zinc/89/42/28/550894228.db2.gz SNJVTNUOHRCECB-INIZCTEOSA-N 1 0 368.499 2.181 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282927091 551286189 /nfs/dbraw/zinc/28/61/89/551286189.db2.gz FPGOHXKLACRESW-MRXNPFEDSA-N 1 0 356.422 2.170 20 10 FECDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285512562 551767624 /nfs/dbraw/zinc/76/76/24/551767624.db2.gz JVBVTPASZKFJEH-XLIONFOSSA-N 1 0 358.530 2.270 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)OC3CCOCC3)cc2F)CC1 ZINC000289760146 552374064 /nfs/dbraw/zinc/37/40/64/552374064.db2.gz KRHNLEJJFSEXJS-UHFFFAOYSA-N 1 0 365.449 2.373 20 10 FECDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000289926924 552401003 /nfs/dbraw/zinc/40/10/03/552401003.db2.gz KRJQFIGQVIOOTC-WOJBJXKFSA-N 1 0 359.514 2.146 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000289947845 552404161 /nfs/dbraw/zinc/40/41/61/552404161.db2.gz YPAUSVZNYCPWLC-AUUYWEPGSA-N 1 0 361.442 2.134 20 10 FECDRO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+](C2CCC2)C1 ZINC000292068434 552690298 /nfs/dbraw/zinc/69/02/98/552690298.db2.gz CHMUHSOMMLLLGM-QGZVFWFLSA-N 1 0 358.530 2.175 20 10 FECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000296498086 553170088 /nfs/dbraw/zinc/17/00/88/553170088.db2.gz OYSKCIQBBQEYHP-GXSJLCMTSA-N 1 0 365.293 2.133 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000298484513 553430939 /nfs/dbraw/zinc/43/09/39/553430939.db2.gz PPKRVNISBBEDBO-UHFFFAOYSA-N 1 0 358.530 2.034 20 10 FECDRO COc1cc([N+](=O)[O-])c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000301864062 553686409 /nfs/dbraw/zinc/68/64/09/553686409.db2.gz AZZPOGGGRFSFER-AWEZNQCLSA-N 1 0 365.430 2.161 20 10 FECDRO COc1cc(O)c(CN2CCCC[C@H]2CCS(C)(=O)=O)cc1OC ZINC000366532267 555869385 /nfs/dbraw/zinc/86/93/85/555869385.db2.gz CEFMSUNLJNVFTF-AWEZNQCLSA-N 1 0 357.472 2.199 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)c1O ZINC000367175184 556002968 /nfs/dbraw/zinc/00/29/68/556002968.db2.gz ZIHBMDGKEUIILX-OLZOCXBDSA-N 1 0 369.259 2.406 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)c1O ZINC000367175186 556003138 /nfs/dbraw/zinc/00/31/38/556003138.db2.gz ZIHBMDGKEUIILX-STQMWFEESA-N 1 0 369.259 2.406 20 10 FECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052289 556204480 /nfs/dbraw/zinc/20/44/80/556204480.db2.gz VCGVSSDOEYVKOF-KSSFIOAISA-N 1 0 362.470 2.469 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368318985 556276646 /nfs/dbraw/zinc/27/66/46/556276646.db2.gz OXFYLZYOCIIBIS-SUMWQHHRSA-N 1 0 354.454 2.461 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000369125669 556510875 /nfs/dbraw/zinc/51/08/75/556510875.db2.gz OJEJTMAKIQODPI-UHFFFAOYSA-N 1 0 355.486 2.245 20 10 FECDRO COc1ccc(O)c(CNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000369770304 556689692 /nfs/dbraw/zinc/68/96/92/556689692.db2.gz OUKSRXKZTDFNCX-UHFFFAOYSA-N 1 0 358.442 2.013 20 10 FECDRO C[N@@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000371554477 557220258 /nfs/dbraw/zinc/22/02/58/557220258.db2.gz QFLVPZFAXZXFEI-JQVKTCLLSA-N 1 0 355.482 2.089 20 10 FECDRO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000375780703 558079432 /nfs/dbraw/zinc/07/94/32/558079432.db2.gz PZWXUBYSCHVOQJ-NSHDSACASA-N 1 0 368.434 2.006 20 10 FECDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000376046773 558118908 /nfs/dbraw/zinc/11/89/08/558118908.db2.gz RJBQLZRSEZTKRK-SFHVURJKSA-N 1 0 355.486 2.015 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cncnc2)c1 ZINC000377714664 558403600 /nfs/dbraw/zinc/40/36/00/558403600.db2.gz BTLFJFMIPIQZCM-BPUTZDHNSA-N 1 0 360.433 2.454 20 10 FECDRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000377942984 558449354 /nfs/dbraw/zinc/44/93/54/558449354.db2.gz BSEDRUDOPXJKKX-UHFFFAOYSA-N 1 0 358.891 2.482 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000378436548 558557004 /nfs/dbraw/zinc/55/70/04/558557004.db2.gz ZXPDWLYPKRXKBT-UHFFFAOYSA-N 1 0 358.530 2.271 20 10 FECDRO CCCNC(=O)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000443917827 560096060 /nfs/dbraw/zinc/09/60/60/560096060.db2.gz DXVUVOCTFQTNPH-UHFFFAOYSA-N 1 0 370.497 2.050 20 10 FECDRO COC[C@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)OC ZINC000444363817 560111824 /nfs/dbraw/zinc/11/18/24/560111824.db2.gz KLESIRLUHAXKCW-INIZCTEOSA-N 1 0 373.497 2.185 20 10 FECDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000529360866 562371014 /nfs/dbraw/zinc/37/10/14/562371014.db2.gz UKZDQCPSVBLZSL-SJLPKXTDSA-N 1 0 359.470 2.367 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1OC ZINC000529661681 562380301 /nfs/dbraw/zinc/38/03/01/562380301.db2.gz BEBJKAHBOMYOLA-UHFFFAOYSA-N 1 0 350.459 2.096 20 10 FECDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1-c1nn[nH]n1 ZINC000821818718 599420361 /nfs/dbraw/zinc/42/03/61/599420361.db2.gz ZOMHPKOEHVTABP-UHFFFAOYSA-N 1 0 356.405 2.370 20 10 FECDRO Cc1cccc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)c1O ZINC000809684653 674504950 /nfs/dbraw/zinc/50/49/50/674504950.db2.gz JOXFEHLEEQAWCL-UHFFFAOYSA-N 1 0 363.483 2.153 20 10 FECDRO CCCC[N@H+](CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051281105 670294632 /nfs/dbraw/zinc/29/46/32/670294632.db2.gz WETUHRMBHWJOIC-UHFFFAOYSA-N 1 0 351.466 2.401 20 10 FECDRO O=S(=O)(N[C@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1cccc(F)c1 ZINC000179569874 672403383 /nfs/dbraw/zinc/40/33/83/672403383.db2.gz CPJBXTXUMQECQH-INIZCTEOSA-N 1 0 364.442 2.474 20 10 FECDRO COCC(C)(C)[NH+]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000819941954 675326472 /nfs/dbraw/zinc/32/64/72/675326472.db2.gz CHDATDVVYONUSH-UHFFFAOYSA-N 1 0 353.419 2.159 20 10 FECDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000825883619 675672745 /nfs/dbraw/zinc/67/27/45/675672745.db2.gz YXCHMPPLPUEBGV-ZDUSSCGKSA-N 1 0 360.907 2.457 20 10 FECDRO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H](O)C1CCC1 ZINC000827311290 675747196 /nfs/dbraw/zinc/74/71/96/675747196.db2.gz XYJOOEGVKZQGKJ-RDJZCZTQSA-N 1 0 352.862 2.287 20 10 FECDRO CCOC(=O)CC1([NH2+]Cc2cc(OC)c(OC)cc2O)CCOCC1 ZINC000827757756 675776594 /nfs/dbraw/zinc/77/65/94/675776594.db2.gz LKMZNLCHJNWYTB-UHFFFAOYSA-N 1 0 353.415 2.001 20 10 FECDRO COCCC[N@H+](C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000830470258 677041559 /nfs/dbraw/zinc/04/15/59/677041559.db2.gz JHTFXFFYBMDKDZ-UHFFFAOYSA-N 1 0 362.499 2.014 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1O ZINC000839166299 680742425 /nfs/dbraw/zinc/74/24/25/680742425.db2.gz YKJIKEBREBPZFY-UHFFFAOYSA-N 1 0 354.878 2.325 20 10 FECDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764584584 680815810 /nfs/dbraw/zinc/81/58/10/680815810.db2.gz PWORJPFHXPLNEZ-CYBMUJFWSA-N 1 0 351.878 2.353 20 10 FECDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000764792930 680821351 /nfs/dbraw/zinc/82/13/51/680821351.db2.gz ZYXSPTJMRKUDST-LLVKDONJSA-N 1 0 356.264 2.296 20 10 FECDRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289644 680838414 /nfs/dbraw/zinc/83/84/14/680838414.db2.gz COJPMULBZBPGIO-DOTOQJQBSA-N 1 0 367.921 2.284 20 10 FECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840976433 680858317 /nfs/dbraw/zinc/85/83/17/680858317.db2.gz WFOJTQYAPQQDLK-IBGZPJMESA-N 1 0 350.434 2.437 20 10 FECDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000841042790 680860624 /nfs/dbraw/zinc/86/06/24/680860624.db2.gz ONEXMVMTXWOTAE-MRXNPFEDSA-N 1 0 356.495 2.456 20 10 FECDRO COc1cc(C[NH2+]CCc2ccc(N)cc2)cc(Cl)c1OCC(N)=O ZINC000841037188 680860683 /nfs/dbraw/zinc/86/06/83/680860683.db2.gz ZCMNQEHANOZLHN-UHFFFAOYSA-N 1 0 363.845 2.127 20 10 FECDRO CCCNC(=S)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000747766138 679902204 /nfs/dbraw/zinc/90/22/04/679902204.db2.gz ZCJMLVNJRJLFIH-UHFFFAOYSA-N 1 0 350.532 2.081 20 10 FECDRO C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[NH+](C)C ZINC000874080538 685289005 /nfs/dbraw/zinc/28/90/05/685289005.db2.gz PANQRUKIUMHXLH-GFCCVEGCSA-N 1 0 359.392 2.108 20 10 FECDRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)C2CCOCC2)c2c1c(F)ccc2O ZINC000834891165 680280729 /nfs/dbraw/zinc/28/07/29/680280729.db2.gz QTTGJNUAJKNSBQ-BXUZGUMPSA-N 1 0 357.447 2.263 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000835042149 680290017 /nfs/dbraw/zinc/29/00/17/680290017.db2.gz DODKHXOQJVHHRQ-ARJAWSKDSA-N 1 0 359.495 2.246 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000835044764 680290436 /nfs/dbraw/zinc/29/04/36/680290436.db2.gz OYMLCTHYVZTDSL-CKBPIOJVSA-N 1 0 351.516 2.073 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000835049843 680290907 /nfs/dbraw/zinc/29/09/07/680290907.db2.gz MQEPHXSDLXAYHI-OZZQIWQLSA-N 1 0 351.516 2.073 20 10 FECDRO CCS(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756399400 680476277 /nfs/dbraw/zinc/47/62/77/680476277.db2.gz NZKHXAGUMIACSM-FZMZJTMJSA-N 1 0 356.463 2.483 20 10 FECDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000758503403 680587656 /nfs/dbraw/zinc/58/76/56/680587656.db2.gz VBYGBWPCXXDOGH-UHFFFAOYSA-N 1 0 361.463 2.331 20 10 FECDRO [NH3+]C[C@@H](NC(=O)NCc1cc(Br)ccc1O)C1CCCC1 ZINC000841989537 680920441 /nfs/dbraw/zinc/92/04/41/680920441.db2.gz ZEJFBXOUDGKRAU-CYBMUJFWSA-N 1 0 356.264 2.471 20 10 FECDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1cccc(Br)c1O ZINC000842008496 680921760 /nfs/dbraw/zinc/92/17/60/680921760.db2.gz ZLFPZUBXBSBQKF-GFCCVEGCSA-N 1 0 356.264 2.486 20 10 FECDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000842208781 680932644 /nfs/dbraw/zinc/93/26/44/680932644.db2.gz XCPGTXHQEAALJA-INIZCTEOSA-N 1 0 357.292 2.272 20 10 FECDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000842225083 680933708 /nfs/dbraw/zinc/93/37/08/680933708.db2.gz HDMGRGYGAWYTIJ-MAUKXSAKSA-N 1 0 351.447 2.197 20 10 FECDRO CN(C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1)S(C)(=O)=O ZINC000768444686 680947193 /nfs/dbraw/zinc/94/71/93/680947193.db2.gz NOYGCFCMDPPKCE-UHFFFAOYSA-N 1 0 352.500 2.127 20 10 FECDRO Cc1cc(F)ccc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784410 680966121 /nfs/dbraw/zinc/96/61/21/680966121.db2.gz JMAGIZPRPISDSQ-INIZCTEOSA-N 1 0 351.447 2.178 20 10 FECDRO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)c1O ZINC000846146614 681189175 /nfs/dbraw/zinc/18/91/75/681189175.db2.gz SSNLOLIYKKPVCB-AWEZNQCLSA-N 1 0 364.467 2.171 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000848518459 681570643 /nfs/dbraw/zinc/57/06/43/681570643.db2.gz LSWBBBGZPQRWHU-JOYOIKCWSA-N 1 0 357.248 2.483 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)ccc1O ZINC000848564222 681579619 /nfs/dbraw/zinc/57/96/19/681579619.db2.gz JXQIPPDJDQUAQL-GXSJLCMTSA-N 1 0 351.248 2.491 20 10 FECDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1O ZINC000848926073 681643302 /nfs/dbraw/zinc/64/33/02/681643302.db2.gz KTHRJRQEINIFHD-LBPRGKRZSA-N 1 0 351.248 2.239 20 10 FECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000850322800 681885725 /nfs/dbraw/zinc/88/57/25/681885725.db2.gz IJSZVFLYBBXYJI-MRVWCRGKSA-N 1 0 354.397 2.089 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCCSCC3)cc2)CC1 ZINC000850435996 681901448 /nfs/dbraw/zinc/90/14/48/681901448.db2.gz QONPNILFBRFXSG-INIZCTEOSA-N 1 0 354.541 2.297 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852638875 682312269 /nfs/dbraw/zinc/31/22/69/682312269.db2.gz PUGQPNVVZJATMH-HNNXBMFYSA-N 1 0 353.850 2.098 20 10 FECDRO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000853248245 682398551 /nfs/dbraw/zinc/39/85/51/682398551.db2.gz PQYHSINTUJCOFK-UHFFFAOYSA-N 1 0 357.857 2.265 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000793586133 682897068 /nfs/dbraw/zinc/89/70/68/682897068.db2.gz GCJFXPWLOMTDNB-STQMWFEESA-N 1 0 357.292 2.350 20 10 FECDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1F ZINC000858105360 682934676 /nfs/dbraw/zinc/93/46/76/682934676.db2.gz FCAYVZBYTAWBRP-GOSISDBHSA-N 1 0 371.497 2.328 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1O ZINC000858489701 682972633 /nfs/dbraw/zinc/97/26/33/682972633.db2.gz JZLAXAOWCAHWMF-AAEUAGOBSA-N 1 0 358.833 2.413 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@H]2CNC(=O)C2)c1O ZINC000926975908 683192481 /nfs/dbraw/zinc/19/24/81/683192481.db2.gz BHFFHSOUICCZDV-VHSXEESVSA-N 1 0 357.248 2.340 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O ZINC000927147979 683212196 /nfs/dbraw/zinc/21/21/96/683212196.db2.gz VNAUJDXMJDSLMW-MWLCHTKSSA-N 1 0 351.248 2.491 20 10 FECDRO C[NH+]1CCC(NC(=S)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000920307190 683331896 /nfs/dbraw/zinc/33/18/96/683331896.db2.gz CHTDYPQTSWZALO-QGZVFWFLSA-N 1 0 363.527 2.342 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000799345688 683447154 /nfs/dbraw/zinc/44/71/54/683447154.db2.gz LQOOANNNBBHJEU-UHFFFAOYSA-N 1 0 369.437 2.099 20 10 FECDRO Cc1ccc(O)c(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000799346163 683447307 /nfs/dbraw/zinc/44/73/07/683447307.db2.gz YFJWVIFDNRYBRZ-UHFFFAOYSA-N 1 0 356.394 2.047 20 10 FECDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000862327068 683569545 /nfs/dbraw/zinc/56/95/45/683569545.db2.gz XKUTUCVOVCMFPS-HNNXBMFYSA-N 1 0 360.248 2.337 20 10 FECDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921994837 683633429 /nfs/dbraw/zinc/63/34/29/683633429.db2.gz GRXXZBMILHKVOK-UHFFFAOYSA-N 1 0 352.500 2.163 20 10 FECDRO CN(C)Cc1csc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000922490478 683733863 /nfs/dbraw/zinc/73/38/63/683733863.db2.gz PLYPBOQRDMWKLP-UHFFFAOYSA-N 1 0 359.543 2.246 20 10 FECDRO COc1c(O)c(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645087 683756682 /nfs/dbraw/zinc/75/66/82/683756682.db2.gz AXANTGZNGTUDNC-MNOVXSKESA-N 1 0 363.336 2.268 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1 ZINC000866492552 684111353 /nfs/dbraw/zinc/11/13/53/684111353.db2.gz PNPPNMLROICUND-JCURWCKSSA-N 1 0 368.499 2.444 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876878858 686286121 /nfs/dbraw/zinc/28/61/21/686286121.db2.gz CFCISEMQIMQGAS-WXJAXGNASA-N 1 0 366.845 2.103 20 10 FECDRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCCSc2nccs2)CC1 ZINC000877062110 686320733 /nfs/dbraw/zinc/32/07/33/686320733.db2.gz XZHYRZGKGVYJCZ-UHFFFAOYSA-N 1 0 363.574 2.465 20 10 FECDRO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1ccccc1O ZINC000879648798 686879914 /nfs/dbraw/zinc/87/99/14/686879914.db2.gz DYZPLKXANLTCNU-OAHLLOKOSA-N 1 0 359.495 2.449 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cn4ccnc4s3)cc2)CC1 ZINC000881853996 687235092 /nfs/dbraw/zinc/23/50/92/687235092.db2.gz RBJCEJRSGADBOU-UHFFFAOYSA-N 1 0 355.467 2.078 20 10 FECDRO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000883306353 687605360 /nfs/dbraw/zinc/60/53/60/687605360.db2.gz TZNFKFQCVXRFKU-HOCLYGCPSA-N 1 0 370.490 2.280 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000883369962 687616560 /nfs/dbraw/zinc/61/65/60/687616560.db2.gz DEWOEGCJJFLHKY-DOTOQJQBSA-N 1 0 367.921 2.493 20 10 FECDRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890761405 688963005 /nfs/dbraw/zinc/96/30/05/688963005.db2.gz QMFWOYONBXTQHE-HUUCEWRRSA-N 1 0 362.861 2.131 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)C2(Br)CC2)[NH+](C)C)cc1 ZINC000891250263 689039875 /nfs/dbraw/zinc/03/98/75/689039875.db2.gz WAHIKWYZMJGLHX-CQSZACIVSA-N 1 0 354.292 2.399 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)c2csc3cncn32)[NH+](C)C)cc1 ZINC000891251867 689040119 /nfs/dbraw/zinc/04/01/19/689040119.db2.gz HTIFXBGCLDCQHX-HNNXBMFYSA-N 1 0 357.483 2.495 20 10 FECDRO COC(=O)[C@@H]1[C@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1(F)F ZINC000894216917 689488225 /nfs/dbraw/zinc/48/82/25/689488225.db2.gz WQCVUTOJYPIAGG-HOTGVXAUSA-N 1 0 354.397 2.308 20 10 FECDRO COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)C1(F)F ZINC000895051974 689648469 /nfs/dbraw/zinc/64/84/69/689648469.db2.gz UNITYXCHLIYCEB-WQVCFCJDSA-N 1 0 354.397 2.165 20 10 FECDRO COC[C@@H](CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC)OC ZINC000895229120 689680469 /nfs/dbraw/zinc/68/04/69/689680469.db2.gz RQCAMKGWVLVQMN-CYBMUJFWSA-N 1 0 352.406 2.245 20 10 FECDRO CCOc1cccc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1O ZINC000898364093 690166201 /nfs/dbraw/zinc/16/62/01/690166201.db2.gz HZOMCACYDDXOGI-GFCCVEGCSA-N 1 0 364.833 2.308 20 10 FECDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCS(=O)(=O)CC1 ZINC000898449487 690185808 /nfs/dbraw/zinc/18/58/08/690185808.db2.gz GQWBOJWXAGCZOQ-BEFAXECRSA-N 1 0 367.559 2.158 20 10 FECDRO C[C@@H](CCCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098605 690303349 /nfs/dbraw/zinc/30/33/49/690303349.db2.gz PTKXTMVHYMBUOB-YJBOKZPZSA-N 1 0 350.507 2.063 20 10 FECDRO CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)O ZINC000899103894 690305186 /nfs/dbraw/zinc/30/51/86/690305186.db2.gz OUXHBBAFDGTCCG-IAGOWNOFSA-N 1 0 350.507 2.204 20 10 FECDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1O ZINC000359957135 210199306 /nfs/dbraw/zinc/19/93/06/210199306.db2.gz GMGUYZGRYRJSSX-GOSISDBHSA-N 1 0 370.877 2.025 20 10 FECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000066203299 541290053 /nfs/dbraw/zinc/29/00/53/541290053.db2.gz BIAUNKRRKUMHTE-QGZVFWFLSA-N 1 0 362.518 2.395 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)cc2F)CC1 ZINC000070856480 541747077 /nfs/dbraw/zinc/74/70/77/541747077.db2.gz XOKGCPDMBWHORY-MDZRGWNJSA-N 1 0 361.461 2.151 20 10 FECDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000083063852 542691412 /nfs/dbraw/zinc/69/14/12/542691412.db2.gz FUCHBDGWHARJRJ-UHFFFAOYSA-N 1 0 362.518 2.441 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000085857240 542733282 /nfs/dbraw/zinc/73/32/82/542733282.db2.gz LLOAGWAXABKMCE-DLBZAZTESA-N 1 0 350.434 2.155 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c(O)c1 ZINC000091898180 542831316 /nfs/dbraw/zinc/83/13/16/542831316.db2.gz JZFGHNDSEWCRKG-MRXNPFEDSA-N 1 0 356.488 2.083 20 10 FECDRO CCOc1cccc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1O ZINC000120081375 543675624 /nfs/dbraw/zinc/67/56/24/543675624.db2.gz KDLOLOZTBXUDMQ-UHFFFAOYSA-N 1 0 362.470 2.298 20 10 FECDRO COc1ccc(N2CCC([NH2+]Cc3cccc(OCC(N)=O)c3)CC2)cc1 ZINC000128852128 544076980 /nfs/dbraw/zinc/07/69/80/544076980.db2.gz ZNPPAOXTTREIBO-UHFFFAOYSA-N 1 0 369.465 2.318 20 10 FECDRO C[NH+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000133782848 544283197 /nfs/dbraw/zinc/28/31/97/544283197.db2.gz OSTHLHAEQABQGO-CYBMUJFWSA-N 1 0 356.417 2.118 20 10 FECDRO COCCOCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260069 544300563 /nfs/dbraw/zinc/30/05/63/544300563.db2.gz ZLBMUYMYLWGJAR-INIZCTEOSA-N 1 0 370.877 2.179 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000154142935 544870208 /nfs/dbraw/zinc/87/02/08/544870208.db2.gz BWJYMKQDYJHOSJ-UHFFFAOYSA-N 1 0 357.458 2.269 20 10 FECDRO CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(Br)ccc1O ZINC000155108606 544990776 /nfs/dbraw/zinc/99/07/76/544990776.db2.gz WTCXVGGYYTWNEK-ZDUSSCGKSA-N 1 0 371.275 2.478 20 10 FECDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000174208555 546293412 /nfs/dbraw/zinc/29/34/12/546293412.db2.gz QGIRNPRJWLJEPH-IBGZPJMESA-N 1 0 360.546 2.375 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000175786180 546349866 /nfs/dbraw/zinc/34/98/66/546349866.db2.gz TUCQLPJYENZXTP-QGZVFWFLSA-N 1 0 362.518 2.197 20 10 FECDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1O ZINC000177296948 546589604 /nfs/dbraw/zinc/58/96/04/546589604.db2.gz QRJITJXDNYFONP-CQSZACIVSA-N 1 0 352.862 2.402 20 10 FECDRO COc1ccc(N2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1F ZINC000178867769 546864067 /nfs/dbraw/zinc/86/40/67/546864067.db2.gz SLHPFBBHVCKBCS-MQVJKMGUSA-N 1 0 361.461 2.404 20 10 FECDRO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000180610068 547141327 /nfs/dbraw/zinc/14/13/27/547141327.db2.gz FNWBWJISKOLXRK-NVXWUHKLSA-N 1 0 369.513 2.467 20 10 FECDRO C[NH+]1CCN(Cc2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)CC1 ZINC000180704582 547161741 /nfs/dbraw/zinc/16/17/41/547161741.db2.gz HHYCYRXYEJSWHD-SOFGYWHQSA-N 1 0 367.449 2.497 20 10 FECDRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183519311 547674313 /nfs/dbraw/zinc/67/43/13/547674313.db2.gz UCTKQRKQYXKBEV-AWEZNQCLSA-N 1 0 364.467 2.168 20 10 FECDRO COc1cc(N2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)cc(OC)c1OC ZINC000183706634 547704511 /nfs/dbraw/zinc/70/45/11/547704511.db2.gz XHBUDFMOWHXLJI-INIZCTEOSA-N 1 0 363.502 2.319 20 10 FECDRO COc1cc(N2CC[NH+](CCCn3ccnc3)CC2)cc(OC)c1OC ZINC000183700972 547704825 /nfs/dbraw/zinc/70/48/25/547704825.db2.gz IYSSJSBUGGUXMX-UHFFFAOYSA-N 1 0 360.458 2.121 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185075851 547928521 /nfs/dbraw/zinc/92/85/21/547928521.db2.gz KJHWUJXQRDIHLN-UHFFFAOYSA-N 1 0 361.417 2.451 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000185140747 547938970 /nfs/dbraw/zinc/93/89/70/547938970.db2.gz NXSWYDBMHGXERM-RDTXWAMCSA-N 1 0 352.500 2.259 20 10 FECDRO C[C@@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1cc(F)ccc1O ZINC000185339904 547973568 /nfs/dbraw/zinc/97/35/68/547973568.db2.gz DUCLOWDPKZKGBH-CYBMUJFWSA-N 1 0 372.444 2.479 20 10 FECDRO CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000190157717 548319458 /nfs/dbraw/zinc/31/94/58/548319458.db2.gz KDICTWLDCFKXPE-ZWKOTPCHSA-N 1 0 358.442 2.177 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000191807171 548351167 /nfs/dbraw/zinc/35/11/67/548351167.db2.gz VJJGAWBAXYNMJK-MRXNPFEDSA-N 1 0 374.412 2.439 20 10 FECDRO CN(C)c1noc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000194931832 548552844 /nfs/dbraw/zinc/55/28/44/548552844.db2.gz CBXIOZUWXJJHQL-KRWDZBQOSA-N 1 0 371.485 2.352 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000237221154 548809891 /nfs/dbraw/zinc/80/98/91/548809891.db2.gz GFZXUZCSQNKVNP-FQEVSTJZSA-N 1 0 353.466 2.052 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000237222381 548810570 /nfs/dbraw/zinc/81/05/70/548810570.db2.gz GFZXUZCSQNKVNP-HXUWFJFHSA-N 1 0 353.466 2.052 20 10 FECDRO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237327698 548818340 /nfs/dbraw/zinc/81/83/40/548818340.db2.gz TZSDRMWPNFNORZ-DOMZBBRYSA-N 1 0 373.469 2.453 20 10 FECDRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NCc1ccccc1O ZINC000264271747 549993855 /nfs/dbraw/zinc/99/38/55/549993855.db2.gz HRZRBAGANLJSIR-UHFFFAOYSA-N 1 0 369.465 2.348 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000268845607 550122679 /nfs/dbraw/zinc/12/26/79/550122679.db2.gz RQTCKMOBXAOVNG-INIZCTEOSA-N 1 0 357.502 2.210 20 10 FECDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000268967066 550138538 /nfs/dbraw/zinc/13/85/38/550138538.db2.gz YSGATEKUJYYXLN-DOTOQJQBSA-N 1 0 351.466 2.034 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000269224129 550169442 /nfs/dbraw/zinc/16/94/42/550169442.db2.gz DPXOYHFQMQNQTC-VQTJNVASSA-N 1 0 374.529 2.272 20 10 FECDRO CCOc1cccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1O ZINC000271136146 550343739 /nfs/dbraw/zinc/34/37/39/550343739.db2.gz MRKPFHVBQNZHHX-GDBMZVCRSA-N 1 0 350.459 2.154 20 10 FECDRO Cc1ccc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c(O)c1O ZINC000272783059 550470716 /nfs/dbraw/zinc/47/07/16/550470716.db2.gz VMCPQJOBWFVOTI-CQSZACIVSA-N 1 0 356.426 2.194 20 10 FECDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273585284 550504297 /nfs/dbraw/zinc/50/42/97/550504297.db2.gz NSOZJSHHMIXVSJ-HZPDHXFCSA-N 1 0 363.502 2.103 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277394779 550665095 /nfs/dbraw/zinc/66/50/95/550665095.db2.gz JKWNNRWJRPWZGG-HXUWFJFHSA-N 1 0 372.513 2.339 20 10 FECDRO CCCOc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](OCCOC)C2)c(O)c1 ZINC000278748033 550817558 /nfs/dbraw/zinc/81/75/58/550817558.db2.gz RTKHSRJYAMFCKF-QAPCUYQASA-N 1 0 353.459 2.027 20 10 FECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000282361219 551217031 /nfs/dbraw/zinc/21/70/31/551217031.db2.gz DIRPBTJTHZEIRU-INIZCTEOSA-N 1 0 361.486 2.074 20 10 FECDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000284546005 551574635 /nfs/dbraw/zinc/57/46/35/551574635.db2.gz XSQIGDRBRZSNFX-QOKNQOGYSA-N 1 0 368.493 2.471 20 10 FECDRO Cc1ccc(O)c(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)c1 ZINC000285442072 551757432 /nfs/dbraw/zinc/75/74/32/551757432.db2.gz FSSBBBLPJRVENB-UHFFFAOYSA-N 1 0 363.483 2.153 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000285710004 551799317 /nfs/dbraw/zinc/79/93/17/551799317.db2.gz PMALQIPJMRPYPZ-WZYMTQMTSA-N 1 0 361.486 2.135 20 10 FECDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287039357 551955124 /nfs/dbraw/zinc/95/51/24/551955124.db2.gz FLHAJZDANWGTHF-FXAWDEMLSA-N 1 0 372.513 2.291 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287170121 551972253 /nfs/dbraw/zinc/97/22/53/551972253.db2.gz MYWPWSZTCPTDPH-IEBWSBKVSA-N 1 0 374.529 2.090 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000288960803 552243917 /nfs/dbraw/zinc/24/39/17/552243917.db2.gz HEXNYJWKZFYQIG-CRAIPNDOSA-N 1 0 373.497 2.120 20 10 FECDRO COc1c([O-])c(C[NH2+]CCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000289264558 552291393 /nfs/dbraw/zinc/29/13/93/552291393.db2.gz FVRIMYAVANJXMD-UHFFFAOYSA-N 1 0 371.191 2.058 20 10 FECDRO Cc1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)n1-c1ccccc1 ZINC000289320023 552300681 /nfs/dbraw/zinc/30/06/81/552300681.db2.gz UOMIBOSJCDNUCQ-LJQANCHMSA-N 1 0 352.482 2.214 20 10 FECDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1O ZINC000289369396 552308973 /nfs/dbraw/zinc/30/89/73/552308973.db2.gz LGUBVKHOJSTGLY-CYBMUJFWSA-N 1 0 360.907 2.457 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290221201 552444417 /nfs/dbraw/zinc/44/44/17/552444417.db2.gz SYQDHTXDHIAZHE-SQZHUTIHSA-N 1 0 369.509 2.385 20 10 FECDRO COc1c(O)c(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000292861179 552765795 /nfs/dbraw/zinc/76/57/95/552765795.db2.gz VISBWFYBCACFRZ-UHFFFAOYSA-N 1 0 373.413 2.297 20 10 FECDRO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(N(C)C)c(C)c1 ZINC000294363111 552900493 /nfs/dbraw/zinc/90/04/93/552900493.db2.gz ASZYPJDDQJTKPP-GOSISDBHSA-N 1 0 362.518 2.043 20 10 FECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295058404 552954934 /nfs/dbraw/zinc/95/49/34/552954934.db2.gz GJAONYVOFBLPRM-AWEZNQCLSA-N 1 0 354.447 2.108 20 10 FECDRO CCOc1cccc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000295128738 552961653 /nfs/dbraw/zinc/96/16/53/552961653.db2.gz OEWCIZOFNCKVFL-CQSZACIVSA-N 1 0 354.447 2.108 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000295963471 553082233 /nfs/dbraw/zinc/08/22/33/553082233.db2.gz JRXAJZRTTIGZMW-RLLQIKCJSA-N 1 0 357.498 2.306 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298705651 553461027 /nfs/dbraw/zinc/46/10/27/553461027.db2.gz FISHYYJQBJCORY-PMACEKPBSA-N 1 0 372.513 2.291 20 10 FECDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000360021362 554859746 /nfs/dbraw/zinc/85/97/46/554859746.db2.gz NMAVXQAGHSMTFZ-LAUBAEHRSA-N 1 0 370.497 2.487 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)C[C@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000361334448 554917067 /nfs/dbraw/zinc/91/70/67/554917067.db2.gz FWHKBDQMWXRBSO-HNNXBMFYSA-N 1 0 354.516 2.277 20 10 FECDRO Cc1nccc(CN2CCC[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2=O)n1 ZINC000363971224 555224312 /nfs/dbraw/zinc/22/43/12/555224312.db2.gz HKQZGJZIVVEUIQ-INIZCTEOSA-N 1 0 360.845 2.425 20 10 FECDRO O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000364239199 555276539 /nfs/dbraw/zinc/27/65/39/555276539.db2.gz SWDHSKXWMFPLID-OAHLLOKOSA-N 1 0 363.477 2.183 20 10 FECDRO COc1ccc(N2CCC[N@H+](C[C@H](O)COCC(F)(F)F)CC2)cc1 ZINC000366414308 555836856 /nfs/dbraw/zinc/83/68/56/555836856.db2.gz JJHFFOPLXWXBLU-HNNXBMFYSA-N 1 0 362.392 2.147 20 10 FECDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1O ZINC000367741701 556127532 /nfs/dbraw/zinc/12/75/32/556127532.db2.gz UYNJIVYOQCVBHP-CQSZACIVSA-N 1 0 368.275 2.453 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000368629810 556368819 /nfs/dbraw/zinc/36/88/19/556368819.db2.gz BJEDXDCGLHAXIS-LJQANCHMSA-N 1 0 352.482 2.328 20 10 FECDRO Cc1nccc(CN2CCC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2=O)n1 ZINC000369892877 556723316 /nfs/dbraw/zinc/72/33/16/556723316.db2.gz MYLOEXBQXRTGSS-SJCJKPOMSA-N 1 0 358.417 2.472 20 10 FECDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2c(O)ccc3ccccc32)C1=O ZINC000371083925 557069957 /nfs/dbraw/zinc/06/99/57/557069957.db2.gz FEGKHRUFGMPULD-VBKZILBWSA-N 1 0 353.422 2.356 20 10 FECDRO COc1ccc(N2CCC([NH2+]CCCCCS(C)(=O)=O)CC2)cc1 ZINC000372338099 557444285 /nfs/dbraw/zinc/44/42/85/557444285.db2.gz PENRNJLINGOOPN-UHFFFAOYSA-N 1 0 354.516 2.469 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)cc1OC ZINC000374786067 557931086 /nfs/dbraw/zinc/93/10/86/557931086.db2.gz YBYXJMGSUCXXHK-CYBMUJFWSA-N 1 0 374.441 2.471 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)c(O)c1 ZINC000375200682 557991158 /nfs/dbraw/zinc/99/11/58/557991158.db2.gz IOWHBFWRDZTRKP-AWEZNQCLSA-N 1 0 360.414 2.006 20 10 FECDRO CCCN(C(=O)C(=O)NCc1c(C)c2ccccc2n1C)C1CC[NH2+]CC1 ZINC000419706751 559455170 /nfs/dbraw/zinc/45/51/70/559455170.db2.gz KVZFDNPSWKLRLX-UHFFFAOYSA-N 1 0 370.497 2.094 20 10 FECDRO CCNC(=O)[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435621184 559926541 /nfs/dbraw/zinc/92/65/41/559926541.db2.gz JOHLWISIWBDUEN-OAHLLOKOSA-N 1 0 370.497 2.049 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000472280589 561022835 /nfs/dbraw/zinc/02/28/35/561022835.db2.gz AAFAXCVNMGFKAS-KRWDZBQOSA-N 1 0 372.513 2.379 20 10 FECDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c2c1c(F)ccc2O ZINC000527955334 562309480 /nfs/dbraw/zinc/30/94/80/562309480.db2.gz NPAPXKCTMJYPBR-AFBRZQFHSA-N 1 0 364.461 2.285 20 10 FECDRO O=C(CCc1ncc[nH]1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108521 674405300 /nfs/dbraw/zinc/40/53/00/674405300.db2.gz XNOYDRMIBGURCY-OAHLLOKOSA-N 1 0 362.861 2.482 20 10 FECDRO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)C1CC1 ZINC000809784126 674509862 /nfs/dbraw/zinc/50/98/62/674509862.db2.gz HJXYNLDXEYJKNF-GFCCVEGCSA-N 1 0 358.891 2.339 20 10 FECDRO C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000833812609 605992742 /nfs/dbraw/zinc/99/27/42/605992742.db2.gz KPUJHAOMCIYRGZ-SJLPKXTDSA-N 1 0 360.502 2.307 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)c(C(F)(F)F)c1 ZINC000817420554 675131565 /nfs/dbraw/zinc/13/15/65/675131565.db2.gz VMRXSQSXTROURI-LBPRGKRZSA-N 1 0 354.380 2.253 20 10 FECDRO CCCNC(=O)C[N@H+](CCC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092192339 670735693 /nfs/dbraw/zinc/73/56/93/670735693.db2.gz AEKBVOABZNFEAX-UHFFFAOYSA-N 1 0 351.466 2.401 20 10 FECDRO CC(C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000101983801 670771846 /nfs/dbraw/zinc/77/18/46/670771846.db2.gz GKZPSMIROXXEET-UHFFFAOYSA-N 1 0 350.532 2.379 20 10 FECDRO COC[C@]1(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC[NH2+]1 ZINC000817974387 675188626 /nfs/dbraw/zinc/18/86/26/675188626.db2.gz LCGRSIHQLWSVFK-HNAYVOBHSA-N 1 0 351.466 2.082 20 10 FECDRO COC[C@@]1(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC[NH2+]1 ZINC000817974388 675188643 /nfs/dbraw/zinc/18/86/43/675188643.db2.gz LCGRSIHQLWSVFK-KXBFYZLASA-N 1 0 351.466 2.082 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000131049749 672083198 /nfs/dbraw/zinc/08/31/98/672083198.db2.gz RJTDKETZMLPVER-ZRNGKTOUSA-N 1 0 350.278 2.362 20 10 FECDRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179575097 672403426 /nfs/dbraw/zinc/40/34/26/672403426.db2.gz FRZWKGFPIPBJHZ-UHFFFAOYSA-N 1 0 366.405 2.181 20 10 FECDRO COC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000187796968 672577692 /nfs/dbraw/zinc/57/76/92/672577692.db2.gz OGUMMXVYWXVMEQ-SFHVURJKSA-N 1 0 352.450 2.194 20 10 FECDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000192843875 672703919 /nfs/dbraw/zinc/70/39/19/672703919.db2.gz YCFACRVWSAEBCG-CYBMUJFWSA-N 1 0 356.488 2.256 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)C2)cc1 ZINC000818343012 675215598 /nfs/dbraw/zinc/21/55/98/675215598.db2.gz XXDXGTKJZPBQMA-ATZDWAIDSA-N 1 0 366.527 2.467 20 10 FECDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000818349935 675215696 /nfs/dbraw/zinc/21/56/96/675215696.db2.gz PQPWONNYQKSBDH-AWEZNQCLSA-N 1 0 358.479 2.138 20 10 FECDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823789635 675571896 /nfs/dbraw/zinc/57/18/96/675571896.db2.gz NIXBXYSOZYFYTI-UHFFFAOYSA-N 1 0 367.540 2.413 20 10 FECDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)CC12COC2 ZINC000824489716 675606096 /nfs/dbraw/zinc/60/60/96/675606096.db2.gz PWQIXJJJFOKMAA-CYBMUJFWSA-N 1 0 355.818 2.066 20 10 FECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000824677187 675616258 /nfs/dbraw/zinc/61/62/58/675616258.db2.gz AXVOZIYDLUOIHS-SFHVURJKSA-N 1 0 351.466 2.255 20 10 FECDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Br)cc3O)[C@H]2C1 ZINC000826011838 675677876 /nfs/dbraw/zinc/67/78/76/675677876.db2.gz JJNCNOQDZDEVJF-GOEBONIOSA-N 1 0 355.276 2.450 20 10 FECDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000826123358 675682795 /nfs/dbraw/zinc/68/27/95/675682795.db2.gz LJADZGBJFHHKRD-UHFFFAOYSA-N 1 0 362.289 2.459 20 10 FECDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cccc3nsnc31)CCC2 ZINC000624387843 676576533 /nfs/dbraw/zinc/57/65/33/676576533.db2.gz CUGHFEMGDFLQKT-UHFFFAOYSA-N 1 0 360.464 2.292 20 10 FECDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000830665222 677053387 /nfs/dbraw/zinc/05/33/87/677053387.db2.gz QZIISRFVHGKBJX-YVEFUNNKSA-N 1 0 357.376 2.075 20 10 FECDRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840930472 680854475 /nfs/dbraw/zinc/85/44/75/680854475.db2.gz WUGCEFZJONOVSB-UHFFFAOYSA-N 1 0 361.511 2.400 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000840950824 680856407 /nfs/dbraw/zinc/85/64/07/680856407.db2.gz OSHQXNAGZRLSSX-QGZVFWFLSA-N 1 0 351.491 2.378 20 10 FECDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)c1ccsc1 ZINC000841006198 680859311 /nfs/dbraw/zinc/85/93/11/680859311.db2.gz CMFVOSOOMLEEEI-INIZCTEOSA-N 1 0 360.483 2.468 20 10 FECDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCOCC1 ZINC000765977310 680861961 /nfs/dbraw/zinc/86/19/61/680861961.db2.gz DSUROJLDNKUSLC-IBGZPJMESA-N 1 0 366.527 2.216 20 10 FECDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c(O)c1C ZINC000756563056 680485798 /nfs/dbraw/zinc/48/57/98/680485798.db2.gz LCQINPTXHLNYKX-OAHLLOKOSA-N 1 0 354.516 2.169 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000841707174 680908362 /nfs/dbraw/zinc/90/83/62/680908362.db2.gz OWUPHCVTRCMGBL-WMZOPIPTSA-N 1 0 360.527 2.133 20 10 FECDRO C[C@@H](CC[NH3+])NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841779861 680911763 /nfs/dbraw/zinc/91/17/63/680911763.db2.gz APXYQVAETVJZQF-LBPRGKRZSA-N 1 0 356.417 2.293 20 10 FECDRO C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1CCC[NH2+]C1 ZINC000841929688 680917841 /nfs/dbraw/zinc/91/78/41/680917841.db2.gz ZMZGFZMWIGUGNB-GHMZBOCLSA-N 1 0 356.264 2.342 20 10 FECDRO O=S1(=O)C[C@H](C[NH2+]Cc2c(O)cccc2Cl)Oc2ccccc21 ZINC000842723132 680962252 /nfs/dbraw/zinc/96/22/52/680962252.db2.gz XTOMRDJSYRRGTM-NSHDSACASA-N 1 0 353.827 2.370 20 10 FECDRO CSc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842786120 680966482 /nfs/dbraw/zinc/96/64/82/680966482.db2.gz ZNVDVMNLLCYWNO-KRWDZBQOSA-N 1 0 365.524 2.453 20 10 FECDRO O=C([C@H]1C[NH2+]CCC1(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843487103 681006515 /nfs/dbraw/zinc/00/65/15/681006515.db2.gz ZLIZVYPAGRCPMM-LSDHHAIUSA-N 1 0 354.397 2.145 20 10 FECDRO [NH3+][C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000844171787 681042985 /nfs/dbraw/zinc/04/29/85/681042985.db2.gz WUEJAIRVCXFPRW-SFHVURJKSA-N 1 0 359.857 2.493 20 10 FECDRO CC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000846035529 681176108 /nfs/dbraw/zinc/17/61/08/681176108.db2.gz VIOGCQCEBDRMNP-AAEUAGOBSA-N 1 0 366.405 2.486 20 10 FECDRO C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665390 681322403 /nfs/dbraw/zinc/32/24/03/681322403.db2.gz PIOWVAKHLGTKQL-UHFFFAOYSA-N 1 0 357.857 2.075 20 10 FECDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000847411373 681375262 /nfs/dbraw/zinc/37/52/62/681375262.db2.gz GMWCEJRVDPCKSF-KLPPZKSPSA-N 1 0 356.264 2.294 20 10 FECDRO CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c(O)c1 ZINC000776957318 681450871 /nfs/dbraw/zinc/45/08/71/681450871.db2.gz CBDQIKNCIUVJHF-UHFFFAOYSA-N 1 0 370.515 2.331 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848578858 681581925 /nfs/dbraw/zinc/58/19/25/681581925.db2.gz TYUCCGBMMQOASU-LBPRGKRZSA-N 1 0 371.231 2.236 20 10 FECDRO CCc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000848901939 681640185 /nfs/dbraw/zinc/64/01/85/681640185.db2.gz GQPWHBAAGLDTKA-UHFFFAOYSA-N 1 0 364.423 2.426 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c1O ZINC000850344068 681888224 /nfs/dbraw/zinc/88/82/24/681888224.db2.gz ATDQFIYQZAUEQD-YGRLFVJLSA-N 1 0 360.248 2.304 20 10 FECDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000850484866 681906638 /nfs/dbraw/zinc/90/66/38/681906638.db2.gz SIYDKEINYFHQMI-URLQWDBASA-N 1 0 352.450 2.364 20 10 FECDRO COc1cc(Br)cc(CN2CC[N@H+](CCO)C(C)(C)C2)c1O ZINC000783713831 682168664 /nfs/dbraw/zinc/16/86/64/682168664.db2.gz LECAXMCUWBTRDJ-UHFFFAOYSA-N 1 0 373.291 2.052 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCSC(C)(C)CC1)cc2=O ZINC000789343494 682594998 /nfs/dbraw/zinc/59/49/98/682594998.db2.gz YSLOGWPXQKCIKR-UHFFFAOYSA-N 1 0 364.471 2.329 20 10 FECDRO Fc1cc(C[NH2+]C[C@H]2CCCN2CC(F)F)ccc1N1CCOCC1 ZINC000858231668 682947281 /nfs/dbraw/zinc/94/72/81/682947281.db2.gz NZYVVZUCIJSIDX-OAHLLOKOSA-N 1 0 357.420 2.481 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)c2ccnn2C)c1O ZINC000858435613 682968076 /nfs/dbraw/zinc/96/80/76/682968076.db2.gz MWFZQQWKTHEWAV-BXKDBHETSA-N 1 0 370.247 2.281 20 10 FECDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1cc(F)ccc1O ZINC000799726748 683488595 /nfs/dbraw/zinc/48/85/95/683488595.db2.gz RTLGRPHFTZEKNI-JTQLQIEISA-N 1 0 374.384 2.439 20 10 FECDRO CN(C)c1cc(F)c(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1F ZINC000922620458 683756470 /nfs/dbraw/zinc/75/64/70/683756470.db2.gz RZWXXFWQBRXPEJ-UHFFFAOYSA-N 1 0 356.413 2.169 20 10 FECDRO COc1cccc(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c1O ZINC000865776389 684027203 /nfs/dbraw/zinc/02/72/03/684027203.db2.gz UQRYTBXSZRXKPO-UHFFFAOYSA-N 1 0 350.459 2.297 20 10 FECDRO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCCSc1nccs1 ZINC000876662156 686239064 /nfs/dbraw/zinc/23/90/64/686239064.db2.gz MBXRHQJBVTXWAM-HNNXBMFYSA-N 1 0 364.540 2.201 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+]Cc3snnc3C)CC2)cc1 ZINC000876901008 686290943 /nfs/dbraw/zinc/29/09/43/686290943.db2.gz WLQIYAJNLMFJCY-UHFFFAOYSA-N 1 0 361.515 2.157 20 10 FECDRO CC1CCN(c2ccc(CNCc3ccc(S(N)(=O)=O)o3)cc2)CC1 ZINC000877024971 686313572 /nfs/dbraw/zinc/31/35/72/686313572.db2.gz VBDZQKHNNGUFDP-UHFFFAOYSA-N 1 0 363.483 2.453 20 10 FECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC000877030460 686314484 /nfs/dbraw/zinc/31/44/84/686314484.db2.gz HSXNRCKFDDRVSM-IBGZPJMESA-N 1 0 366.527 2.216 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000877591563 686418169 /nfs/dbraw/zinc/41/81/69/686418169.db2.gz FYTMHZPSSFPHHA-CYBMUJFWSA-N 1 0 367.540 2.491 20 10 FECDRO COC1CCN(c2ccc(Cn3cc(CSCC[NH3+])nn3)cc2)CC1 ZINC000881379874 687128768 /nfs/dbraw/zinc/12/87/68/687128768.db2.gz BLMSNWSUTYFWIK-UHFFFAOYSA-N 1 0 361.515 2.134 20 10 FECDRO CCNc1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000881851142 687234497 /nfs/dbraw/zinc/23/44/97/687234497.db2.gz OMNBFAUZXRXESG-UHFFFAOYSA-N 1 0 359.499 2.257 20 10 FECDRO C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cc2c(cc1O)CCCC2 ZINC000886736602 688298632 /nfs/dbraw/zinc/29/86/32/688298632.db2.gz FSJJJEOCQURWMQ-CYBMUJFWSA-N 1 0 352.500 2.346 20 10 FECDRO COc1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(O)c1OC ZINC000891589365 689080884 /nfs/dbraw/zinc/08/08/84/689080884.db2.gz NDUHUPKRETYYIG-MRXNPFEDSA-N 1 0 350.459 2.096 20 10 FECDRO C[C@@H]1C[NH+](CCCNC(=O)NCc2cccc(Cl)c2O)C[C@@H](C)O1 ZINC000891728281 689098053 /nfs/dbraw/zinc/09/80/53/689098053.db2.gz MJYBOWDEXKQAHU-CHWSQXEVSA-N 1 0 355.866 2.344 20 10 FECDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCS(=O)CC3)cc2F)C[C@H](C)O1 ZINC000892621592 689219791 /nfs/dbraw/zinc/21/97/91/689219791.db2.gz LTIPGBONTMAHNI-PFGQWAAWSA-N 1 0 354.491 2.440 20 10 FECDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)c(O)c1OC ZINC000892678802 689227223 /nfs/dbraw/zinc/22/72/23/689227223.db2.gz KWSXRXKSOHYGGJ-CQSZACIVSA-N 1 0 351.374 2.078 20 10 FECDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c(O)c1OC ZINC000893140947 689302797 /nfs/dbraw/zinc/30/27/97/689302797.db2.gz ZYQGTXOONXXFLX-UHFFFAOYSA-N 1 0 363.435 2.029 20 10 FECDRO COc1cc(C)cc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c1O ZINC000894206305 689486644 /nfs/dbraw/zinc/48/66/44/689486644.db2.gz DYENHNWNFHSNPL-UHFFFAOYSA-N 1 0 364.467 2.086 20 10 FECDRO COC(=O)c1c(C[NH2+][C@@H](C)[C@@H](CO)SC)c2cc(F)ccc2n1C ZINC000894279815 689499567 /nfs/dbraw/zinc/49/95/67/689499567.db2.gz AJVRPEKXTWROQY-ZUZCIYMTSA-N 1 0 354.447 2.306 20 10 FECDRO COC(=O)c1c(C[NH2+]CC2([S@](C)=O)CC2)c2cc(F)ccc2n1C ZINC000894662595 689575147 /nfs/dbraw/zinc/57/51/47/689575147.db2.gz MVIFVFDIWRGZKB-DEOSSOPVSA-N 1 0 352.431 2.105 20 10 FECDRO COCC[C@@H](C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895339333 689698962 /nfs/dbraw/zinc/69/89/62/689698962.db2.gz LWJZEAILKUXFCP-QAPCUYQASA-N 1 0 350.507 2.327 20 10 FECDRO CCOc1ccc(N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)nn1 ZINC000895353080 689700603 /nfs/dbraw/zinc/70/06/03/689700603.db2.gz QALZIJWTWDMWDP-UHFFFAOYSA-N 1 0 350.369 2.181 20 10 FECDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896210902 689838256 /nfs/dbraw/zinc/83/82/56/689838256.db2.gz OYAXMVAUGGFWRB-LBPRGKRZSA-N 1 0 350.440 2.153 20 10 FECDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897635107 690053803 /nfs/dbraw/zinc/05/38/03/690053803.db2.gz XOYQJIZYPOYCQM-GFCCVEGCSA-N 1 0 352.456 2.135 20 10 FECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCc3ncc(Br)n3C1)OCO2 ZINC000898724234 690237855 /nfs/dbraw/zinc/23/78/55/690237855.db2.gz MHTRWZUOIGXIAA-SNVBAGLBSA-N 1 0 366.215 2.185 20 10 FECDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000898991261 690286462 /nfs/dbraw/zinc/28/64/62/690286462.db2.gz UJBGVYWGMSEJCS-ZDUSSCGKSA-N 1 0 364.467 2.495 20 10 FECDRO CC[C@@H](O)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101868 690304474 /nfs/dbraw/zinc/30/44/74/690304474.db2.gz MUYBNLVULUABLI-MSOLQXFVSA-N 1 0 350.507 2.206 20 10 FECDRO C[C@H]([NH2+]CCN1CCCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903230928 690872079 /nfs/dbraw/zinc/87/20/79/690872079.db2.gz ILNKEQOWHOBLRJ-INIZCTEOSA-N 1 0 351.466 2.035 20 10 FECDRO Cc1ccc(C)n1-c1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000061211610 541127456 /nfs/dbraw/zinc/12/74/56/541127456.db2.gz JTUZFTXHUSNPPZ-UHFFFAOYSA-N 1 0 354.498 2.461 20 10 FECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000066186832 541287810 /nfs/dbraw/zinc/28/78/10/541287810.db2.gz HRJBNKLRWWLJTF-OAHLLOKOSA-N 1 0 366.481 2.192 20 10 FECDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000074171055 542048528 /nfs/dbraw/zinc/04/85/28/542048528.db2.gz YTXJYOVGCTXQML-LJQANCHMSA-N 1 0 374.529 2.482 20 10 FECDRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000090102490 542782784 /nfs/dbraw/zinc/78/27/84/542782784.db2.gz CQYZRRNXJJXZMS-MRXNPFEDSA-N 1 0 354.516 2.389 20 10 FECDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011063 542837350 /nfs/dbraw/zinc/83/73/50/542837350.db2.gz XJGKEKJYLPDZAY-ICSRJNTNSA-N 1 0 370.497 2.202 20 10 FECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000111475925 543403226 /nfs/dbraw/zinc/40/32/26/543403226.db2.gz IXXBESFFGZXICA-LJQANCHMSA-N 1 0 360.502 2.197 20 10 FECDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160967039 546089307 /nfs/dbraw/zinc/08/93/07/546089307.db2.gz LOYIYRYIIBKYBA-OAHLLOKOSA-N 1 0 368.481 2.209 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cncc(F)c3)CC2)cc1 ZINC000164579155 546150994 /nfs/dbraw/zinc/15/09/94/546150994.db2.gz CVDSGWRTDRZZGF-UHFFFAOYSA-N 1 0 372.444 2.171 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3CCOC3)cc2F)CC1 ZINC000177202456 546569693 /nfs/dbraw/zinc/56/96/93/546569693.db2.gz GGJINEWZVYOBFG-MRXNPFEDSA-N 1 0 363.477 2.401 20 10 FECDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(O)c1O ZINC000182459530 547496391 /nfs/dbraw/zinc/49/63/91/547496391.db2.gz MEWCJXNUXLFJOP-YOEHRIQHSA-N 1 0 355.438 2.442 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccncn3)cc2F)CC1 ZINC000183828492 547726955 /nfs/dbraw/zinc/72/69/55/547726955.db2.gz OJERDFGWUQNCKO-GQCTYLIASA-N 1 0 369.444 2.087 20 10 FECDRO Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1O ZINC000184977397 547910231 /nfs/dbraw/zinc/91/02/31/547910231.db2.gz REIUDVCCONQGPV-IBGZPJMESA-N 1 0 354.450 2.260 20 10 FECDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000188891660 548290535 /nfs/dbraw/zinc/29/05/35/548290535.db2.gz WDMGEYJBUHZHJM-QGZVFWFLSA-N 1 0 372.513 2.049 20 10 FECDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000191847964 548351900 /nfs/dbraw/zinc/35/19/00/548351900.db2.gz KVQJVGUYZHNGGW-SFHVURJKSA-N 1 0 363.477 2.447 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237221911 548809805 /nfs/dbraw/zinc/80/98/05/548809805.db2.gz PGUJZSIHUBPROL-IHPCNDPISA-N 1 0 357.498 2.402 20 10 FECDRO C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]C1 ZINC000237613098 548838719 /nfs/dbraw/zinc/83/87/19/548838719.db2.gz CEWZIPMWYXXRID-SCLBCKFNSA-N 1 0 353.413 2.373 20 10 FECDRO O=C(CCC1CC[NH2+]CC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000238171216 548880793 /nfs/dbraw/zinc/88/07/93/548880793.db2.gz NGQLWUFRXSGJJP-UHFFFAOYSA-N 1 0 359.514 2.291 20 10 FECDRO CCCOc1ccc(C[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)c(O)c1 ZINC000263696978 549921565 /nfs/dbraw/zinc/92/15/65/549921565.db2.gz QHLBGCIECLCXIQ-UHFFFAOYSA-N 1 0 374.437 2.344 20 10 FECDRO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000265811993 550014524 /nfs/dbraw/zinc/01/45/24/550014524.db2.gz VWNXAKGTERWYIT-SJLPKXTDSA-N 1 0 370.449 2.094 20 10 FECDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000265849405 550014822 /nfs/dbraw/zinc/01/48/22/550014822.db2.gz HXGBSUNIMAXKGV-CVEARBPZSA-N 1 0 370.490 2.108 20 10 FECDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000267292864 550029342 /nfs/dbraw/zinc/02/93/42/550029342.db2.gz CRBOCTDCTZTPKH-HKUYNNGSSA-N 1 0 360.502 2.195 20 10 FECDRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000268660171 550100177 /nfs/dbraw/zinc/10/01/77/550100177.db2.gz UHDQVZGHKCNCEG-UHFFFAOYSA-N 1 0 372.513 2.097 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(N)cc3)cc2F)CC1 ZINC000269238656 550171060 /nfs/dbraw/zinc/17/10/60/550171060.db2.gz ALWPQFOLHKLEIZ-UHFFFAOYSA-N 1 0 370.472 2.409 20 10 FECDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000269865621 550231941 /nfs/dbraw/zinc/23/19/41/550231941.db2.gz KMLRCCCPMDBBMI-HNNXBMFYSA-N 1 0 360.479 2.430 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)CC[C@H]3CC[NH2+]C3)cc2F)C[C@@H](C)O1 ZINC000270309098 550261029 /nfs/dbraw/zinc/26/10/29/550261029.db2.gz DZYJOKZLFLJSJT-OAGGEKHMSA-N 1 0 363.477 2.445 20 10 FECDRO O=C(NCc1ccccc1O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000271397051 550371740 /nfs/dbraw/zinc/37/17/40/550371740.db2.gz MABXVKVDPYXUKY-UHFFFAOYSA-N 1 0 367.449 2.285 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](COC)c1ccccc1)cc2=O ZINC000271844359 550405717 /nfs/dbraw/zinc/40/57/17/550405717.db2.gz VFKMPMCSIWJJDE-INIZCTEOSA-N 1 0 370.409 2.089 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](COC)c1ccccc1)cc2=O ZINC000271844362 550405946 /nfs/dbraw/zinc/40/59/46/550405946.db2.gz VFKMPMCSIWJJDE-MRXNPFEDSA-N 1 0 370.409 2.089 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1O ZINC000272456178 550450046 /nfs/dbraw/zinc/45/00/46/550450046.db2.gz XEXJLSQPEMCPBK-GDBMZVCRSA-N 1 0 359.875 2.180 20 10 FECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000273456531 550499114 /nfs/dbraw/zinc/49/91/14/550499114.db2.gz HCENDUCCQMLMSZ-SOVGHPHASA-N 1 0 362.470 2.207 20 10 FECDRO Cc1cc(Br)cc(CN2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000274105371 550523154 /nfs/dbraw/zinc/52/31/54/550523154.db2.gz KQZWNSYUFUHHJI-CYBMUJFWSA-N 1 0 362.289 2.472 20 10 FECDRO C[C@@H](C[NH3+])NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000276991044 550619114 /nfs/dbraw/zinc/61/91/14/550619114.db2.gz GNIPTXSFRMCSKY-UVIKPUKZSA-N 1 0 369.537 2.193 20 10 FECDRO COc1c(O)c(CNc2cc(C(N)=O)ccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278619860 550804780 /nfs/dbraw/zinc/80/47/80/550804780.db2.gz FSAYOADJTNSTOL-UHFFFAOYSA-N 1 0 374.397 2.082 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NOCCSC)cc2F)CC1 ZINC000280844548 551038183 /nfs/dbraw/zinc/03/81/83/551038183.db2.gz KYZXBYGJUZBCTP-UHFFFAOYSA-N 1 0 370.494 2.061 20 10 FECDRO CN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000281210093 551074341 /nfs/dbraw/zinc/07/43/41/551074341.db2.gz NPSIPXHNEKGSIE-UHFFFAOYSA-N 1 0 360.502 2.151 20 10 FECDRO COc1ccc(N2CCN(CCNC(=O)c3cc(C4CC4)no3)CC2)cc1 ZINC000281786773 551143264 /nfs/dbraw/zinc/14/32/64/551143264.db2.gz KWWCLEUBLQCSTE-UHFFFAOYSA-N 1 0 370.453 2.113 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000282701787 551261442 /nfs/dbraw/zinc/26/14/42/551261442.db2.gz JXUVTBSOVQISTK-UHFFFAOYSA-N 1 0 368.499 2.181 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000283992215 551463632 /nfs/dbraw/zinc/46/36/32/551463632.db2.gz JPHDHOSODPNFSS-VQIMIIECSA-N 1 0 374.529 2.090 20 10 FECDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(F)ccc3O)C2=O)c(OC)c1 ZINC000289919285 552399310 /nfs/dbraw/zinc/39/93/10/552399310.db2.gz VQOLWDQOJGSMCP-QGZVFWFLSA-N 1 0 374.412 2.439 20 10 FECDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290145037 552434278 /nfs/dbraw/zinc/43/42/78/552434278.db2.gz CJAIJQCBARFABI-AWEZNQCLSA-N 1 0 358.479 2.136 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)[C@@H](C)OC)cc2F)CC1 ZINC000291038213 552578817 /nfs/dbraw/zinc/57/88/17/552578817.db2.gz ULJNZUHTEFONKX-HUUCEWRRSA-N 1 0 366.481 2.190 20 10 FECDRO Oc1ccccc1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1CCCO1 ZINC000293013108 552780541 /nfs/dbraw/zinc/78/05/41/552780541.db2.gz UPMXMQBXOURLDM-GJZGRUSLSA-N 1 0 363.376 2.313 20 10 FECDRO Cc1cc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)ccc1N(C)C ZINC000294013086 552875213 /nfs/dbraw/zinc/87/52/13/552875213.db2.gz GVZGPFJAPXNFLV-UHFFFAOYSA-N 1 0 365.543 2.451 20 10 FECDRO C[NH+](C)CCn1nccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296700627 553199961 /nfs/dbraw/zinc/19/99/61/553199961.db2.gz ABYLHRGSMHDAOL-UHFFFAOYSA-N 1 0 356.474 2.367 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000297275775 553272090 /nfs/dbraw/zinc/27/20/90/553272090.db2.gz LAWKJJSZOGAWID-AEFFLSMTSA-N 1 0 365.493 2.160 20 10 FECDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000297316210 553277547 /nfs/dbraw/zinc/27/75/47/553277547.db2.gz IPNJXDSLLCUDFY-OAQYLSRUSA-N 1 0 372.513 2.151 20 10 FECDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)n(C)n1 ZINC000364679195 555372688 /nfs/dbraw/zinc/37/26/88/555372688.db2.gz RHUBSZLDEPOBCG-IBGZPJMESA-N 1 0 369.513 2.324 20 10 FECDRO COc1ccc(N2CCC(N(C)C(=O)C[C@@H]3CSCC[NH2+]3)CC2)cc1 ZINC000366511458 555863597 /nfs/dbraw/zinc/86/35/97/555863597.db2.gz HYPBJQUYLMNLMP-OAHLLOKOSA-N 1 0 363.527 2.218 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)c1O ZINC000367076694 556001273 /nfs/dbraw/zinc/00/12/73/556001273.db2.gz BHCXNJYSLWUAFA-QGZVFWFLSA-N 1 0 362.470 2.298 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c1O ZINC000367175185 556003142 /nfs/dbraw/zinc/00/31/42/556003142.db2.gz ZIHBMDGKEUIILX-QWHCGFSZSA-N 1 0 369.259 2.406 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CCOC4)cc2F)CC1 ZINC000368136821 556227303 /nfs/dbraw/zinc/22/73/03/556227303.db2.gz YFTRNSAEDYEBJM-OXJNMPFZSA-N 1 0 361.461 2.010 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](OCC3CC3)C1)cc2=O ZINC000368792734 556414321 /nfs/dbraw/zinc/41/43/21/556414321.db2.gz QBEJLWWXGYTPQV-OAHLLOKOSA-N 1 0 374.441 2.003 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369050583 556489234 /nfs/dbraw/zinc/48/92/34/556489234.db2.gz IVVISHZWPMGLJX-MOPGFXCFSA-N 1 0 360.502 2.147 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369050585 556489289 /nfs/dbraw/zinc/48/92/89/556489289.db2.gz IVVISHZWPMGLJX-RBUKOAKNSA-N 1 0 360.502 2.147 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371300941 557137225 /nfs/dbraw/zinc/13/72/25/557137225.db2.gz RLMJMMRYYLGHBM-CGTJXYLNSA-N 1 0 350.434 2.417 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1C ZINC000371946919 557335807 /nfs/dbraw/zinc/33/58/07/557335807.db2.gz JNKNEVBXTWDEJF-SFHVURJKSA-N 1 0 354.454 2.388 20 10 FECDRO CCCOc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c(O)c1 ZINC000372006733 557354141 /nfs/dbraw/zinc/35/41/41/557354141.db2.gz NNOHSLXXYOXXKK-FQEVSTJZSA-N 1 0 364.486 2.152 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c1 ZINC000372301240 557434165 /nfs/dbraw/zinc/43/41/65/557434165.db2.gz MAWHEXBYVPFKGN-ZDUSSCGKSA-N 1 0 358.442 2.090 20 10 FECDRO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCOC[C@@H]1C1CC1 ZINC000372319384 557438763 /nfs/dbraw/zinc/43/87/63/557438763.db2.gz SMBZIYMGVVPVLV-RBUKOAKNSA-N 1 0 374.481 2.011 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)c1ccccc1O ZINC000378626189 558596704 /nfs/dbraw/zinc/59/67/04/558596704.db2.gz RRZFVQOVEQVOHZ-LSDHHAIUSA-N 1 0 352.442 2.397 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c(Cl)c1 ZINC000527753669 562302608 /nfs/dbraw/zinc/30/26/08/562302608.db2.gz LWDNCWUEMORDHL-SFHVURJKSA-N 1 0 354.878 2.059 20 10 FECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000808766308 674471576 /nfs/dbraw/zinc/47/15/76/674471576.db2.gz PTSLRCDONJELND-INIZCTEOSA-N 1 0 351.516 2.046 20 10 FECDRO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1O ZINC000090025989 670709688 /nfs/dbraw/zinc/70/96/88/670709688.db2.gz BHSWYUXZUBDHBX-RYUDHWBXSA-N 1 0 355.232 2.343 20 10 FECDRO COc1cccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)c1O ZINC000092614547 670742647 /nfs/dbraw/zinc/74/26/47/670742647.db2.gz ABVSLYOYEZDMRW-UHFFFAOYSA-N 1 0 352.385 2.310 20 10 FECDRO C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000817971852 675188308 /nfs/dbraw/zinc/18/83/08/675188308.db2.gz HWUFWONSRBLKAO-NOZJJQNGSA-N 1 0 353.335 2.157 20 10 FECDRO O=C(NCCCSc1nccs1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817940416 675187510 /nfs/dbraw/zinc/18/75/10/675187510.db2.gz GSTWTSLMZNBMTI-ZDUSSCGKSA-N 1 0 351.501 2.176 20 10 FECDRO CS(=O)(=O)NC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000123449434 671979994 /nfs/dbraw/zinc/97/99/94/671979994.db2.gz BARQFZXCLAGALD-UHFFFAOYSA-N 1 0 351.516 2.191 20 10 FECDRO C[C@H](C(=O)Nc1nccs1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000127216993 672033825 /nfs/dbraw/zinc/03/38/25/672033825.db2.gz VOGPAKUGAOLYNP-CQSZACIVSA-N 1 0 360.483 2.439 20 10 FECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCCC1 ZINC000134266744 672121587 /nfs/dbraw/zinc/12/15/87/672121587.db2.gz MQIRTPFSJZPSQM-OAHLLOKOSA-N 1 0 352.862 2.431 20 10 FECDRO [NH3+]CCc1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)cs1 ZINC000194829525 672769059 /nfs/dbraw/zinc/76/90/59/672769059.db2.gz DYEIVBGMSAXZGO-UHFFFAOYSA-N 1 0 362.524 2.128 20 10 FECDRO COc1cc(C[NH2+]Cc2ccccc2O)cc(Cl)c1OCC(N)=O ZINC000325973037 673051471 /nfs/dbraw/zinc/05/14/71/673051471.db2.gz WGBYMOFCRYXBMZ-UHFFFAOYSA-N 1 0 350.802 2.208 20 10 FECDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(OCC)cc2O)CC1 ZINC000731449215 673330782 /nfs/dbraw/zinc/33/07/82/673330782.db2.gz NPWOCQDAGWYVKV-UHFFFAOYSA-N 1 0 356.488 2.085 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)C2)cc1 ZINC000818343014 675215588 /nfs/dbraw/zinc/21/55/88/675215588.db2.gz XXDXGTKJZPBQMA-LZQZEXGQSA-N 1 0 366.527 2.467 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)COC2CCOCC2)cc1F ZINC000819042391 675254937 /nfs/dbraw/zinc/25/49/37/675254937.db2.gz MGNSPBPJPAVGEU-INIZCTEOSA-N 1 0 354.466 2.318 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H]2CCCN(CCCO)C2)c1O ZINC000824584023 675612153 /nfs/dbraw/zinc/61/21/53/675612153.db2.gz VEZFSAVQFYKZQE-AWEZNQCLSA-N 1 0 373.291 2.100 20 10 FECDRO C[NH+](C)C1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000825430449 675652681 /nfs/dbraw/zinc/65/26/81/675652681.db2.gz YFQJUKODVWDSAK-UHFFFAOYSA-N 1 0 353.413 2.467 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Cl ZINC000825886461 675672696 /nfs/dbraw/zinc/67/26/96/675672696.db2.gz PFBRHHLVZMJVCD-YVEFUNNKSA-N 1 0 351.834 2.307 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@](CO)(OC)C2)c1O ZINC000826952056 675718093 /nfs/dbraw/zinc/71/80/93/675718093.db2.gz FRFTYQPQLXKMKR-HNNXBMFYSA-N 1 0 360.248 2.137 20 10 FECDRO C[NH+](C)C1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000829026442 675860136 /nfs/dbraw/zinc/86/01/36/675860136.db2.gz KLAKJFGKDLQDKS-CYBMUJFWSA-N 1 0 353.413 2.467 20 10 FECDRO COC1(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCOCC1 ZINC000839143771 680741497 /nfs/dbraw/zinc/74/14/97/680741497.db2.gz BYWDYZLHXMTCJU-UHFFFAOYSA-N 1 0 356.413 2.087 20 10 FECDRO CCOc1ccc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c(O)c1 ZINC000839176607 680742982 /nfs/dbraw/zinc/74/29/82/680742982.db2.gz LRMALFXMJLBTFD-QGZVFWFLSA-N 1 0 351.443 2.296 20 10 FECDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000762788165 680761544 /nfs/dbraw/zinc/76/15/44/680761544.db2.gz VMMYHRGDLFXBLI-UHFFFAOYSA-N 1 0 369.487 2.498 20 10 FECDRO C[N@H+](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000764197677 680802626 /nfs/dbraw/zinc/80/26/26/680802626.db2.gz QJOYPVRGSIROAS-IRXDYDNUSA-N 1 0 364.511 2.337 20 10 FECDRO COc1ccc(N2CCC([NH2+]CCC(C)(C)S(C)(=O)=O)CC2)cc1 ZINC000840876136 680848743 /nfs/dbraw/zinc/84/87/43/680848743.db2.gz LKGSBNXBGWFTKS-UHFFFAOYSA-N 1 0 354.516 2.467 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000840909685 680852141 /nfs/dbraw/zinc/85/21/41/680852141.db2.gz GNJVSLBJZANTKC-KRWDZBQOSA-N 1 0 353.532 2.355 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000840948106 680855873 /nfs/dbraw/zinc/85/58/73/680855873.db2.gz MXNDRVXXKGGLKK-WMZOPIPTSA-N 1 0 353.532 2.259 20 10 FECDRO COC[C@@](C)(CCO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000749923284 680087085 /nfs/dbraw/zinc/08/70/85/680087085.db2.gz TXWMDCLHXUUMMF-GOSISDBHSA-N 1 0 351.447 2.462 20 10 FECDRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000834910793 680281707 /nfs/dbraw/zinc/28/17/07/680281707.db2.gz ZOUIMSCQSMELOA-FZKQIMNGSA-N 1 0 351.878 2.496 20 10 FECDRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000760045695 680675185 /nfs/dbraw/zinc/67/51/85/680675185.db2.gz ILHCYCBRPRYRAM-CYBMUJFWSA-N 1 0 351.472 2.028 20 10 FECDRO C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841705903 680908143 /nfs/dbraw/zinc/90/81/43/680908143.db2.gz AKSYGADYULZYSU-NVXWUHKLSA-N 1 0 362.543 2.427 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000841707169 680908335 /nfs/dbraw/zinc/90/83/35/680908335.db2.gz OWUPHCVTRCMGBL-AEFFLSMTSA-N 1 0 360.527 2.133 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000841765426 680910931 /nfs/dbraw/zinc/91/09/31/680910931.db2.gz YBPQISLOMXNDNM-GDBMZVCRSA-N 1 0 353.894 2.103 20 10 FECDRO [NH3+]C/C=C\CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843383 680914328 /nfs/dbraw/zinc/91/43/28/680914328.db2.gz GIUHBCJBUDJIHS-FYDYADQUSA-N 1 0 354.401 2.071 20 10 FECDRO [NH3+]C/C=C/CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843382 680914340 /nfs/dbraw/zinc/91/43/40/680914340.db2.gz GIUHBCJBUDJIHS-AORQRIRUSA-N 1 0 354.401 2.071 20 10 FECDRO CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843619 680914477 /nfs/dbraw/zinc/91/44/77/680914477.db2.gz KSYXTVFAFCQRRF-CHWSQXEVSA-N 1 0 356.417 2.293 20 10 FECDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1cccc(Br)c1O ZINC000842008498 680921692 /nfs/dbraw/zinc/92/16/92/680921692.db2.gz ZLFPZUBXBSBQKF-LBPRGKRZSA-N 1 0 356.264 2.486 20 10 FECDRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768439734 680947052 /nfs/dbraw/zinc/94/70/52/680947052.db2.gz MZERVGBSWXYFAG-AWEZNQCLSA-N 1 0 352.500 2.032 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1O ZINC000842759512 680964598 /nfs/dbraw/zinc/96/45/98/680964598.db2.gz XIGZQIQYBZKPEA-INIZCTEOSA-N 1 0 374.275 2.431 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C[C@@H]2CCCC2(F)F)cc1 ZINC000842785015 680966303 /nfs/dbraw/zinc/96/63/03/680966303.db2.gz KKJIFZKUYGTBES-DZGCQCFKSA-N 1 0 361.458 2.107 20 10 FECDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000843488253 681006590 /nfs/dbraw/zinc/00/65/90/681006590.db2.gz VIALWRMKYWHAMQ-JKSUJKDBSA-N 1 0 355.429 2.243 20 10 FECDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846037432 681176207 /nfs/dbraw/zinc/17/62/07/681176207.db2.gz OUTRVXJTUNZBNE-QGZVFWFLSA-N 1 0 353.532 2.437 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2nscc2Br)cc1 ZINC000846663781 681273673 /nfs/dbraw/zinc/27/36/73/681273673.db2.gz OGWTZXBJYWBDEZ-GFCCVEGCSA-N 1 0 369.288 2.401 20 10 FECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(OC)c2O)[C@@H]1OC ZINC000775978419 681354285 /nfs/dbraw/zinc/35/42/85/681354285.db2.gz LJIIEADLGKFJES-LNSITVRQSA-N 1 0 360.248 2.445 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1O ZINC000934263224 681537968 /nfs/dbraw/zinc/53/79/68/681537968.db2.gz NLPNIFNBJPDYFA-IRXDYDNUSA-N 1 0 352.862 2.279 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)C2CC2)c1O ZINC000848513927 681569201 /nfs/dbraw/zinc/56/92/01/681569201.db2.gz IWQZWFPYRFEOLA-SECBINFHSA-N 1 0 357.248 2.340 20 10 FECDRO COCCN(C)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848524334 681571432 /nfs/dbraw/zinc/57/14/32/681571432.db2.gz DLKXVGJARMTUOL-LLVKDONJSA-N 1 0 361.280 2.392 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1O ZINC000848528726 681571898 /nfs/dbraw/zinc/57/18/98/681571898.db2.gz NSTRKAOBKKRUFR-ONGXEEELSA-N 1 0 357.248 2.435 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)c1O ZINC000848531259 681572765 /nfs/dbraw/zinc/57/27/65/681572765.db2.gz MWSRFCOYSYBMBV-SKDRFNHKSA-N 1 0 357.248 2.435 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC(O)CC2)c1O ZINC000848553538 681577001 /nfs/dbraw/zinc/57/70/01/681577001.db2.gz UWDHVBOWHRGGFY-NSHDSACASA-N 1 0 373.291 2.271 20 10 FECDRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850031057 681843464 /nfs/dbraw/zinc/84/34/64/681843464.db2.gz PJIDUCNDCONFDU-UHFFFAOYSA-N 1 0 372.531 2.460 20 10 FECDRO O=[S@@](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000850348998 681888902 /nfs/dbraw/zinc/88/89/02/681888902.db2.gz XJAJDYKJUFCEMP-DEOSSOPVSA-N 1 0 368.396 2.063 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CCc2ccccc2F)cc1 ZINC000850586205 681919282 /nfs/dbraw/zinc/91/92/82/681919282.db2.gz NRSXLEOHPJGAHR-SFHVURJKSA-N 1 0 365.474 2.054 20 10 FECDRO COCCN1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000784547113 682236696 /nfs/dbraw/zinc/23/66/96/682236696.db2.gz ZUUDRENVEOEFLU-QZTJIDSGSA-N 1 0 367.921 2.320 20 10 FECDRO COCCN1CC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000784547120 682236806 /nfs/dbraw/zinc/23/68/06/682236806.db2.gz ZUUDRENVEOEFLU-ZWKOTPCHSA-N 1 0 367.921 2.320 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C(F)(F)F)CCOCC2)cc1 ZINC000852791607 682343718 /nfs/dbraw/zinc/34/37/18/682343718.db2.gz KMLRBPWYYBHUPX-AWEZNQCLSA-N 1 0 359.392 2.228 20 10 FECDRO C[C@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)[NH+](C)C ZINC000853435810 682412969 /nfs/dbraw/zinc/41/29/69/682412969.db2.gz OJUPWTLJQWGUBI-OAHLLOKOSA-N 1 0 350.532 2.379 20 10 FECDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000792931554 682849837 /nfs/dbraw/zinc/84/98/37/682849837.db2.gz WAFGUJFACNJDRK-UHFFFAOYSA-N 1 0 352.450 2.466 20 10 FECDRO CC(C)(CC[NH2+]Cc1c(O)cccc1Br)S(C)(=O)=O ZINC000858177659 682940952 /nfs/dbraw/zinc/94/09/52/682940952.db2.gz FRHQQBKSPWHPSG-UHFFFAOYSA-N 1 0 350.278 2.458 20 10 FECDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858318855 682956648 /nfs/dbraw/zinc/95/66/48/682956648.db2.gz UKSZTTGAJHZMPV-ZDUSSCGKSA-N 1 0 350.419 2.083 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)c2ccnn2C)c1O ZINC000858435615 682968247 /nfs/dbraw/zinc/96/82/47/682968247.db2.gz MWFZQQWKTHEWAV-JOYOIKCWSA-N 1 0 370.247 2.281 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(Br)cc1O ZINC000927147522 683212171 /nfs/dbraw/zinc/21/21/71/683212171.db2.gz SNTOYHBLKLIDJR-GXSJLCMTSA-N 1 0 351.248 2.491 20 10 FECDRO Oc1cccc(Br)c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000862213972 683550733 /nfs/dbraw/zinc/55/07/33/683550733.db2.gz ZVGJXSSYISMSQA-CYBMUJFWSA-N 1 0 355.276 2.451 20 10 FECDRO Oc1cccc(Br)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000862250995 683559264 /nfs/dbraw/zinc/55/92/64/683559264.db2.gz XUPRSAZVVPBEFO-CYBMUJFWSA-N 1 0 355.276 2.309 20 10 FECDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862550682 683600364 /nfs/dbraw/zinc/60/03/64/683600364.db2.gz GTCOFBPNEUHEOA-GOSISDBHSA-N 1 0 365.543 2.438 20 10 FECDRO O=S1(=O)C[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)Oc2ccccc21 ZINC000922207911 683679735 /nfs/dbraw/zinc/67/97/35/683679735.db2.gz LGGBQLCBABNXFM-INIZCTEOSA-N 1 0 359.447 2.336 20 10 FECDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000922589065 683749542 /nfs/dbraw/zinc/74/95/42/683749542.db2.gz GPPWBLSIZAOWBW-AWEZNQCLSA-N 1 0 373.291 2.364 20 10 FECDRO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(Br)cc1O ZINC000866521065 684115034 /nfs/dbraw/zinc/11/50/34/684115034.db2.gz KQVMLQSPOXOTEL-BMIGLBTASA-N 1 0 371.231 2.027 20 10 FECDRO O=C1CC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCN1 ZINC000873049331 685059274 /nfs/dbraw/zinc/05/92/74/685059274.db2.gz GBQQRFVQNFLEGX-HOTGVXAUSA-N 1 0 351.878 2.268 20 10 FECDRO COc1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc1Cn1cccn1 ZINC000873132048 685078460 /nfs/dbraw/zinc/07/84/60/685078460.db2.gz DYPTZJZSAYSIDX-UHFFFAOYSA-N 1 0 365.499 2.243 20 10 FECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000876945824 686299073 /nfs/dbraw/zinc/29/90/73/686299073.db2.gz JUASARSBAWGXFQ-IBGZPJMESA-N 1 0 352.450 2.194 20 10 FECDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC3CCCC3)cc2)CC1 ZINC000882663203 687431614 /nfs/dbraw/zinc/43/16/14/687431614.db2.gz RWPBHCOKEOXPGN-UHFFFAOYSA-N 1 0 351.516 2.048 20 10 FECDRO C[C@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])N1CC[NH+](C)CC1 ZINC000882984411 687540612 /nfs/dbraw/zinc/54/06/12/687540612.db2.gz HEXNTRXHECDHRJ-LLVKDONJSA-N 1 0 360.271 2.019 20 10 FECDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000884194681 687814544 /nfs/dbraw/zinc/81/45/44/687814544.db2.gz PPBASBACRBILJZ-KRWDZBQOSA-N 1 0 351.466 2.288 20 10 FECDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890761403 688963075 /nfs/dbraw/zinc/96/30/75/688963075.db2.gz QMFWOYONBXTQHE-CABCVRRESA-N 1 0 362.861 2.131 20 10 FECDRO CO[C@@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC000891245397 689039656 /nfs/dbraw/zinc/03/96/56/689039656.db2.gz DGSAWONNORTCFK-GJZGRUSLSA-N 1 0 361.408 2.439 20 10 FECDRO COc1ccc(C[NH2+]CC2(N3CCCC3)CCOCC2)c(O)c1OC ZINC000892927705 689266480 /nfs/dbraw/zinc/26/64/80/689266480.db2.gz CVCXYHFWGRHRGT-UHFFFAOYSA-N 1 0 350.459 2.144 20 10 FECDRO COc1ccc(C[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000894185512 689482718 /nfs/dbraw/zinc/48/27/18/689482718.db2.gz PMSWSKCHCVXHLD-CQSZACIVSA-N 1 0 352.431 2.126 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1OC ZINC000895535948 689731625 /nfs/dbraw/zinc/73/16/25/689731625.db2.gz FXVCEAIZOFCRAB-OAHLLOKOSA-N 1 0 351.443 2.475 20 10 FECDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896612516 689906302 /nfs/dbraw/zinc/90/63/02/689906302.db2.gz HRBDNSIUFMTEPI-CYBMUJFWSA-N 1 0 364.467 2.495 20 10 FECDRO O=C1N[C@@H](C2CC[NH+](Cc3c(O)cccc3Br)CC2)CO1 ZINC000897018611 689964060 /nfs/dbraw/zinc/96/40/60/689964060.db2.gz GRNJZSYXHKQQFJ-CYBMUJFWSA-N 1 0 355.232 2.475 20 10 FECDRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000897978121 690109017 /nfs/dbraw/zinc/10/90/17/690109017.db2.gz MHSSUHOMFIZZHO-CQSZACIVSA-N 1 0 374.238 2.432 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000898367650 690167804 /nfs/dbraw/zinc/16/78/04/690167804.db2.gz GFCPHESRGNKSNU-WDEREUQCSA-N 1 0 364.833 2.479 20 10 FECDRO CC[NH+](CC)CCOCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907351646 691459378 /nfs/dbraw/zinc/45/93/78/691459378.db2.gz HJVCPVDBBSZGJQ-UHFFFAOYSA-N 1 0 352.456 2.401 20 10 FECDRO CCOCc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1OC ZINC000800310194 674040793 /nfs/dbraw/zinc/04/07/93/674040793.db2.gz YAKWTDWCXJKKLU-WBVHZDCISA-N 1 0 370.515 2.039 20 10 FECDRO O=C(Nc1nccs1)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000057088926 540767990 /nfs/dbraw/zinc/76/79/90/540767990.db2.gz AZIGIWOURYZGBY-NSHDSACASA-N 1 0 361.423 2.428 20 10 FECDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090183683 542783918 /nfs/dbraw/zinc/78/39/18/542783918.db2.gz VFHZSVFMHUISQC-AWEZNQCLSA-N 1 0 370.490 2.138 20 10 FECDRO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@H](O)CN1CCOCC1 ZINC000093583341 542934641 /nfs/dbraw/zinc/93/46/41/542934641.db2.gz PZDOBAUZRJCJOB-FQEVSTJZSA-N 1 0 356.466 2.184 20 10 FECDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000104855486 543147555 /nfs/dbraw/zinc/14/75/55/543147555.db2.gz MDCXTDRENOMADX-IBGZPJMESA-N 1 0 363.477 2.277 20 10 FECDRO CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1O ZINC000156868901 545671820 /nfs/dbraw/zinc/67/18/20/545671820.db2.gz YALGBCXPUSSTNJ-GXTWGEPZSA-N 1 0 355.481 2.329 20 10 FECDRO CN(CC[NH2+]Cc1ccc2c(c1)CCO2)S(=O)(=O)c1cccs1 ZINC000158308639 545846057 /nfs/dbraw/zinc/84/60/57/545846057.db2.gz NKVCZJDPMJJVPX-UHFFFAOYSA-N 1 0 352.481 2.093 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1OC ZINC000160100780 546007794 /nfs/dbraw/zinc/00/77/94/546007794.db2.gz HMPMRWFCMOQNPF-AWEZNQCLSA-N 1 0 350.459 2.394 20 10 FECDRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163404770 546144989 /nfs/dbraw/zinc/14/49/89/546144989.db2.gz XCFINORQTYNWII-ZDUSSCGKSA-N 1 0 373.419 2.498 20 10 FECDRO Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c(O)c1O ZINC000182516648 547506614 /nfs/dbraw/zinc/50/66/14/547506614.db2.gz DHLLZXKRLWPEFC-UHFFFAOYSA-N 1 0 361.486 2.086 20 10 FECDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183221762 547623025 /nfs/dbraw/zinc/62/30/25/547623025.db2.gz GWVCOPRFKHHJIO-AWEZNQCLSA-N 1 0 351.466 2.475 20 10 FECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000183467047 547665841 /nfs/dbraw/zinc/66/58/41/547665841.db2.gz NGTJZDHPOYLFGI-AWEZNQCLSA-N 1 0 358.438 2.399 20 10 FECDRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(Br)cc1O ZINC000185002994 547915692 /nfs/dbraw/zinc/91/56/92/547915692.db2.gz BCRWYYBRFIWHSA-SNVBAGLBSA-N 1 0 357.248 2.087 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000186141234 548090547 /nfs/dbraw/zinc/09/05/47/548090547.db2.gz OOUAZVYJXAUVIH-LBPRGKRZSA-N 1 0 370.496 2.434 20 10 FECDRO CC[N@H+](CC(N)=O)Cc1cc(Br)cc(Br)c1[O-] ZINC000188068429 548270393 /nfs/dbraw/zinc/27/03/93/548270393.db2.gz NPFFKDHCVYGYJU-UHFFFAOYSA-N 1 0 366.053 2.224 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCSC3)cc2F)CC1 ZINC000266472221 550021166 /nfs/dbraw/zinc/02/11/66/550021166.db2.gz AVPIXFKMHPPIII-HNNXBMFYSA-N 1 0 366.506 2.272 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000267467563 550032102 /nfs/dbraw/zinc/03/21/02/550032102.db2.gz WUAQWXKCCOGWKP-QGZVFWFLSA-N 1 0 355.486 2.314 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000268845608 550122967 /nfs/dbraw/zinc/12/29/67/550122967.db2.gz RQTCKMOBXAOVNG-MRXNPFEDSA-N 1 0 357.502 2.210 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2F)C[C@@H](C)O1 ZINC000268850033 550123336 /nfs/dbraw/zinc/12/33/36/550123336.db2.gz KADUCXKIWAZNGK-ZIAGYGMSSA-N 1 0 364.465 2.072 20 10 FECDRO COc1cc([N+](=O)[O-])c(N2CCC(C[NH+]3CCOCC3)CC2)cc1OC ZINC000270998816 550330340 /nfs/dbraw/zinc/33/03/40/550330340.db2.gz FXFZZRIFSCQGCK-UHFFFAOYSA-N 1 0 365.430 2.161 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c(O)c1 ZINC000271181684 550349781 /nfs/dbraw/zinc/34/97/81/550349781.db2.gz HTUUYHCBRUGCDZ-ZDUSSCGKSA-N 1 0 358.442 2.383 20 10 FECDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282508 550434147 /nfs/dbraw/zinc/43/41/47/550434147.db2.gz BVIPNULNLYHMSI-QUCCMNQESA-N 1 0 372.513 2.149 20 10 FECDRO CC(=O)NCCN(Cc1cccc(C)c1O)[C@H](C)C(=O)OC(C)(C)C ZINC000272870362 550474630 /nfs/dbraw/zinc/47/46/30/550474630.db2.gz LWWGAMTZOWKOHT-CQSZACIVSA-N 1 0 350.459 2.369 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273398509 550496938 /nfs/dbraw/zinc/49/69/38/550496938.db2.gz MQMHRGVANDITKC-CQSZACIVSA-N 1 0 371.441 2.298 20 10 FECDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273420067 550497826 /nfs/dbraw/zinc/49/78/26/550497826.db2.gz RWQSZKOMMVAGKQ-GFCCVEGCSA-N 1 0 350.415 2.450 20 10 FECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000273417888 550497951 /nfs/dbraw/zinc/49/79/51/550497951.db2.gz REIFOMDQNDTQEV-CRAIPNDOSA-N 1 0 363.502 2.101 20 10 FECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000273456528 550499168 /nfs/dbraw/zinc/49/91/68/550499168.db2.gz HCENDUCCQMLMSZ-IXDGSTSKSA-N 1 0 362.470 2.207 20 10 FECDRO CC[NH+]1CCC(NC(=O)NCc2cccc(Br)c2O)CC1 ZINC000277481262 550675908 /nfs/dbraw/zinc/67/59/08/550675908.db2.gz PRMBUZFMHJIGQK-UHFFFAOYSA-N 1 0 356.264 2.438 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279008764 550846095 /nfs/dbraw/zinc/84/60/95/550846095.db2.gz LJUVWSROCRTEFQ-FQEVSTJZSA-N 1 0 357.498 2.138 20 10 FECDRO COc1cccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1O ZINC000279876659 550938581 /nfs/dbraw/zinc/93/85/81/550938581.db2.gz JVLORYPYMJBVPM-RDJZCZTQSA-N 1 0 362.449 2.179 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000282223277 551197699 /nfs/dbraw/zinc/19/76/99/551197699.db2.gz AXRQPCHDUSHLIY-OAHLLOKOSA-N 1 0 371.275 2.257 20 10 FECDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283361118 551353759 /nfs/dbraw/zinc/35/37/59/551353759.db2.gz FFHQGSJVRZXXPN-QGZVFWFLSA-N 1 0 374.529 2.140 20 10 FECDRO CCCOc1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)c(O)c1 ZINC000284491208 551561227 /nfs/dbraw/zinc/56/12/27/551561227.db2.gz GHRIHBXUSQFYBP-ROUUACIJSA-N 1 0 362.470 2.393 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCC[C@@H]1SCC)cc2=O ZINC000285591610 551779840 /nfs/dbraw/zinc/77/98/40/551779840.db2.gz BLTOONKXAJASHX-KGLIPLIRSA-N 1 0 364.471 2.375 20 10 FECDRO CCCOc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c(O)c1 ZINC000285592968 551780172 /nfs/dbraw/zinc/78/01/72/551780172.db2.gz WBSIFVYZQIEWPJ-OAHLLOKOSA-N 1 0 368.499 2.227 20 10 FECDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000286078439 551846064 /nfs/dbraw/zinc/84/60/64/551846064.db2.gz JYYPKVXIKGREIV-WMZOPIPTSA-N 1 0 363.477 2.447 20 10 FECDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286356807 551878241 /nfs/dbraw/zinc/87/82/41/551878241.db2.gz HFWPVDRNKRUJLD-IBGZPJMESA-N 1 0 374.529 2.092 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]CCS(=O)(=O)C(C)C)c1O ZINC000290276518 552452710 /nfs/dbraw/zinc/45/27/10/552452710.db2.gz YOPHXCUYDWSCJT-UHFFFAOYSA-N 1 0 350.278 2.376 20 10 FECDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCS1(=O)=O ZINC000293806583 552858014 /nfs/dbraw/zinc/85/80/14/552858014.db2.gz DSBVGDLRISHKGR-HZMBPMFUSA-N 1 0 350.406 2.437 20 10 FECDRO COC1CCN(c2ccc(C[NH+]3CCN(c4cnccn4)CC3)cc2)CC1 ZINC000295572061 553027422 /nfs/dbraw/zinc/02/74/22/553027422.db2.gz RHDFSVOQFRZGDB-UHFFFAOYSA-N 1 0 367.497 2.414 20 10 FECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000296595917 553184813 /nfs/dbraw/zinc/18/48/13/553184813.db2.gz QWVWZEDRTPBZHR-HNNXBMFYSA-N 1 0 352.431 2.126 20 10 FECDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000299732879 553609272 /nfs/dbraw/zinc/60/92/72/553609272.db2.gz YARYDIYCQQAOTC-HXUWFJFHSA-N 1 0 371.481 2.091 20 10 FECDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2N1 ZINC000301792521 553679696 /nfs/dbraw/zinc/67/96/96/553679696.db2.gz RGSJBMXEOBVJER-SWLSCSKDSA-N 1 0 372.425 2.379 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCOCC2)cc1 ZINC000363836978 555196534 /nfs/dbraw/zinc/19/65/34/555196534.db2.gz ZEXUOLHBOQLXTD-OXJNMPFZSA-N 1 0 370.497 2.440 20 10 FECDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)nn1 ZINC000363910284 555211704 /nfs/dbraw/zinc/21/17/04/555211704.db2.gz UYINFAILUHSLNQ-CYBMUJFWSA-N 1 0 350.806 2.179 20 10 FECDRO Cc1nc(CN(C)[C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000364675692 555371154 /nfs/dbraw/zinc/37/11/54/555371154.db2.gz TXVDAJUIMLNOAJ-HNNXBMFYSA-N 1 0 374.441 2.299 20 10 FECDRO O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000366325255 555812370 /nfs/dbraw/zinc/81/23/70/555812370.db2.gz OZUJCCAWTRGWND-STQMWFEESA-N 1 0 357.376 2.137 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1OC ZINC000368268707 556264329 /nfs/dbraw/zinc/26/43/29/556264329.db2.gz ZWBPWWGAOZLOFI-AWEZNQCLSA-N 1 0 351.443 2.427 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000370010637 556756828 /nfs/dbraw/zinc/75/68/28/556756828.db2.gz PMJDILIRMFNOGK-GOSISDBHSA-N 1 0 369.513 2.009 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1O ZINC000370355187 556849262 /nfs/dbraw/zinc/84/92/62/556849262.db2.gz LLOAGWAXABKMCE-IRXDYDNUSA-N 1 0 350.434 2.155 20 10 FECDRO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2cc(F)ccc2O)CC(=O)N1C ZINC000370407497 556864084 /nfs/dbraw/zinc/86/40/84/556864084.db2.gz QJBKFZPGFYHJBT-IFXJQAMLSA-N 1 0 360.433 2.191 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)CC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000371326141 557147222 /nfs/dbraw/zinc/14/72/22/557147222.db2.gz LETZCLQTTNFHFB-UHFFFAOYSA-N 1 0 366.527 2.421 20 10 FECDRO O=C1CCCC(=O)N1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000372379645 557454911 /nfs/dbraw/zinc/45/49/11/557454911.db2.gz HKCKWNYVYRALQG-UHFFFAOYSA-N 1 0 371.481 2.027 20 10 FECDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000372778074 557560845 /nfs/dbraw/zinc/56/08/45/557560845.db2.gz ZLIFVUGMFKJKHB-LAMSDQTKSA-N 1 0 355.482 2.266 20 10 FECDRO O=C(C[N@@H+]1CCCC12CCC2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000373095375 557627662 /nfs/dbraw/zinc/62/76/62/557627662.db2.gz QKLZUURFUGHZKX-UHFFFAOYSA-N 1 0 361.461 2.297 20 10 FECDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000374022391 557809592 /nfs/dbraw/zinc/80/95/92/557809592.db2.gz QQCPMTBMECLHCR-OAQYLSRUSA-N 1 0 365.477 2.414 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1F ZINC000375534144 558044510 /nfs/dbraw/zinc/04/45/10/558044510.db2.gz SFIALKSIDSOCJC-SJORKVTESA-N 1 0 373.476 2.106 20 10 FECDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000377498880 558352262 /nfs/dbraw/zinc/35/22/62/558352262.db2.gz ZLNICGKGCHTIME-FQEVSTJZSA-N 1 0 352.482 2.214 20 10 FECDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCOCC2)c1O ZINC000377691202 558398376 /nfs/dbraw/zinc/39/83/76/558398376.db2.gz FCFVCFQREJLQET-MRXNPFEDSA-N 1 0 364.442 2.224 20 10 FECDRO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000377691659 558398507 /nfs/dbraw/zinc/39/85/07/558398507.db2.gz HVHNANUYEMGOCY-HOTGVXAUSA-N 1 0 352.406 2.401 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC ZINC000378450627 558560523 /nfs/dbraw/zinc/56/05/23/558560523.db2.gz IRPSIYXKHNWZLE-INIZCTEOSA-N 1 0 356.422 2.300 20 10 FECDRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)CC1 ZINC000378563885 558583968 /nfs/dbraw/zinc/58/39/68/558583968.db2.gz YJUFGJDVMWGAEL-UHFFFAOYSA-N 1 0 361.486 2.038 20 10 FECDRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000392969000 558619806 /nfs/dbraw/zinc/61/98/06/558619806.db2.gz TXIJKBPLVOEJBJ-NSHDSACASA-N 1 0 360.464 2.018 20 10 FECDRO CCNS(=O)(=O)CC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810226348 674537598 /nfs/dbraw/zinc/53/75/98/674537598.db2.gz XIHPHTWGUZDOPJ-LBPRGKRZSA-N 1 0 354.394 2.391 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2OC)c1 ZINC000826210259 608500326 /nfs/dbraw/zinc/50/03/26/608500326.db2.gz KNEVQZNBKGGVOT-LLVKDONJSA-N 1 0 355.398 2.440 20 10 FECDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000817155386 675106745 /nfs/dbraw/zinc/10/67/45/675106745.db2.gz XNLIWHXLURGAMD-GOSISDBHSA-N 1 0 362.543 2.475 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCSC(C)(C)C3)CC2)cc1 ZINC000083415455 670657596 /nfs/dbraw/zinc/65/75/96/670657596.db2.gz WYGWBVVRJWMVFD-UHFFFAOYSA-N 1 0 363.527 2.171 20 10 FECDRO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000116869267 670908628 /nfs/dbraw/zinc/90/86/28/670908628.db2.gz BRFLNIQCQAAHLD-LBPRGKRZSA-N 1 0 364.467 2.141 20 10 FECDRO CN(CC[NH3+])C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000818010869 675190669 /nfs/dbraw/zinc/19/06/69/675190669.db2.gz YEGJYWSFTBISJC-BENRWUELSA-N 1 0 369.537 2.147 20 10 FECDRO CN1CCN(C(=O)CC2CC[NH+](Cc3c(O)cccc3Cl)CC2)CC1 ZINC000120001530 671914455 /nfs/dbraw/zinc/91/44/55/671914455.db2.gz BORSXQKYLVQBCM-UHFFFAOYSA-N 1 0 365.905 2.422 20 10 FECDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000134065672 672119042 /nfs/dbraw/zinc/11/90/42/672119042.db2.gz NGHUKCUSPGVLET-GUYCJALGSA-N 1 0 351.878 2.496 20 10 FECDRO COC(=O)C[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267417 672121574 /nfs/dbraw/zinc/12/15/74/672121574.db2.gz FERGQRHNZXLYAT-IUODEOHRSA-N 1 0 368.861 2.325 20 10 FECDRO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000154054596 672209922 /nfs/dbraw/zinc/20/99/22/672209922.db2.gz ZOGRMNHQIKMFQE-QGZVFWFLSA-N 1 0 351.516 2.191 20 10 FECDRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000157083062 672254450 /nfs/dbraw/zinc/25/44/50/672254450.db2.gz IHSWLEFBCFGFEF-SNVBAGLBSA-N 1 0 372.263 2.211 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCS[C@@H](C)CC3)CC2)cc1 ZINC000192179165 672684335 /nfs/dbraw/zinc/68/43/35/672684335.db2.gz ACAIRQJIFMTYDR-INIZCTEOSA-N 1 0 363.527 2.171 20 10 FECDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000192843861 672703780 /nfs/dbraw/zinc/70/37/80/672703780.db2.gz YCFACRVWSAEBCG-ZDUSSCGKSA-N 1 0 356.488 2.256 20 10 FECDRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C3=CC(=O)CS3)c2)CC1 ZINC000731871582 673345848 /nfs/dbraw/zinc/34/58/48/673345848.db2.gz JEOLVNJXRZSBQZ-UHFFFAOYSA-N 1 0 359.451 2.403 20 10 FECDRO COc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000733330564 673409982 /nfs/dbraw/zinc/40/99/82/673409982.db2.gz BTIMCUWZMCZVBT-UHFFFAOYSA-N 1 0 360.479 2.220 20 10 FECDRO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000735073298 673480729 /nfs/dbraw/zinc/48/07/29/673480729.db2.gz MJQGXBHECDEKCD-CYBMUJFWSA-N 1 0 360.435 2.415 20 10 FECDRO COc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000824832339 675624554 /nfs/dbraw/zinc/62/45/54/675624554.db2.gz XTQWDZMLISSEME-YPMHNXCESA-N 1 0 358.360 2.243 20 10 FECDRO Cc1cc(O)c(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000825422718 675652506 /nfs/dbraw/zinc/65/25/06/675652506.db2.gz RGTZKZFQQASNMA-UHFFFAOYSA-N 1 0 354.859 2.334 20 10 FECDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Br)cc2O)CCCOC1 ZINC000825535968 675658025 /nfs/dbraw/zinc/65/80/25/675658025.db2.gz CZCMYTFXVKLTAR-OAHLLOKOSA-N 1 0 358.232 2.357 20 10 FECDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000825556137 675658654 /nfs/dbraw/zinc/65/86/54/675658654.db2.gz OBAFXVLUWFSUCF-UKRRQHHQSA-N 1 0 360.248 2.065 20 10 FECDRO C[NH+]1CCC2(CC1)CN(C(=O)NCCCSc1nccs1)CCO2 ZINC000826693022 675700608 /nfs/dbraw/zinc/70/06/08/675700608.db2.gz QBWIBXAZLRGAAB-UHFFFAOYSA-N 1 0 370.544 2.132 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000827700215 675773505 /nfs/dbraw/zinc/77/35/05/675773505.db2.gz QBTGMSJZDNZVRG-HNNXBMFYSA-N 1 0 369.303 2.494 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](F)C3)cc2F)CC1 ZINC000838338684 680687611 /nfs/dbraw/zinc/68/76/11/680687611.db2.gz VZDOQUJIXBJCRC-HNNXBMFYSA-N 1 0 352.429 2.221 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1 ZINC000839175469 680742973 /nfs/dbraw/zinc/74/29/73/680742973.db2.gz QBASGYNWSFSDPH-CXAGYDPISA-N 1 0 351.443 2.467 20 10 FECDRO CC(C)OCCOC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000840145492 680802291 /nfs/dbraw/zinc/80/22/91/680802291.db2.gz XTNHMNBMIYRYHR-GOSISDBHSA-N 1 0 351.443 2.224 20 10 FECDRO O=S1(=O)CCCN1C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000840173116 680804269 /nfs/dbraw/zinc/80/42/69/680804269.db2.gz WXKAFEWCSKAPGZ-UHFFFAOYSA-N 1 0 364.511 2.271 20 10 FECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1O ZINC000840898654 680851155 /nfs/dbraw/zinc/85/11/55/680851155.db2.gz ZQKSEIIABIQPPB-LLVKDONJSA-N 1 0 351.838 2.175 20 10 FECDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765790612 680855316 /nfs/dbraw/zinc/85/53/16/680855316.db2.gz VVCWKMNLRCPMML-HOTGVXAUSA-N 1 0 351.466 2.034 20 10 FECDRO Cc1nn(C)c(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1Br ZINC000841041335 680860704 /nfs/dbraw/zinc/86/07/04/680860704.db2.gz FVWIJOJOYHORMJ-CQSZACIVSA-N 1 0 366.307 2.347 20 10 FECDRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000834892577 680280879 /nfs/dbraw/zinc/28/08/79/680280879.db2.gz WNRYVLFXJUYSSJ-GOSISDBHSA-N 1 0 354.516 2.387 20 10 FECDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3cccs3)CC2)cc1 ZINC000758186916 680560308 /nfs/dbraw/zinc/56/03/08/680560308.db2.gz RHNWVDMJBYHQJS-KRWDZBQOSA-N 1 0 361.511 2.029 20 10 FECDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000759172824 680633060 /nfs/dbraw/zinc/63/30/60/680633060.db2.gz IYEMJBCPWNYEFM-GXTWGEPZSA-N 1 0 360.248 2.447 20 10 FECDRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000760045778 680675166 /nfs/dbraw/zinc/67/51/66/680675166.db2.gz IZFOQNVXYGJYSP-INIZCTEOSA-N 1 0 368.547 2.160 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000842785253 680966296 /nfs/dbraw/zinc/96/62/96/680966296.db2.gz GBLVDBSMWRFJHW-HNNXBMFYSA-N 1 0 355.410 2.009 20 10 FECDRO Oc1ccc(Br)cc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000769327000 680978256 /nfs/dbraw/zinc/97/82/56/680978256.db2.gz JMXYCFXCKNXKGG-GDBMZVCRSA-N 1 0 355.276 2.186 20 10 FECDRO COCC1(O)CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000769451864 680983542 /nfs/dbraw/zinc/98/35/42/680983542.db2.gz OWLWINGUZOXBII-UHFFFAOYSA-N 1 0 360.248 2.137 20 10 FECDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)c(C)n1-c1ccc(Br)cn1 ZINC000843315586 680997629 /nfs/dbraw/zinc/99/76/29/680997629.db2.gz ZNPRCRHNSNPQJQ-CYBMUJFWSA-N 1 0 363.259 2.343 20 10 FECDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCN1c1nccn2cnnc12 ZINC000770279255 681011501 /nfs/dbraw/zinc/01/15/01/681011501.db2.gz HELKNERRLQLZFM-LBPRGKRZSA-N 1 0 358.833 2.194 20 10 FECDRO COc1c(O)c(C[NH2+][C@H](C)C(=O)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775007365 681267327 /nfs/dbraw/zinc/26/73/27/681267327.db2.gz LPKQSGFZOYYYGB-VXGBXAGGSA-N 1 0 351.403 2.188 20 10 FECDRO O=C1[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCN1C1CCOCC1 ZINC000776230443 681374855 /nfs/dbraw/zinc/37/48/55/681374855.db2.gz IPAJODLNLCEZTB-AWEZNQCLSA-N 1 0 369.259 2.024 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c1O ZINC000848552110 681576227 /nfs/dbraw/zinc/57/62/27/681576227.db2.gz HETPSYVIAKGIFQ-VFZGTOFNSA-N 1 0 357.248 2.483 20 10 FECDRO CCC1(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCOCC1 ZINC000850356426 681890365 /nfs/dbraw/zinc/89/03/65/681890365.db2.gz SERRGIDWWZCCJT-UHFFFAOYSA-N 1 0 366.527 2.218 20 10 FECDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566190 681917391 /nfs/dbraw/zinc/91/73/91/681917391.db2.gz LMHNLAAUHSDGFB-MOPGFXCFSA-N 1 0 366.527 2.093 20 10 FECDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000782776316 682081854 /nfs/dbraw/zinc/08/18/54/682081854.db2.gz BDYKFOLRBGCDFW-KDOFPFPSSA-N 1 0 352.450 2.100 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000782978706 682100261 /nfs/dbraw/zinc/10/02/61/682100261.db2.gz IMZSYOGXFVBPSR-JTQLQIEISA-N 1 0 366.414 2.232 20 10 FECDRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000783506263 682147895 /nfs/dbraw/zinc/14/78/95/682147895.db2.gz TUTYVMVAJWCFID-AWEZNQCLSA-N 1 0 364.467 2.168 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](F)C(C)C)CC2)cc1 ZINC000784028700 682194357 /nfs/dbraw/zinc/19/43/57/682194357.db2.gz VUVXGFAPXLISND-SFHVURJKSA-N 1 0 351.466 2.318 20 10 FECDRO CC[C@@H](C)[N@H+](CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852293906 682255579 /nfs/dbraw/zinc/25/55/79/682255579.db2.gz SIPDFCPOCRMTRZ-OAHLLOKOSA-N 1 0 351.466 2.399 20 10 FECDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000852628259 682310759 /nfs/dbraw/zinc/31/07/59/682310759.db2.gz BXNRBEWGNAYKRL-LBPRGKRZSA-N 1 0 356.264 2.438 20 10 FECDRO COc1ccc(N2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)cc1 ZINC000852771070 682341179 /nfs/dbraw/zinc/34/11/79/682341179.db2.gz ALYMAJGIELYQKU-UHFFFAOYSA-N 1 0 357.479 2.365 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1O ZINC000789764515 682629594 /nfs/dbraw/zinc/62/95/94/682629594.db2.gz YJJGHCVYPCQDKQ-GFCCVEGCSA-N 1 0 373.291 2.316 20 10 FECDRO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000790761242 682699863 /nfs/dbraw/zinc/69/98/63/682699863.db2.gz UCFZXFOKGNXKSM-YPMHNXCESA-N 1 0 362.264 2.219 20 10 FECDRO C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)c(F)cc1[O-] ZINC000925813769 683040504 /nfs/dbraw/zinc/04/05/04/683040504.db2.gz YKDFHXDYZBNVKT-JTQLQIEISA-N 1 0 360.271 2.368 20 10 FECDRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000795654666 683077799 /nfs/dbraw/zinc/07/77/99/683077799.db2.gz UVSACNIKJAKOOX-OAHLLOKOSA-N 1 0 370.515 2.251 20 10 FECDRO Cc1ccnn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000860243120 683222119 /nfs/dbraw/zinc/22/21/19/683222119.db2.gz XZFMVGGFVYIWKJ-MRXNPFEDSA-N 1 0 362.861 2.331 20 10 FECDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccccc1O ZINC000799725453 683488089 /nfs/dbraw/zinc/48/80/89/683488089.db2.gz HKWSEWIBIRNELM-LLVKDONJSA-N 1 0 356.394 2.300 20 10 FECDRO CCn1nc2c(cc1=O)CN(Cc1c(O)cccc1Br)CC2 ZINC000862251067 683558990 /nfs/dbraw/zinc/55/89/90/683558990.db2.gz ZWIVBFZOJLSXCL-UHFFFAOYSA-N 1 0 364.243 2.290 20 10 FECDRO C[C@H](C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)NC(=O)OC(C)(C)C ZINC000863333009 683707001 /nfs/dbraw/zinc/70/70/01/683707001.db2.gz NEUXBPYBGGSOMI-ABAIWWIYSA-N 1 0 352.431 2.163 20 10 FECDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000863339693 683708610 /nfs/dbraw/zinc/70/86/10/683708610.db2.gz FPRGGTVKPGOMNP-CQSZACIVSA-N 1 0 352.500 2.032 20 10 FECDRO COc1cccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)c1O ZINC000922472865 683730215 /nfs/dbraw/zinc/73/02/15/683730215.db2.gz HYGNFYHOSREQDP-UHFFFAOYSA-N 1 0 356.488 2.131 20 10 FECDRO CC(C)(C)c1cc(C[NH2+]C[C@H](O)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000922822788 683788272 /nfs/dbraw/zinc/78/82/72/683788272.db2.gz OTFMFASYVICAQZ-HNNXBMFYSA-N 1 0 371.543 2.482 20 10 FECDRO CCOC(C)(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000865202585 683950307 /nfs/dbraw/zinc/95/03/07/683950307.db2.gz RZKCFKDIRQYGPS-UHFFFAOYSA-N 1 0 351.466 2.399 20 10 FECDRO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(Br)cc1O ZINC000866521073 684115072 /nfs/dbraw/zinc/11/50/72/684115072.db2.gz KQVMLQSPOXOTEL-ZUZCIYMTSA-N 1 0 371.231 2.027 20 10 FECDRO [NH3+]CC[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000923745246 684345735 /nfs/dbraw/zinc/34/57/35/684345735.db2.gz MIKHYHYMPSUFHK-GFCCVEGCSA-N 1 0 374.491 2.408 20 10 FECDRO C[C@@H]([NH2+]CCCSc1nccs1)C1CCN(S(C)(=O)=O)CC1 ZINC000925101124 684524450 /nfs/dbraw/zinc/52/44/50/684524450.db2.gz GAQZTLYLDRSPRW-GFCCVEGCSA-N 1 0 363.574 2.275 20 10 FECDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000882988368 687541879 /nfs/dbraw/zinc/54/18/79/687541879.db2.gz MPGNXJCPYHBCFT-LLVKDONJSA-N 1 0 360.271 2.019 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000883379768 687619063 /nfs/dbraw/zinc/61/90/63/687619063.db2.gz NSVOWYGTZWMAHD-AULYBMBSSA-N 1 0 350.406 2.437 20 10 FECDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000886511411 688270840 /nfs/dbraw/zinc/27/08/40/688270840.db2.gz SSRIIHFEEKUVPU-LSDHHAIUSA-N 1 0 350.434 2.218 20 10 FECDRO C[NH+]1CCN(c2cc(C(=O)NCc3cccc(Cl)c3O)ccn2)CC1 ZINC000890757739 688962691 /nfs/dbraw/zinc/96/26/91/688962691.db2.gz JXFGTXJBFUPNLT-UHFFFAOYSA-N 1 0 360.845 2.122 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1F ZINC000891456516 689063878 /nfs/dbraw/zinc/06/38/78/689063878.db2.gz OZAVHDJWQUBROW-NEPJUHHUSA-N 1 0 362.371 2.170 20 10 FECDRO CN1CCCc2cc(CNC(=O)NC[C@H]3C[NH2+]CCC3(F)F)ccc21 ZINC000891459700 689064434 /nfs/dbraw/zinc/06/44/34/689064434.db2.gz FBXQEFAXXNSTEU-OAHLLOKOSA-N 1 0 352.429 2.113 20 10 FECDRO CC(C)[C@@H](CNC(=O)NCc1cccc(Cl)c1O)[NH+]1CCN(C)CC1 ZINC000891755161 689102261 /nfs/dbraw/zinc/10/22/61/689102261.db2.gz UWGPJBKCMVBZGI-MRXNPFEDSA-N 1 0 368.909 2.117 20 10 FECDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)[C@H]2C1 ZINC000892030595 689142816 /nfs/dbraw/zinc/14/28/16/689142816.db2.gz BJSVTASTRZKEKY-AEFFLSMTSA-N 1 0 360.527 2.085 20 10 FECDRO COC(=O)c1c(C[NH2+]C[C@@](C)(O)CSC)c2cc(F)ccc2n1C ZINC000894287143 689501209 /nfs/dbraw/zinc/50/12/09/689501209.db2.gz AZSLHGYZTBGAFZ-QGZVFWFLSA-N 1 0 354.447 2.308 20 10 FECDRO COC(=O)c1c(C[NH2+]CC2([S@@](C)=O)CC2)c2cc(F)ccc2n1C ZINC000894662596 689574980 /nfs/dbraw/zinc/57/49/80/689574980.db2.gz MVIFVFDIWRGZKB-XMMPIXPASA-N 1 0 352.431 2.105 20 10 FECDRO COc1cc(C)cc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1O ZINC000894986943 689635067 /nfs/dbraw/zinc/63/50/67/689635067.db2.gz WSWTZHBSKVARMJ-MRXNPFEDSA-N 1 0 351.443 2.215 20 10 FECDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897235530 689992297 /nfs/dbraw/zinc/99/22/97/689992297.db2.gz UTKIACSYNNROMI-UHFFFAOYSA-N 1 0 364.467 2.231 20 10 FECDRO Cc1ccc(O)c(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 ZINC000897274906 689998951 /nfs/dbraw/zinc/99/89/51/689998951.db2.gz ZAEFEHNCEUUNAF-UHFFFAOYSA-N 1 0 352.500 2.481 20 10 FECDRO COc1cc(C)cc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1O ZINC000898281755 690153700 /nfs/dbraw/zinc/15/37/00/690153700.db2.gz PVQOXADMTFRDCZ-UHFFFAOYSA-N 1 0 364.467 2.395 20 10 FECDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)N(C)C)cc1 ZINC000898450904 690185646 /nfs/dbraw/zinc/18/56/46/690185646.db2.gz VKMQGWUATHDQQT-UHOSZYNNSA-N 1 0 367.559 2.301 20 10 FECDRO CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)O ZINC000899103896 690304874 /nfs/dbraw/zinc/30/48/74/690304874.db2.gz OUXHBBAFDGTCCG-SJORKVTESA-N 1 0 350.507 2.204 20 10 FECDRO c1cnc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000042790628 540078983 /nfs/dbraw/zinc/07/89/83/540078983.db2.gz AYRKFIFQRPZZMM-UHFFFAOYSA-N 1 0 353.470 2.072 20 10 FECDRO CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000049153536 540382468 /nfs/dbraw/zinc/38/24/68/540382468.db2.gz FHJWIRNREGGLKT-UHFFFAOYSA-N 1 0 354.454 2.069 20 10 FECDRO CC1CC[NH+](CCCNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000054786391 540610209 /nfs/dbraw/zinc/61/02/09/540610209.db2.gz LONDTLAUXJRVLL-UHFFFAOYSA-N 1 0 374.529 2.444 20 10 FECDRO CN(C)c1ccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)cc1F ZINC000076901724 542328649 /nfs/dbraw/zinc/32/86/49/542328649.db2.gz FEBQBCLQTFSFLN-UHFFFAOYSA-N 1 0 357.433 2.076 20 10 FECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090412166 542784350 /nfs/dbraw/zinc/78/43/50/542784350.db2.gz CMRPHCQMAJYGTA-GDBMZVCRSA-N 1 0 364.465 2.117 20 10 FECDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3cc(C)ccc3O)CC2)CC1 ZINC000093141927 542912214 /nfs/dbraw/zinc/91/22/14/542912214.db2.gz HWKCXIOIOBWWCR-UHFFFAOYSA-N 1 0 359.514 2.467 20 10 FECDRO C[NH+]1CCC(CCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000108792483 543303190 /nfs/dbraw/zinc/30/31/90/543303190.db2.gz WWYXUFLHEVHKMJ-QPJJXVBHSA-N 1 0 357.498 2.385 20 10 FECDRO CCC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CC(=O)N(C)C1=O ZINC000802656592 674190396 /nfs/dbraw/zinc/19/03/96/674190396.db2.gz QUBAKGDRIFBXSJ-LBPRGKRZSA-N 1 0 355.232 2.124 20 10 FECDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000122189914 543704636 /nfs/dbraw/zinc/70/46/36/543704636.db2.gz LJQRTNHYNVYOOH-QGZVFWFLSA-N 1 0 374.506 2.475 20 10 FECDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156755161 545656176 /nfs/dbraw/zinc/65/61/76/545656176.db2.gz XMIQVGVHMWWZJO-HOTGVXAUSA-N 1 0 351.466 2.034 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1OC ZINC000160100901 546007665 /nfs/dbraw/zinc/00/76/65/546007665.db2.gz HMPMRWFCMOQNPF-CQSZACIVSA-N 1 0 350.459 2.394 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cnn(C)c3)CC2)cc1 ZINC000162812244 546141466 /nfs/dbraw/zinc/14/14/66/546141466.db2.gz RDJAYBVFFUHPPW-KRWDZBQOSA-N 1 0 357.502 2.292 20 10 FECDRO CC1(C)COCCN1CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171102029 546191060 /nfs/dbraw/zinc/19/10/60/546191060.db2.gz HIPREEGMBJWWMS-UHFFFAOYSA-N 1 0 360.502 2.197 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3c(C)n[nH]c3C)cc2F)CC1 ZINC000171624049 546216419 /nfs/dbraw/zinc/21/64/19/546216419.db2.gz ARTNDLIQZVKTFS-UHFFFAOYSA-N 1 0 373.476 2.166 20 10 FECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1O ZINC000184677033 547863339 /nfs/dbraw/zinc/86/33/39/547863339.db2.gz OWZSAIHFQKKIQW-ZDUSSCGKSA-N 1 0 368.861 2.125 20 10 FECDRO CC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(=O)N1CCOCC1 ZINC000185664650 548017376 /nfs/dbraw/zinc/01/73/76/548017376.db2.gz ZNGNNXQDXRYVHH-SMDDNHRTSA-N 1 0 371.275 2.443 20 10 FECDRO Cc1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000186928794 548220445 /nfs/dbraw/zinc/22/04/45/548220445.db2.gz RSBIXXYQVDLDSG-JKSUJKDBSA-N 1 0 356.470 2.016 20 10 FECDRO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000186935805 548224237 /nfs/dbraw/zinc/22/42/37/548224237.db2.gz XSRJSTXFQDTSMB-MRXNPFEDSA-N 1 0 370.497 2.406 20 10 FECDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000187515891 548258879 /nfs/dbraw/zinc/25/88/79/548258879.db2.gz SUKSZEOYVLSZCL-KRWDZBQOSA-N 1 0 374.529 2.273 20 10 FECDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000192099416 548358444 /nfs/dbraw/zinc/35/84/44/548358444.db2.gz LOZQMZYUIWKHIG-VXGBXAGGSA-N 1 0 359.392 2.142 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193996659 548419752 /nfs/dbraw/zinc/41/97/52/548419752.db2.gz HLBPQDJYRIJUAC-QGZVFWFLSA-N 1 0 355.486 2.314 20 10 FECDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262199724 549797513 /nfs/dbraw/zinc/79/75/13/549797513.db2.gz UWIWWEQYBBOXLU-QGZVFWFLSA-N 1 0 352.482 2.138 20 10 FECDRO O=C(COc1ccccc1C[NH2+]Cc1ccccc1O)NC[C@@H]1CCCO1 ZINC000263687139 549919834 /nfs/dbraw/zinc/91/98/34/549919834.db2.gz NVTOSIADNUAFGD-SFHVURJKSA-N 1 0 370.449 2.356 20 10 FECDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)nc1 ZINC000271048081 550335072 /nfs/dbraw/zinc/33/50/72/550335072.db2.gz NPVXSYALBKLAAB-UHFFFAOYSA-N 1 0 371.437 2.295 20 10 FECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(OC)c(OC)cc1O)CC2 ZINC000271883666 550408333 /nfs/dbraw/zinc/40/83/33/550408333.db2.gz VTAAPFIJANGXFA-MSOLQXFVSA-N 1 0 351.443 2.161 20 10 FECDRO O=C(NCc1ccccc1O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277087409 550630745 /nfs/dbraw/zinc/63/07/45/550630745.db2.gz UYMGAESISAXGIJ-IBGZPJMESA-N 1 0 369.465 2.483 20 10 FECDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cc(OC)ccc3O)CC2)n1 ZINC000278673707 550810083 /nfs/dbraw/zinc/81/00/83/550810083.db2.gz LRSSHRCDPNTLSB-UHFFFAOYSA-N 1 0 360.414 2.075 20 10 FECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000279507600 550897796 /nfs/dbraw/zinc/89/77/96/550897796.db2.gz WXLMZBASLGFHFO-OAHLLOKOSA-N 1 0 358.891 2.354 20 10 FECDRO CNC(=O)CN1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279928027 550943695 /nfs/dbraw/zinc/94/36/95/550943695.db2.gz MYEDAPDARMRKPX-UHFFFAOYSA-N 1 0 372.435 2.071 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc2c(cc1O)CCCC2 ZINC000280888259 551042734 /nfs/dbraw/zinc/04/27/34/551042734.db2.gz DWQCJJVGXAKXFW-KGLIPLIRSA-N 1 0 368.481 2.480 20 10 FECDRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(Br)cc1O ZINC000282887199 551281840 /nfs/dbraw/zinc/28/18/40/551281840.db2.gz VZQNFDOZAPTIPS-LBPRGKRZSA-N 1 0 374.275 2.363 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000285719882 551800723 /nfs/dbraw/zinc/80/07/23/551800723.db2.gz FDRQGPWZJKHUSS-OXJNMPFZSA-N 1 0 361.461 2.058 20 10 FECDRO CCCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000285899548 551825154 /nfs/dbraw/zinc/82/51/54/551825154.db2.gz MUECJOFEBMFIJZ-UHFFFAOYSA-N 1 0 374.529 2.092 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287069255 551959402 /nfs/dbraw/zinc/95/94/02/551959402.db2.gz HETNQSZFOUTVLM-IRXDYDNUSA-N 1 0 361.486 2.120 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)C[C@@H](C)OC)cc2F)CC1 ZINC000287697307 552035257 /nfs/dbraw/zinc/03/52/57/552035257.db2.gz MKMMHCOXCBKROT-OAHLLOKOSA-N 1 0 366.481 2.144 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000289374769 552310131 /nfs/dbraw/zinc/31/01/31/552310131.db2.gz LVIDUIOVWNGKJZ-UHFFFAOYSA-N 1 0 353.532 2.294 20 10 FECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000289570203 552342043 /nfs/dbraw/zinc/34/20/43/552342043.db2.gz JLXYLMKHJGRLSH-CXAGYDPISA-N 1 0 351.834 2.307 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000289947848 552404008 /nfs/dbraw/zinc/40/40/08/552404008.db2.gz YPAUSVZNYCPWLC-IFXJQAMLSA-N 1 0 361.442 2.134 20 10 FECDRO CCN(CC)c1ccc(CN(CCOC)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000290361369 552466810 /nfs/dbraw/zinc/46/68/10/552466810.db2.gz GVGZROYFOHJKSW-INIZCTEOSA-N 1 0 372.506 2.307 20 10 FECDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292861000 552765705 /nfs/dbraw/zinc/76/57/05/552765705.db2.gz VHBALTFYVCPTJR-SFHVURJKSA-N 1 0 351.516 2.143 20 10 FECDRO Cn1cc([C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CC23CCOCC3)cn1 ZINC000295044067 552953673 /nfs/dbraw/zinc/95/36/73/552953673.db2.gz OZGPZMFFJNYING-MRXNPFEDSA-N 1 0 371.437 2.251 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000295963468 553082193 /nfs/dbraw/zinc/08/21/93/553082193.db2.gz JRXAJZRTTIGZMW-DFQSSKMNSA-N 1 0 357.498 2.306 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNCc3cc(COC)on3)cc2F)CC1 ZINC000298591684 553446008 /nfs/dbraw/zinc/44/60/08/553446008.db2.gz YLIUEAXVMFNCFH-UHFFFAOYSA-N 1 0 362.449 2.392 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000299154833 553522642 /nfs/dbraw/zinc/52/26/42/553522642.db2.gz XBBKLUOXFLFIID-HXUWFJFHSA-N 1 0 355.482 2.472 20 10 FECDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Br)ccc3O)CC2)C1 ZINC000362376260 554967743 /nfs/dbraw/zinc/96/77/43/554967743.db2.gz MNWQSGOSVMPARA-INIZCTEOSA-N 1 0 368.319 2.367 20 10 FECDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCOCC2)cc1 ZINC000363836977 555196319 /nfs/dbraw/zinc/19/63/19/555196319.db2.gz ZEXUOLHBOQLXTD-JXFKEZNVSA-N 1 0 370.497 2.440 20 10 FECDRO CN1CCCc2cc(CNC(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)ccc21 ZINC000364200777 555268263 /nfs/dbraw/zinc/26/82/63/555268263.db2.gz LAKWHVGKKVKTBH-DJPFJPOOSA-N 1 0 357.498 2.218 20 10 FECDRO COC(=O)[C@@H]1CC[C@H]1C(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000367543504 556078463 /nfs/dbraw/zinc/07/84/63/556078463.db2.gz CJNJHZDJUKBQDK-QZTJIDSGSA-N 1 0 360.454 2.322 20 10 FECDRO Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000367656607 556106457 /nfs/dbraw/zinc/10/64/57/556106457.db2.gz DKZWLUKHRUJODC-QGZVFWFLSA-N 1 0 353.470 2.275 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1 ZINC000368827381 556424185 /nfs/dbraw/zinc/42/41/85/556424185.db2.gz ZUYRZESVKPPARE-OAHLLOKOSA-N 1 0 362.470 2.423 20 10 FECDRO Cn1nncc1C[NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000370269216 556825846 /nfs/dbraw/zinc/82/58/46/556825846.db2.gz RBKVUUZDHQBHIM-UHFFFAOYSA-N 1 0 355.364 2.472 20 10 FECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372312990 557437270 /nfs/dbraw/zinc/43/72/70/557437270.db2.gz GGPAUZYKXQICAK-FQEVSTJZSA-N 1 0 356.514 2.025 20 10 FECDRO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCOC[C@H]1C1CC1 ZINC000372319382 557438611 /nfs/dbraw/zinc/43/86/11/557438611.db2.gz SMBZIYMGVVPVLV-OALUTQOASA-N 1 0 374.481 2.011 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2c2nccn2C)cc1 ZINC000372953696 557595571 /nfs/dbraw/zinc/59/55/71/557595571.db2.gz VAWXQSSZZVPWFX-SFHVURJKSA-N 1 0 355.486 2.282 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC3(CCOCC3)[C@@H]1C)cc2=O ZINC000375235416 557996430 /nfs/dbraw/zinc/99/64/30/557996430.db2.gz BAAVEWWNNCSDRS-ZDUSSCGKSA-N 1 0 374.441 2.003 20 10 FECDRO C[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000375835207 558086935 /nfs/dbraw/zinc/08/69/35/558086935.db2.gz RYQWUXJWZKEELH-JSGCOSHPSA-N 1 0 353.413 2.229 20 10 FECDRO CCn1ccnc1CN(C(=O)Cc1ccc(N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000376678799 558206811 /nfs/dbraw/zinc/20/68/11/558206811.db2.gz HTFKIBDHQLRQQN-SFHVURJKSA-N 1 0 367.497 2.199 20 10 FECDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377667549 558390922 /nfs/dbraw/zinc/39/09/22/558390922.db2.gz DNTDMHXSFLBRAU-QGZVFWFLSA-N 1 0 372.387 2.451 20 10 FECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(O)c1 ZINC000809785413 674509873 /nfs/dbraw/zinc/50/98/73/674509873.db2.gz WHSJBMYPYOWRJZ-AWEZNQCLSA-N 1 0 368.499 2.085 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@H](CO)COC(C)C)c1O ZINC000809768442 674509029 /nfs/dbraw/zinc/50/90/29/674509029.db2.gz LDBITENTLKKRFG-CYBMUJFWSA-N 1 0 362.264 2.381 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000826210432 608500471 /nfs/dbraw/zinc/50/04/71/608500471.db2.gz RGNNHCAVFICVGP-NSHDSACASA-N 1 0 355.398 2.440 20 10 FECDRO O=S(=O)(NCC[NH2+]Cc1ccc2ccccc2c1O)c1cccnc1 ZINC000816557940 675065218 /nfs/dbraw/zinc/06/52/18/675065218.db2.gz HGTYPILWDLCOPQ-UHFFFAOYSA-N 1 0 357.435 2.009 20 10 FECDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093360565 670751927 /nfs/dbraw/zinc/75/19/27/670751927.db2.gz RQLUWUPARQCEJN-SNVBAGLBSA-N 1 0 357.248 2.121 20 10 FECDRO COc1cc(C[NH2+]Cc2c(O)cccc2Cl)ccc1OCC(N)=O ZINC000113329632 670883462 /nfs/dbraw/zinc/88/34/62/670883462.db2.gz GNDFQVAGXBOSAA-UHFFFAOYSA-N 1 0 350.802 2.208 20 10 FECDRO CC[N@H+](CC(=O)N1CCO[C@H](C)C1)Cc1cc(Br)ccc1O ZINC000174426641 672361106 /nfs/dbraw/zinc/36/11/06/672361106.db2.gz JZFXAHSINDTKPI-GFCCVEGCSA-N 1 0 371.275 2.224 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c1 ZINC000182448143 672445599 /nfs/dbraw/zinc/44/55/99/672445599.db2.gz GPAGOJABABVEJN-CYBMUJFWSA-N 1 0 350.440 2.030 20 10 FECDRO CCOc1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c(O)c1 ZINC000725847614 673094203 /nfs/dbraw/zinc/09/42/03/673094203.db2.gz HSESBYKWXDPSBN-UHFFFAOYSA-N 1 0 364.467 2.000 20 10 FECDRO COC(=O)CC1CC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000818339033 675215420 /nfs/dbraw/zinc/21/54/20/675215420.db2.gz FYGWQAMJJIAYMF-UHFFFAOYSA-N 1 0 354.397 2.233 20 10 FECDRO Cc1cc(Br)cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1O ZINC000822529944 675490861 /nfs/dbraw/zinc/49/08/61/675490861.db2.gz LKWIQBABSGQHBU-UHFFFAOYSA-N 1 0 368.275 2.453 20 10 FECDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC000822575710 675492978 /nfs/dbraw/zinc/49/29/78/675492978.db2.gz WQGJTYBPCKWXQB-KRWDZBQOSA-N 1 0 351.491 2.412 20 10 FECDRO O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCN1CC(F)(F)F ZINC000825258762 675643938 /nfs/dbraw/zinc/64/39/38/675643938.db2.gz FBUHGMHPHAKBMR-JTQLQIEISA-N 1 0 367.165 2.408 20 10 FECDRO C[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000827956374 675788626 /nfs/dbraw/zinc/78/86/26/675788626.db2.gz LHYFHLAOLAPHDQ-JSGCOSHPSA-N 1 0 351.447 2.024 20 10 FECDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000761991030 680736802 /nfs/dbraw/zinc/73/68/02/680736802.db2.gz XBYISRZQQFJLIZ-CQSZACIVSA-N 1 0 369.487 2.498 20 10 FECDRO Cc1cc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)ccc1N(C)C ZINC000839623096 680767535 /nfs/dbraw/zinc/76/75/35/680767535.db2.gz XAZGMVBPZSVNIK-UHFFFAOYSA-N 1 0 351.516 2.061 20 10 FECDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C1=CC(=O)CS1 ZINC000765223120 680836038 /nfs/dbraw/zinc/83/60/38/680836038.db2.gz UPFZUSKRCKUACI-CYBMUJFWSA-N 1 0 354.472 2.333 20 10 FECDRO Cc1cc(O)c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(Cl)c1 ZINC000840951872 680856445 /nfs/dbraw/zinc/85/64/45/680856445.db2.gz KUKGXMKORNPAHD-AWEZNQCLSA-N 1 0 351.878 2.140 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C(C)(C)CN2CCOCC2)c1O ZINC000840963255 680857435 /nfs/dbraw/zinc/85/74/35/680857435.db2.gz MOBTXFYABCDFBD-UHFFFAOYSA-N 1 0 373.291 2.364 20 10 FECDRO COC[C@@]1(CNCc2cc(Br)cc(OC)c2O)CCC[NH2+]1 ZINC000841067279 680861675 /nfs/dbraw/zinc/86/16/75/680861675.db2.gz MQRLNMPIJPRHSL-HNNXBMFYSA-N 1 0 359.264 2.022 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H](SC)C1)cc2=O ZINC000749465613 680052345 /nfs/dbraw/zinc/05/23/45/680052345.db2.gz FVRZREVFLZIVQD-CYBMUJFWSA-N 1 0 364.471 2.329 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CSC[C@H]2CCCCO2)cc1 ZINC000832278460 680119520 /nfs/dbraw/zinc/11/95/20/680119520.db2.gz CKRCCAFCUXXLDW-SJORKVTESA-N 1 0 351.516 2.171 20 10 FECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000835025422 680286759 /nfs/dbraw/zinc/28/67/59/680286759.db2.gz UOQUFSVORIPAHE-XQDHMALISA-N 1 0 351.516 2.027 20 10 FECDRO C[NH+](C)CCn1nccc1NC(=O)NCCCSc1nccs1 ZINC000836700414 680501634 /nfs/dbraw/zinc/50/16/34/680501634.db2.gz PYXHSJJTDIKEOY-UHFFFAOYSA-N 1 0 354.505 2.205 20 10 FECDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000766186608 680869506 /nfs/dbraw/zinc/86/95/06/680869506.db2.gz YKRCHQLBATXLOI-SCLBCKFNSA-N 1 0 364.877 2.294 20 10 FECDRO Cn1ncc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1Cl ZINC000841495392 680887611 /nfs/dbraw/zinc/88/76/11/680887611.db2.gz HFXWFGQEEOFTCJ-XFFZJAGNSA-N 1 0 356.904 2.369 20 10 FECDRO Fc1cc(C[NH2+]CCc2cn3c(n2)SCC3)ccc1N1CCOCC1 ZINC000767189620 680902077 /nfs/dbraw/zinc/90/20/77/680902077.db2.gz RBOHCSMNFCHKDK-UHFFFAOYSA-N 1 0 362.474 2.297 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000842016230 680922244 /nfs/dbraw/zinc/92/22/44/680922244.db2.gz TUXGFTOXADDHMK-UHIISALHSA-N 1 0 368.275 2.342 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000842785102 680966306 /nfs/dbraw/zinc/96/63/06/680966306.db2.gz OTOMEPABNHMVBH-CQSZACIVSA-N 1 0 355.410 2.009 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1O ZINC000842885173 680973536 /nfs/dbraw/zinc/97/35/36/680973536.db2.gz WKHWAXLHMRQBPQ-DGCLKSJQSA-N 1 0 351.399 2.417 20 10 FECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1O ZINC000843058505 680985031 /nfs/dbraw/zinc/98/50/31/680985031.db2.gz UTJZIDYWUIJIMZ-RHSMWYFYSA-N 1 0 365.905 2.434 20 10 FECDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(C)n1-c1ccc(Br)cn1 ZINC000843325910 680998424 /nfs/dbraw/zinc/99/84/24/680998424.db2.gz BUMJYPQXIQBIMM-ZDUSSCGKSA-N 1 0 363.259 2.425 20 10 FECDRO Fc1cc(CN2CCO[C@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000843417592 681002934 /nfs/dbraw/zinc/00/29/34/681002934.db2.gz JPLXAWVOGVKDQQ-GOSISDBHSA-N 1 0 352.475 2.370 20 10 FECDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000843488251 681006600 /nfs/dbraw/zinc/00/66/00/681006600.db2.gz VIALWRMKYWHAMQ-HZPDHXFCSA-N 1 0 355.429 2.243 20 10 FECDRO COc1cccc(O)c1C[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000771980129 681076978 /nfs/dbraw/zinc/07/69/78/681076978.db2.gz NHRRJWRJWWXPON-UHFFFAOYSA-N 1 0 370.496 2.147 20 10 FECDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846144553 681188778 /nfs/dbraw/zinc/18/87/78/681188778.db2.gz MJFBMPSZTIOENZ-ZDUSSCGKSA-N 1 0 364.467 2.301 20 10 FECDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000774482608 681193947 /nfs/dbraw/zinc/19/39/47/681193947.db2.gz GZYYBBQVBQAARZ-QWRGUYRKSA-N 1 0 360.380 2.180 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000774482605 681194115 /nfs/dbraw/zinc/19/41/15/681194115.db2.gz GZYYBBQVBQAARZ-MNOVXSKESA-N 1 0 360.380 2.180 20 10 FECDRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000846209904 681201463 /nfs/dbraw/zinc/20/14/63/681201463.db2.gz TZGGRVBQVXVFAR-AWEZNQCLSA-N 1 0 351.878 2.450 20 10 FECDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000776521288 681399193 /nfs/dbraw/zinc/39/91/93/681399193.db2.gz VQOMKIUGSQKHLX-OAHLLOKOSA-N 1 0 360.248 2.337 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NCC2CC2)c1O ZINC000848544341 681574786 /nfs/dbraw/zinc/57/47/86/681574786.db2.gz QFRMUCPTILCBRP-SECBINFHSA-N 1 0 357.248 2.340 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000848548915 681575838 /nfs/dbraw/zinc/57/58/38/681575838.db2.gz MCZHKJIETGHDQJ-DTWKUNHWSA-N 1 0 363.227 2.288 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000778187652 681584025 /nfs/dbraw/zinc/58/40/25/681584025.db2.gz BYYREHMLSMZNRH-GFCCVEGCSA-N 1 0 352.232 2.464 20 10 FECDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779031544 681673724 /nfs/dbraw/zinc/67/37/24/681673724.db2.gz JNBCIZVRBNDMPB-SNVBAGLBSA-N 1 0 365.293 2.053 20 10 FECDRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1ccc(N2CCCC2)cc1 ZINC000913915263 685488602 /nfs/dbraw/zinc/48/86/02/685488602.db2.gz BJWHHRXTVBJYIM-IBGZPJMESA-N 1 0 363.527 2.192 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000781906377 681987163 /nfs/dbraw/zinc/98/71/63/681987163.db2.gz BWYZTQWEOZZSBP-HOTGVXAUSA-N 1 0 369.303 2.494 20 10 FECDRO COc1ccc(N(C)CC[N@H+](C)CCn2cnc(Br)n2)cc1 ZINC000852211707 682240297 /nfs/dbraw/zinc/24/02/97/682240297.db2.gz OWAHBFNMSAAQOC-UHFFFAOYSA-N 1 0 368.279 2.117 20 10 FECDRO CCc1csc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000918852376 685542715 /nfs/dbraw/zinc/54/27/15/685542715.db2.gz LZIKZTFZQZQPHG-UHFFFAOYSA-N 1 0 358.511 2.316 20 10 FECDRO COC1(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCCC1 ZINC000790962049 682716409 /nfs/dbraw/zinc/71/64/09/682716409.db2.gz ZOTDAABILYLIOP-UHFFFAOYSA-N 1 0 366.527 2.360 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000793023439 682858200 /nfs/dbraw/zinc/85/82/00/682858200.db2.gz ZPVCHTZHMZKNJC-ZDUSSCGKSA-N 1 0 350.406 2.438 20 10 FECDRO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000927033722 683201149 /nfs/dbraw/zinc/20/11/49/683201149.db2.gz PZRGFOLXQNAPBA-YJBOKZPZSA-N 1 0 354.516 2.123 20 10 FECDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000865819405 684033388 /nfs/dbraw/zinc/03/33/88/684033388.db2.gz SVCVXVJPFLGMQF-UHFFFAOYSA-N 1 0 365.474 2.132 20 10 FECDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000866578115 684122031 /nfs/dbraw/zinc/12/20/31/684122031.db2.gz JOQQRTFIKZKYCD-ZDUSSCGKSA-N 1 0 364.467 2.202 20 10 FECDRO COc1ncc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000877146392 686331991 /nfs/dbraw/zinc/33/19/91/686331991.db2.gz SBEVEAKJQXKEOV-CQSZACIVSA-N 1 0 360.483 2.143 20 10 FECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)CCC1(F)F ZINC000877695946 686439293 /nfs/dbraw/zinc/43/92/93/686439293.db2.gz HLPNOYZUXSSXMN-LBPRGKRZSA-N 1 0 359.369 2.430 20 10 FECDRO C[C@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1ccccc1O ZINC000879651633 686879530 /nfs/dbraw/zinc/87/95/30/686879530.db2.gz DYZPLKXANLTCNU-HNNXBMFYSA-N 1 0 359.495 2.449 20 10 FECDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C[C@@H]1O ZINC000886253716 688220502 /nfs/dbraw/zinc/22/05/02/688220502.db2.gz GUHABDUFOHGUMO-AYGBPOKTSA-N 1 0 369.303 2.413 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000890759431 688962644 /nfs/dbraw/zinc/96/26/44/688962644.db2.gz BLYCOOCVBXQHNG-IBGZPJMESA-N 1 0 360.841 2.299 20 10 FECDRO COCc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000891256395 689040737 /nfs/dbraw/zinc/04/07/37/689040737.db2.gz XUNGPRAIMNWBFM-INIZCTEOSA-N 1 0 362.499 2.388 20 10 FECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891566170 689078905 /nfs/dbraw/zinc/07/89/05/689078905.db2.gz SHGDBWJEOSHCKH-HIFRSBDPSA-N 1 0 358.408 2.340 20 10 FECDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891589659 689080750 /nfs/dbraw/zinc/08/07/50/689080750.db2.gz LFXAFQOAYXOFCU-OAHLLOKOSA-N 1 0 350.413 2.107 20 10 FECDRO COc1ccc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c(O)c1OC ZINC000892484902 689202419 /nfs/dbraw/zinc/20/24/19/689202419.db2.gz BKSNQZXWQHLDFL-UHFFFAOYSA-N 1 0 366.439 2.071 20 10 FECDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c(O)c1OC ZINC000893161685 689306294 /nfs/dbraw/zinc/30/62/94/689306294.db2.gz XLGSNTFFEIASIH-HZPDHXFCSA-N 1 0 350.459 2.142 20 10 FECDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893677342 689384794 /nfs/dbraw/zinc/38/47/94/689384794.db2.gz RLMULDAMGPHLOM-TZMCWYRMSA-N 1 0 352.431 2.366 20 10 FECDRO COC(=O)[C@@H]1[C@@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893910907 689427128 /nfs/dbraw/zinc/42/71/28/689427128.db2.gz QDAGRRJTPATOMD-CVEARBPZSA-N 1 0 354.397 2.009 20 10 FECDRO COC(=O)[C@H]1[C@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893911110 689427157 /nfs/dbraw/zinc/42/71/57/689427157.db2.gz QDAGRRJTPATOMD-JKSUJKDBSA-N 1 0 354.397 2.009 20 10 FECDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)n1 ZINC000893937837 689433969 /nfs/dbraw/zinc/43/39/69/689433969.db2.gz AOOUQOPCZANHNS-UHFFFAOYSA-N 1 0 366.439 2.375 20 10 FECDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1OC ZINC000894277615 689499044 /nfs/dbraw/zinc/49/90/44/689499044.db2.gz MHZKUQMKQTXKTA-KDOFPFPSSA-N 1 0 351.443 2.067 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000894509271 689544959 /nfs/dbraw/zinc/54/49/59/689544959.db2.gz BBFNLYGSLKOIHB-WMLDXEAASA-N 1 0 350.532 2.408 20 10 FECDRO O=C1N=NCN1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000894608828 689564962 /nfs/dbraw/zinc/56/49/62/689564962.db2.gz DPQUFYKAIAHTLN-UHFFFAOYSA-N 1 0 353.220 2.289 20 10 FECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)c1 ZINC000896275732 689847440 /nfs/dbraw/zinc/84/74/40/689847440.db2.gz DIYWCLFLIYKTDR-UHFFFAOYSA-N 1 0 364.467 2.082 20 10 FECDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c(O)c1OC ZINC000896398803 689868715 /nfs/dbraw/zinc/86/87/15/689868715.db2.gz WIPQFIXRKFGMJC-SCLBCKFNSA-N 1 0 350.415 2.120 20 10 FECDRO C[NH+](C)C1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896839662 689937812 /nfs/dbraw/zinc/93/78/12/689937812.db2.gz BATDPQPKMHRTGM-UHFFFAOYSA-N 1 0 363.483 2.068 20 10 FECDRO CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)O ZINC000899103895 690305010 /nfs/dbraw/zinc/30/50/10/690305010.db2.gz OUXHBBAFDGTCCG-IRXDYDNUSA-N 1 0 350.507 2.204 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000901326014 690635662 /nfs/dbraw/zinc/63/56/62/690635662.db2.gz DFHAUPCFIHXVRQ-SFHVURJKSA-N 1 0 366.845 2.033 20 10 FECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1O ZINC000903435831 690893856 /nfs/dbraw/zinc/89/38/56/690893856.db2.gz SLKZWPTYOFPWOT-QWRGUYRKSA-N 1 0 364.833 2.479 20 10 FECDRO CC[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Br)ccc1O ZINC000068800802 541629553 /nfs/dbraw/zinc/62/95/53/541629553.db2.gz WQXXNFPCLGENHH-ZFWWWQNUSA-N 1 0 356.308 2.441 20 10 FECDRO C[NH+](C)C/C=C/C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203254 542638820 /nfs/dbraw/zinc/63/88/20/542638820.db2.gz UJPHIFNDKNYODT-YVZNUBBCSA-N 1 0 353.413 2.491 20 10 FECDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000085394456 542726299 /nfs/dbraw/zinc/72/62/99/542726299.db2.gz ANAVHUZUPLTVOQ-APWZRJJASA-N 1 0 360.502 2.005 20 10 FECDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000328635263 132306304 /nfs/dbraw/zinc/30/63/04/132306304.db2.gz NEYIKYQCVBMYNX-OALUTQOASA-N 1 0 356.470 2.359 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(O)c1 ZINC000092044956 542840985 /nfs/dbraw/zinc/84/09/85/542840985.db2.gz DEVNZMQKKYCANN-QGZVFWFLSA-N 1 0 368.499 2.181 20 10 FECDRO C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000097216647 543007511 /nfs/dbraw/zinc/00/75/11/543007511.db2.gz MACCBPZVVXBDDB-KRWDZBQOSA-N 1 0 360.502 2.054 20 10 FECDRO CC[N@H+](CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000101984625 543053266 /nfs/dbraw/zinc/05/32/66/543053266.db2.gz FMDIBXSMYRYLAO-UHFFFAOYSA-N 1 0 374.529 2.179 20 10 FECDRO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000152974320 544719010 /nfs/dbraw/zinc/71/90/10/544719010.db2.gz ONDXGOKWONEFGI-CALCHBBNSA-N 1 0 361.461 2.010 20 10 FECDRO COc1ccc(N2CCC([NH2+]CCNC(=O)c3ccccc3O)CC2)cc1 ZINC000154680009 544935789 /nfs/dbraw/zinc/93/57/89/544935789.db2.gz CWVCXSDZBUAFSM-UHFFFAOYSA-N 1 0 369.465 2.389 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156231104 545609934 /nfs/dbraw/zinc/60/99/34/545609934.db2.gz VJANCBHTYGRPKW-PKOBYXMFSA-N 1 0 361.486 2.302 20 10 FECDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000180706666 547163826 /nfs/dbraw/zinc/16/38/26/547163826.db2.gz RUJDLOSTWJVUKP-WGPAFIDWSA-N 1 0 360.454 2.211 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)COC(C)(C)C)CC2)cc1 ZINC000182261200 547462655 /nfs/dbraw/zinc/46/26/55/547462655.db2.gz PADHTJGAWAHFIU-UHFFFAOYSA-N 1 0 363.502 2.139 20 10 FECDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000182503748 547504435 /nfs/dbraw/zinc/50/44/35/547504435.db2.gz NRJXUBWXNKUUIT-WMZOPIPTSA-N 1 0 370.490 2.108 20 10 FECDRO COc1cc(N2CCN(CC[NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000183704831 547704613 /nfs/dbraw/zinc/70/46/13/547704613.db2.gz KAAIGUOWJYXSIU-UHFFFAOYSA-N 1 0 363.502 2.320 20 10 FECDRO COCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184683004 547864425 /nfs/dbraw/zinc/86/44/25/547864425.db2.gz UAAPMCDTXHMKJW-UHFFFAOYSA-N 1 0 370.877 2.419 20 10 FECDRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(Br)ccc1O ZINC000185002347 547915037 /nfs/dbraw/zinc/91/50/37/547915037.db2.gz ZJFNEWRYLGOCGD-SNVBAGLBSA-N 1 0 357.248 2.087 20 10 FECDRO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2)N1CCOCC1 ZINC000185168486 547944839 /nfs/dbraw/zinc/94/48/39/547944839.db2.gz ZEJKPLMGMOAWJR-HXUWFJFHSA-N 1 0 366.461 2.181 20 10 FECDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185589217 548006477 /nfs/dbraw/zinc/00/64/77/548006477.db2.gz SNDYZRYIKSRNTP-GOSISDBHSA-N 1 0 373.545 2.112 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000186100563 548084023 /nfs/dbraw/zinc/08/40/23/548084023.db2.gz PMCHZAOJFROGMP-LBPRGKRZSA-N 1 0 354.472 2.008 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188706802 548285460 /nfs/dbraw/zinc/28/54/60/548285460.db2.gz RQEGZBUYBMCZBB-XBXARRHUSA-N 1 0 363.461 2.456 20 10 FECDRO Cc1cc(C(=O)N2CCC(OCCC[NH3+])CC2)c(C)n1-c1ccccn1 ZINC000237679607 548844463 /nfs/dbraw/zinc/84/44/63/548844463.db2.gz NXPBMIVOCYVAQG-UHFFFAOYSA-N 1 0 356.470 2.459 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237831381 548857348 /nfs/dbraw/zinc/85/73/48/548857348.db2.gz DJZZLPCVTAYVJK-NJAFHUGGSA-N 1 0 361.461 2.199 20 10 FECDRO COCC1(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)CC[NH2+]CC1 ZINC000261998041 549778924 /nfs/dbraw/zinc/77/89/24/549778924.db2.gz KYVPMMRGILZCPY-UHFFFAOYSA-N 1 0 356.470 2.235 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3ccc(C(=O)OC)nn3)cc2F)CC1 ZINC000264401669 549995439 /nfs/dbraw/zinc/99/54/39/549995439.db2.gz MLOKNGBBDLCKAC-UHFFFAOYSA-N 1 0 373.432 2.156 20 10 FECDRO COc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1O ZINC000265826180 550014439 /nfs/dbraw/zinc/01/44/39/550014439.db2.gz YXWYUVOGCIYJDT-RTBURBONSA-N 1 0 356.466 2.373 20 10 FECDRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000266344743 550019178 /nfs/dbraw/zinc/01/91/78/550019178.db2.gz ZXUIFKOFERNBSE-OSICKASQSA-N 1 0 357.498 2.479 20 10 FECDRO [NH3+]C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000269240934 550171215 /nfs/dbraw/zinc/17/12/15/550171215.db2.gz JPMFYMVNZJSEOI-NRFANRHFSA-N 1 0 367.493 2.254 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1OC ZINC000271890368 550409201 /nfs/dbraw/zinc/40/92/01/550409201.db2.gz RVYKJWJJGVBRAI-INIZCTEOSA-N 1 0 356.422 2.300 20 10 FECDRO C[NH+]1CCC(C)(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000273012972 550480730 /nfs/dbraw/zinc/48/07/30/550480730.db2.gz QHPYOJFJETYPNY-VMPITWQZSA-N 1 0 357.498 2.385 20 10 FECDRO Cc1ccc(O)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273507308 550500875 /nfs/dbraw/zinc/50/08/75/550500875.db2.gz QHKHNZOMOSFPMU-UHFFFAOYSA-N 1 0 350.396 2.172 20 10 FECDRO COC(=O)c1cn(C2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)nn1 ZINC000273779173 550511052 /nfs/dbraw/zinc/51/10/52/550511052.db2.gz SGCUCBHQMASQCO-UHFFFAOYSA-N 1 0 361.421 2.107 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000276946829 550613914 /nfs/dbraw/zinc/61/39/14/550613914.db2.gz UTYWVHCYYJDDIU-ZDUSSCGKSA-N 1 0 365.451 2.018 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)cc1 ZINC000278748134 550817767 /nfs/dbraw/zinc/81/77/67/550817767.db2.gz RWCBKLOZIXHUGZ-UYAOXDASSA-N 1 0 350.503 2.379 20 10 FECDRO O=C(NCC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)C(F)(F)F ZINC000281115797 551065209 /nfs/dbraw/zinc/06/52/09/551065209.db2.gz BSYWBPPSBUXRAM-UHFFFAOYSA-N 1 0 360.332 2.011 20 10 FECDRO Cc1cc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(C)n1-c1ccccn1 ZINC000281679405 551129610 /nfs/dbraw/zinc/12/96/10/551129610.db2.gz FBCWROSRGYIENK-UHFFFAOYSA-N 1 0 369.513 2.245 20 10 FECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000282326297 551212038 /nfs/dbraw/zinc/21/20/38/551212038.db2.gz ALFCGLQHSZKNLS-DOTOQJQBSA-N 1 0 361.486 2.107 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000284313361 551521716 /nfs/dbraw/zinc/52/17/16/551521716.db2.gz ZIUIJZHGQRLTRH-UHFFFAOYSA-N 1 0 373.497 2.121 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 ZINC000289262656 552290929 /nfs/dbraw/zinc/29/09/29/552290929.db2.gz FUPORVHAPVNIQN-FXAWDEMLSA-N 1 0 358.486 2.485 20 10 FECDRO COc1c(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273721 552293632 /nfs/dbraw/zinc/29/36/32/552293632.db2.gz GNKWEHWKYXXUKY-MNOVXSKESA-N 1 0 364.320 2.302 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000289360127 552306992 /nfs/dbraw/zinc/30/69/92/552306992.db2.gz IPIKTBXTGBIGTB-UNMCSNQZSA-N 1 0 366.509 2.404 20 10 FECDRO C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+](C2CCC2)C1 ZINC000292068430 552690251 /nfs/dbraw/zinc/69/02/51/552690251.db2.gz CHMUHSOMMLLLGM-KRWDZBQOSA-N 1 0 358.530 2.175 20 10 FECDRO O=S(=O)(N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1)C(F)(F)F ZINC000297521610 553303514 /nfs/dbraw/zinc/30/35/14/553303514.db2.gz DBADFBJBHJWYML-LBPRGKRZSA-N 1 0 364.389 2.283 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890339 554893699 /nfs/dbraw/zinc/89/36/99/554893699.db2.gz XXOKMCOSGLIHBW-RYQLBKOJSA-N 1 0 363.477 2.176 20 10 FECDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Br)ccc3O)CC2)C1 ZINC000362376261 554968001 /nfs/dbraw/zinc/96/80/01/554968001.db2.gz MNWQSGOSVMPARA-MRXNPFEDSA-N 1 0 368.319 2.367 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000362466514 554973411 /nfs/dbraw/zinc/97/34/11/554973411.db2.gz PGUJZSIHUBPROL-RLLQIKCJSA-N 1 0 357.498 2.402 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000362466515 554973478 /nfs/dbraw/zinc/97/34/78/554973478.db2.gz PGUJZSIHUBPROL-SXLOBPIMSA-N 1 0 357.498 2.402 20 10 FECDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000363669766 555160718 /nfs/dbraw/zinc/16/07/18/555160718.db2.gz IGFQJQAGTCGZJO-ZTHQHREZSA-N 1 0 355.482 2.122 20 10 FECDRO CCOc1cccc(C[NH2+][C@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1O ZINC000363966573 555223653 /nfs/dbraw/zinc/22/36/53/555223653.db2.gz NTAJYHICLMHGRH-KRWDZBQOSA-N 1 0 370.453 2.170 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000364534961 555331576 /nfs/dbraw/zinc/33/15/76/555331576.db2.gz YYDGEQIGWMNMGT-LBPRGKRZSA-N 1 0 353.220 2.202 20 10 FECDRO COc1cc(Br)cc(CN2CCC[N@@H+]([C@@H](C)CO)CC2)c1O ZINC000364921582 555438419 /nfs/dbraw/zinc/43/84/19/555438419.db2.gz KHXCCPCBNGGTGU-LBPRGKRZSA-N 1 0 373.291 2.052 20 10 FECDRO COC[C@H](C)OC[C@H](O)C[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000365739422 555656236 /nfs/dbraw/zinc/65/62/36/555656236.db2.gz VFXHSXLOTAQZEW-QFBILLFUSA-N 1 0 366.502 2.008 20 10 FECDRO O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000366325252 555812216 /nfs/dbraw/zinc/81/22/16/555812216.db2.gz OZUJCCAWTRGWND-CHWSQXEVSA-N 1 0 357.376 2.137 20 10 FECDRO COc1ccc2c(c1)[C@](O)(C[NH2+]Cc1cc3c(cc1O)OCO3)CCC2 ZINC000371357655 557159270 /nfs/dbraw/zinc/15/92/70/557159270.db2.gz OWAWMWZAWNVAEX-HXUWFJFHSA-N 1 0 357.406 2.443 20 10 FECDRO O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000372419584 557465889 /nfs/dbraw/zinc/46/58/89/557465889.db2.gz CYPJSXOXZDMVDF-KRWDZBQOSA-N 1 0 359.514 2.291 20 10 FECDRO C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000374514293 557893418 /nfs/dbraw/zinc/89/34/18/557893418.db2.gz NUHURSUIXOUVNZ-POZUXBRTSA-N 1 0 361.461 2.466 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1OC ZINC000376941323 558242183 /nfs/dbraw/zinc/24/21/83/558242183.db2.gz NVASVDWQRSWCQX-CYBMUJFWSA-N 1 0 362.386 2.351 20 10 FECDRO COc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1O ZINC000377701564 558400789 /nfs/dbraw/zinc/40/07/89/558400789.db2.gz UBUSTSPCLCYTAJ-CVEARBPZSA-N 1 0 364.442 2.270 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1F ZINC000377714016 558403284 /nfs/dbraw/zinc/40/32/84/558403284.db2.gz DDHFPWYJSAQGPO-UHFFFAOYSA-N 1 0 362.449 2.188 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000378470835 558565129 /nfs/dbraw/zinc/56/51/29/558565129.db2.gz BZRLNEMRVCYNLP-FUHWJXTLSA-N 1 0 369.513 2.311 20 10 FECDRO Cn1cc([C@H]2[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)CCC[N@@H+]2C)cn1 ZINC000378537489 558577916 /nfs/dbraw/zinc/57/79/16/558577916.db2.gz FAJKQWDKCWXNPJ-IVBWXWQKSA-N 1 0 370.453 2.044 20 10 FECDRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000527775344 562303553 /nfs/dbraw/zinc/30/35/53/562303553.db2.gz SQAVWWSIWJGBFG-INIZCTEOSA-N 1 0 356.422 2.494 20 10 FECDRO CC[C@@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC[N@@H+]1C[C@H](C)O ZINC000472219558 561021294 /nfs/dbraw/zinc/02/12/94/561021294.db2.gz GWBPMLUOSREULB-DOTOQJQBSA-N 1 0 372.513 2.473 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1 ZINC000809971583 674522981 /nfs/dbraw/zinc/52/29/81/674522981.db2.gz HWIUNCXLCZUQHS-XIKOKIGWSA-N 1 0 354.447 2.327 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)c1 ZINC000826210556 608500609 /nfs/dbraw/zinc/50/06/09/608500609.db2.gz WKBJHQLXJYQKCB-LLVKDONJSA-N 1 0 355.398 2.440 20 10 FECDRO Cc1cccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1O ZINC000826298275 608583060 /nfs/dbraw/zinc/58/30/60/608583060.db2.gz LKMJFAXAYRQEEV-UHFFFAOYSA-N 1 0 368.416 2.342 20 10 FECDRO COc1cccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000826216158 608853581 /nfs/dbraw/zinc/85/35/81/608853581.db2.gz MTAIOSSGZVCMNE-KRWDZBQOSA-N 1 0 367.409 2.154 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ccc1N(C)C ZINC000815117213 674920795 /nfs/dbraw/zinc/92/07/95/674920795.db2.gz AJUFYXFMAALKDE-QGZVFWFLSA-N 1 0 365.543 2.355 20 10 FECDRO C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000817971854 675188236 /nfs/dbraw/zinc/18/82/36/675188236.db2.gz HWUFWONSRBLKAO-TVQRCGJNSA-N 1 0 353.335 2.157 20 10 FECDRO COC(=O)C[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267435 672121481 /nfs/dbraw/zinc/12/14/81/672121481.db2.gz FERGQRHNZXLYAT-WFASDCNBSA-N 1 0 368.861 2.325 20 10 FECDRO CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000157083219 672254527 /nfs/dbraw/zinc/25/45/27/672254527.db2.gz IHSWLEFBCFGFEF-JTQLQIEISA-N 1 0 372.263 2.211 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000182358072 672443709 /nfs/dbraw/zinc/44/37/09/672443709.db2.gz IIRVFIKHLAJEGU-CYBMUJFWSA-N 1 0 360.435 2.397 20 10 FECDRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000184964200 672513930 /nfs/dbraw/zinc/51/39/30/672513930.db2.gz IJJVJWMSDCECKF-ZDUSSCGKSA-N 1 0 352.500 2.346 20 10 FECDRO COc1ccc(O)c(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000310657003 673025494 /nfs/dbraw/zinc/02/54/94/673025494.db2.gz VLWZKOOITQYRPD-AWEZNQCLSA-N 1 0 352.431 2.126 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1 ZINC000725847473 673094167 /nfs/dbraw/zinc/09/41/67/673094167.db2.gz MJHVJDKYUBRJQE-UHFFFAOYSA-N 1 0 364.467 2.000 20 10 FECDRO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000746296377 673871361 /nfs/dbraw/zinc/87/13/61/673871361.db2.gz KXAAPUPDGFGSCY-UHFFFAOYSA-N 1 0 351.516 2.144 20 10 FECDRO CSC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000818963818 675247326 /nfs/dbraw/zinc/24/73/26/675247326.db2.gz ASZQSIHMFXJWCD-AWEZNQCLSA-N 1 0 364.433 2.356 20 10 FECDRO CCOC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000818963844 675247357 /nfs/dbraw/zinc/24/73/57/675247357.db2.gz BXANUEDALVCTAG-OAHLLOKOSA-N 1 0 362.392 2.029 20 10 FECDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819122132 675262349 /nfs/dbraw/zinc/26/23/49/675262349.db2.gz RCDAZPQLYZPNJE-KRWDZBQOSA-N 1 0 354.466 2.052 20 10 FECDRO CC(C)OCC[C@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819358730 675285240 /nfs/dbraw/zinc/28/52/40/675285240.db2.gz PBSAHZIKFMLRII-HNNXBMFYSA-N 1 0 358.429 2.067 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000819377962 675286556 /nfs/dbraw/zinc/28/65/56/675286556.db2.gz XULSGBITWJHJFQ-APWZRJJASA-N 1 0 350.503 2.138 20 10 FECDRO COCC1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000823851498 675574327 /nfs/dbraw/zinc/57/43/27/675574327.db2.gz MNJVXUSECJRGHL-UHFFFAOYSA-N 1 0 366.527 2.216 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1O ZINC000824708950 675617422 /nfs/dbraw/zinc/61/74/22/675617422.db2.gz LOOGCLAVQGDDLO-HZMBPMFUSA-N 1 0 360.248 2.304 20 10 FECDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H](C)[NH3+] ZINC000827365709 675751269 /nfs/dbraw/zinc/75/12/69/675751269.db2.gz VRMSJAKFCJPMLA-ACJLOTCBSA-N 1 0 351.466 2.022 20 10 FECDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828461367 675821961 /nfs/dbraw/zinc/82/19/61/675821961.db2.gz UQZCPZUWFLNKDU-KRWDZBQOSA-N 1 0 351.516 2.109 20 10 FECDRO C[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)[N@H+](C)C1CC1 ZINC000761230699 680715739 /nfs/dbraw/zinc/71/57/39/680715739.db2.gz VTVASFPQHDPKAZ-NSHDSACASA-N 1 0 351.834 2.293 20 10 FECDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000761991026 680736810 /nfs/dbraw/zinc/73/68/10/680736810.db2.gz XBYISRZQQFJLIZ-AWEZNQCLSA-N 1 0 369.487 2.498 20 10 FECDRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840141721 680801637 /nfs/dbraw/zinc/80/16/37/680801637.db2.gz XEQFPVULUIQBPL-IAQYHMDHSA-N 1 0 360.376 2.134 20 10 FECDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765899874 680858918 /nfs/dbraw/zinc/85/89/18/680858918.db2.gz OGWPICIVWZHNIX-HZPDHXFCSA-N 1 0 352.450 2.366 20 10 FECDRO Nc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000841001950 680859185 /nfs/dbraw/zinc/85/91/85/680859185.db2.gz XLHBWODEFCLBES-OAHLLOKOSA-N 1 0 358.467 2.222 20 10 FECDRO C[NH+]1CCC(CNC(=S)NCc2cccc(Br)c2O)CC1 ZINC000765991861 680862764 /nfs/dbraw/zinc/86/27/64/680862764.db2.gz DQGBCEQYHQKOOS-UHFFFAOYSA-N 1 0 372.332 2.461 20 10 FECDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000754084824 680335732 /nfs/dbraw/zinc/33/57/32/680335732.db2.gz CSOMRWXBWPTWMB-ZDUSSCGKSA-N 1 0 355.460 2.108 20 10 FECDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706001 680908156 /nfs/dbraw/zinc/90/81/56/680908156.db2.gz BHGOPHUCKIOXJD-INIZCTEOSA-N 1 0 350.532 2.412 20 10 FECDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841755186 680910541 /nfs/dbraw/zinc/91/05/41/680910541.db2.gz HICFVOPMGMSGKI-OAHLLOKOSA-N 1 0 367.921 2.493 20 10 FECDRO C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1CCC[NH2+]C1 ZINC000841929690 680917809 /nfs/dbraw/zinc/91/78/09/680917809.db2.gz ZMZGFZMWIGUGNB-QWRGUYRKSA-N 1 0 356.264 2.342 20 10 FECDRO Cc1nc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)sc1C ZINC000768461879 680947596 /nfs/dbraw/zinc/94/75/96/680947596.db2.gz HANHXFMMXGMPIT-INIZCTEOSA-N 1 0 361.467 2.214 20 10 FECDRO Cn1cc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)c(C(F)(F)F)n1 ZINC000768464041 680947660 /nfs/dbraw/zinc/94/76/60/680947660.db2.gz ZEVOALRDBIODSB-ZDUSSCGKSA-N 1 0 357.332 2.202 20 10 FECDRO Cc1ccc(CS(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000842785622 680966360 /nfs/dbraw/zinc/96/63/60/680966360.db2.gz OSHKTLDINZXSNS-SFHVURJKSA-N 1 0 365.474 2.320 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000842786489 680966494 /nfs/dbraw/zinc/96/64/94/680966494.db2.gz SQOMMPHHQHBVCN-MRXNPFEDSA-N 1 0 353.875 2.384 20 10 FECDRO CCOc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842787051 680966621 /nfs/dbraw/zinc/96/66/21/680966621.db2.gz ZGHIXNHSAPJKTO-SFHVURJKSA-N 1 0 363.483 2.130 20 10 FECDRO C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000769383308 680980262 /nfs/dbraw/zinc/98/02/62/680980262.db2.gz HDPAQFGEBOFHMY-UHFFFAOYSA-N 1 0 357.838 2.496 20 10 FECDRO C[C@@H]([NH3+])CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843474688 681005724 /nfs/dbraw/zinc/00/57/24/681005724.db2.gz VIXDFBOSYJIIHP-ZDIKFAODSA-N 1 0 369.537 2.193 20 10 FECDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844188373 681043502 /nfs/dbraw/zinc/04/35/02/681043502.db2.gz RPLWCXKPLACMOZ-KOZAUXTDSA-N 1 0 351.397 2.123 20 10 FECDRO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846193440 681198096 /nfs/dbraw/zinc/19/80/96/681198096.db2.gz IUKHTPMDUCZFRC-KBXCAEBGSA-N 1 0 354.878 2.369 20 10 FECDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000775380858 681302612 /nfs/dbraw/zinc/30/26/12/681302612.db2.gz YMPCFMJSWQOAOA-KKUMJFAQSA-N 1 0 372.506 2.352 20 10 FECDRO C[NH+]1CCN(c2ccc(CN3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000775645237 681320637 /nfs/dbraw/zinc/32/06/37/681320637.db2.gz GMIULTYWGFUUJT-UHFFFAOYSA-N 1 0 356.436 2.118 20 10 FECDRO COc1cc(Br)cc([C@@H](C)NC[C@H](O)C[NH+]2CCCC2)c1O ZINC000848524854 681571443 /nfs/dbraw/zinc/57/14/43/681571443.db2.gz XWMXCMJKXQDCES-YPMHNXCESA-N 1 0 373.291 2.271 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1O ZINC000848528724 681571971 /nfs/dbraw/zinc/57/19/71/681571971.db2.gz NSTRKAOBKKRUFR-KOLCDFICSA-N 1 0 357.248 2.435 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c1O ZINC000848549762 681576236 /nfs/dbraw/zinc/57/62/36/681576236.db2.gz SWIBFYGLFVQREY-YHAQOWFVSA-N 1 0 360.248 2.354 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCC(O)CC2)c1O ZINC000848553537 681576670 /nfs/dbraw/zinc/57/66/70/681576670.db2.gz UWDHVBOWHRGGFY-LLVKDONJSA-N 1 0 373.291 2.271 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)ccc1O ZINC000848564223 681579708 /nfs/dbraw/zinc/57/97/08/681579708.db2.gz JXQIPPDJDQUAQL-KOLCDFICSA-N 1 0 351.248 2.491 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(Br)cc1O ZINC000848563990 681579893 /nfs/dbraw/zinc/57/98/93/681579893.db2.gz GJTPIUBOROMIRC-KOLCDFICSA-N 1 0 351.248 2.491 20 10 FECDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000778157869 681580880 /nfs/dbraw/zinc/58/08/80/681580880.db2.gz FHFXJZKUBMJJDI-QGZVFWFLSA-N 1 0 361.511 2.404 20 10 FECDRO CCN(CCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)S(C)(=O)=O ZINC000850060822 681845716 /nfs/dbraw/zinc/84/57/16/681845716.db2.gz VBKOWDKMHKYKHG-UHFFFAOYSA-N 1 0 372.531 2.460 20 10 FECDRO COCCNC(=O)C1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850325244 681885490 /nfs/dbraw/zinc/88/54/90/681885490.db2.gz YKCYLDNQUUAYPA-UHFFFAOYSA-N 1 0 350.459 2.083 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1O ZINC000788467437 682531902 /nfs/dbraw/zinc/53/19/02/682531902.db2.gz HKGIJTPCPYZEJA-QZTJIDSGSA-N 1 0 350.434 2.467 20 10 FECDRO CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000790761239 682700011 /nfs/dbraw/zinc/70/00/11/682700011.db2.gz UCFZXFOKGNXKSM-AAEUAGOBSA-N 1 0 362.264 2.219 20 10 FECDRO CCOCc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)ccc1OC ZINC000796513982 683167559 /nfs/dbraw/zinc/16/75/59/683167559.db2.gz SDCNVHXVIRKQQZ-KRWDZBQOSA-N 1 0 370.515 2.135 20 10 FECDRO C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000927135654 683211335 /nfs/dbraw/zinc/21/13/35/683211335.db2.gz ZWTSYJRITOAZPF-ACJLOTCBSA-N 1 0 364.877 2.294 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O ZINC000927147977 683212313 /nfs/dbraw/zinc/21/23/13/683212313.db2.gz VNAUJDXMJDSLMW-KOLCDFICSA-N 1 0 351.248 2.491 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000862427591 683590046 /nfs/dbraw/zinc/59/00/46/683590046.db2.gz BONNPZZEKINPSN-LBPRGKRZSA-N 1 0 357.248 2.216 20 10 FECDRO CCN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1=O ZINC000922641182 683760414 /nfs/dbraw/zinc/76/04/14/683760414.db2.gz ZNQCPCHHIURIAT-GFCCVEGCSA-N 1 0 357.248 2.264 20 10 FECDRO COc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)S4(=O)=O)CC2)cc1 ZINC000922849527 683792542 /nfs/dbraw/zinc/79/25/42/683792542.db2.gz LBSHXFBAOKKLDI-QNBRMCRTSA-N 1 0 364.511 2.362 20 10 FECDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922950140 683810662 /nfs/dbraw/zinc/81/06/62/683810662.db2.gz CTTOOHPUFJECHA-HNNXBMFYSA-N 1 0 355.276 2.498 20 10 FECDRO Fc1cc(C[NH2+][C@@H]2CCOC23CCOCC3)ccc1N1CCOCC1 ZINC000924711344 684481986 /nfs/dbraw/zinc/48/19/86/684481986.db2.gz SLYJGQLQZPIISY-GOSISDBHSA-N 1 0 350.434 2.090 20 10 FECDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925055967 684521117 /nfs/dbraw/zinc/52/11/17/684521117.db2.gz QVGACJXNDAWOKK-PKOBYXMFSA-N 1 0 368.543 2.341 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000911666499 685241430 /nfs/dbraw/zinc/24/14/30/685241430.db2.gz ILMLWTHDBJUBBB-ZNMIVQPWSA-N 1 0 359.392 2.369 20 10 FECDRO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCCSc1nccs1 ZINC000876662158 686238873 /nfs/dbraw/zinc/23/88/73/686238873.db2.gz MBXRHQJBVTXWAM-OAHLLOKOSA-N 1 0 364.540 2.201 20 10 FECDRO COc1cc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)sn1 ZINC000876981812 686304778 /nfs/dbraw/zinc/30/47/78/686304778.db2.gz XMMCLSSNWXUYAB-UHFFFAOYSA-N 1 0 362.499 2.072 20 10 FECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC000877030461 686314689 /nfs/dbraw/zinc/31/46/89/686314689.db2.gz HSXNRCKFDDRVSM-LJQANCHMSA-N 1 0 366.527 2.216 20 10 FECDRO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(O)c1 ZINC000877112525 686327123 /nfs/dbraw/zinc/32/71/23/686327123.db2.gz UOFPULKGBPAZTM-UHFFFAOYSA-N 1 0 352.378 2.104 20 10 FECDRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@H](C)c1ccccc1O ZINC000879648259 686879812 /nfs/dbraw/zinc/87/98/12/686879812.db2.gz GZUUFTUXZNXFKV-HMHNVIDESA-N 1 0 350.440 2.023 20 10 FECDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000879651051 686879870 /nfs/dbraw/zinc/87/98/70/686879870.db2.gz FUXNGUMIHICVKZ-STQMWFEESA-N 1 0 362.451 2.474 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)CSCC(F)(F)F)cc2)CC1 ZINC000881851948 687234487 /nfs/dbraw/zinc/23/44/87/687234487.db2.gz DVRRVNZDBDXWRO-UHFFFAOYSA-N 1 0 361.433 2.350 20 10 FECDRO O=S(=O)(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CCC1 ZINC000882033963 687289373 /nfs/dbraw/zinc/28/93/73/687289373.db2.gz LBIDKJJTYFTCEX-UHFFFAOYSA-N 1 0 363.527 2.191 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891368237 689054999 /nfs/dbraw/zinc/05/49/99/689054999.db2.gz ASXILBUSEGDANL-IEBWSBKVSA-N 1 0 360.527 2.324 20 10 FECDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccc(Cl)c2O)C1 ZINC000891597046 689081567 /nfs/dbraw/zinc/08/15/67/689081567.db2.gz DWFHRYPGNWQJLR-AWEZNQCLSA-N 1 0 355.866 2.202 20 10 FECDRO CCC[C@H]1CN(Cc2ccc(OC)c(OC)c2O)CC[N@@H+]1CCOC ZINC000892211921 689165126 /nfs/dbraw/zinc/16/51/26/689165126.db2.gz OFMALQIATRUVKH-INIZCTEOSA-N 1 0 352.475 2.342 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)NCCc2nccs2)[NH+](C)C)cc1 ZINC000892516499 689207145 /nfs/dbraw/zinc/20/71/45/689207145.db2.gz CATIFYOXQDIGAP-INIZCTEOSA-N 1 0 361.515 2.354 20 10 FECDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893691829 689386644 /nfs/dbraw/zinc/38/66/44/689386644.db2.gz WFKYPBWLAUFSFB-GFCCVEGCSA-N 1 0 352.431 2.366 20 10 FECDRO COC(=O)[C@@H]1[C@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1(F)F ZINC000893879793 689422461 /nfs/dbraw/zinc/42/24/61/689422461.db2.gz JKGFMNOHPDZXPP-DZKIICNBSA-N 1 0 355.381 2.428 20 10 FECDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C)nc2I)c1 ZINC000895393220 689708885 /nfs/dbraw/zinc/70/88/85/689708885.db2.gz XDPXXYXOFAQWFK-UHFFFAOYSA-N 1 0 357.195 2.329 20 10 FECDRO Brc1cnc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000895408814 689711184 /nfs/dbraw/zinc/71/11/84/689711184.db2.gz JSJFHGUFPMIZTC-UHFFFAOYSA-N 1 0 363.259 2.366 20 10 FECDRO O=c1cc(N2CC[C@@H]([NH2+]Cc3c(O)cccc3Br)C2)nc[nH]1 ZINC000898150031 690134300 /nfs/dbraw/zinc/13/43/00/690134300.db2.gz MLTCZFRPAOIGQY-SNVBAGLBSA-N 1 0 365.231 2.019 20 10 FECDRO COc1cccc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1O ZINC000898287628 690154923 /nfs/dbraw/zinc/15/49/23/690154923.db2.gz ZYLXRSBCXZOIMS-UHFFFAOYSA-N 1 0 350.440 2.086 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1F ZINC000898363569 690166217 /nfs/dbraw/zinc/16/62/17/690166217.db2.gz BVQGNECFVWYAJG-LBPRGKRZSA-N 1 0 365.840 2.409 20 10 FECDRO COc1ccc(O)c(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1 ZINC000898397449 690175135 /nfs/dbraw/zinc/17/51/35/690175135.db2.gz AYSNBGCGBDHLLK-XMMPIXPASA-N 1 0 355.504 2.187 20 10 FECDRO C[C@H](O)C[C@H](C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102502 690304403 /nfs/dbraw/zinc/30/44/03/690304403.db2.gz QBAQPYKKMGUVEO-RLFYNMQTSA-N 1 0 350.507 2.062 20 10 FECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000903235783 690873571 /nfs/dbraw/zinc/87/35/71/690873571.db2.gz VVDOEIPICCDSOL-GUTXKFCHSA-N 1 0 356.488 2.159 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000800308812 674039957 /nfs/dbraw/zinc/03/99/57/674039957.db2.gz AWBBYPPSGRVUTF-AEFFLSMTSA-N 1 0 353.532 2.340 20 10 FECDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000800479393 674056438 /nfs/dbraw/zinc/05/64/38/674056438.db2.gz ZBPRRYXHIZNRTE-IEBWSBKVSA-N 1 0 366.527 2.216 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC(F)(F)F)CC2)cc1 ZINC000045126021 540204101 /nfs/dbraw/zinc/20/41/01/540204101.db2.gz BTCYFERPAAOUQP-UHFFFAOYSA-N 1 0 374.407 2.069 20 10 FECDRO C[C@H]1C[NH+](CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000045633770 540219134 /nfs/dbraw/zinc/21/91/34/540219134.db2.gz WFLLTWJRENBJLK-IRXDYDNUSA-N 1 0 362.518 2.393 20 10 FECDRO C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)C[NH+]1CCCCC1 ZINC000054785801 540610182 /nfs/dbraw/zinc/61/01/82/540610182.db2.gz WDCDFLABIAXJHN-SFHVURJKSA-N 1 0 374.529 2.444 20 10 FECDRO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092071192 542843150 /nfs/dbraw/zinc/84/31/50/542843150.db2.gz YVLPQLLTAJOYNS-IBGZPJMESA-N 1 0 363.527 2.333 20 10 FECDRO CCCOc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c(O)c1 ZINC000092530446 542869047 /nfs/dbraw/zinc/86/90/47/542869047.db2.gz SEDQIEPIJYXEFM-UHFFFAOYSA-N 1 0 356.488 2.037 20 10 FECDRO O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H]([NH+]4CCCC4)CC3)cc2N1 ZINC000130851821 544168372 /nfs/dbraw/zinc/16/83/72/544168372.db2.gz JVBIOHWFAPCMNG-CYBMUJFWSA-N 1 0 360.414 2.380 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc1OC ZINC000160234790 546020344 /nfs/dbraw/zinc/02/03/44/546020344.db2.gz RJRGOTUJVSJFDX-AWEZNQCLSA-N 1 0 350.459 2.095 20 10 FECDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165414338 546153632 /nfs/dbraw/zinc/15/36/32/546153632.db2.gz RWOVYACUSUWASA-ALOPSCKCSA-N 1 0 361.461 2.199 20 10 FECDRO CN1CCCc2cc(CNC(=O)N3CC[NH+](C4CCOCC4)CC3)ccc21 ZINC000176286495 546427705 /nfs/dbraw/zinc/42/77/05/546427705.db2.gz NWOJQZYOIJYKIL-UHFFFAOYSA-N 1 0 372.513 2.075 20 10 FECDRO C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178766009 546846870 /nfs/dbraw/zinc/84/68/70/546846870.db2.gz HOQYGARFZUOOAU-MRXNPFEDSA-N 1 0 365.493 2.424 20 10 FECDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000180670281 547155314 /nfs/dbraw/zinc/15/53/14/547155314.db2.gz FEYBUCQUGJKQCW-FNORWQNLSA-N 1 0 353.422 2.287 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC[C@H](C)OC)CC2)cc1 ZINC000180849474 547193124 /nfs/dbraw/zinc/19/31/24/547193124.db2.gz RPIKYOINCZNFPQ-KRWDZBQOSA-N 1 0 363.502 2.139 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000185140783 547939030 /nfs/dbraw/zinc/93/90/30/547939030.db2.gz NXSWYDBMHGXERM-KDOFPFPSSA-N 1 0 352.500 2.259 20 10 FECDRO CC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(=O)N1CCOCC1 ZINC000185664687 548017337 /nfs/dbraw/zinc/01/73/37/548017337.db2.gz ZNGNNXQDXRYVHH-BXUZGUMPSA-N 1 0 371.275 2.443 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccco3)cc2F)CC1 ZINC000188676589 548285837 /nfs/dbraw/zinc/28/58/37/548285837.db2.gz WJTFGJBRERCLMR-UHFFFAOYSA-N 1 0 367.446 2.039 20 10 FECDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc4c(cc3O)OCO4)C2=O)cc1 ZINC000191797614 548351580 /nfs/dbraw/zinc/35/15/80/548351580.db2.gz ZBNFBBBEPLBHEB-INIZCTEOSA-N 1 0 354.406 2.320 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2F)CC1 ZINC000264407210 549995064 /nfs/dbraw/zinc/99/50/64/549995064.db2.gz NQKQUZVSJHXLOQ-UHFFFAOYSA-N 1 0 362.409 2.221 20 10 FECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266633099 550022032 /nfs/dbraw/zinc/02/20/32/550022032.db2.gz VQZHITVHNRKVIZ-SFHVURJKSA-N 1 0 361.446 2.129 20 10 FECDRO COCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000266891011 550025108 /nfs/dbraw/zinc/02/51/08/550025108.db2.gz UVUSONUPBDKETO-SFHVURJKSA-N 1 0 362.518 2.393 20 10 FECDRO CCn1cc([C@H](C)[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000268801188 550117615 /nfs/dbraw/zinc/11/76/15/550117615.db2.gz GEUCXLFXVIQUEI-KRWDZBQOSA-N 1 0 357.502 2.384 20 10 FECDRO [NH3+][C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000269472839 550199678 /nfs/dbraw/zinc/19/96/78/550199678.db2.gz BWOUJIHEQAMLRV-IBGZPJMESA-N 1 0 371.456 2.493 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000271855315 550406419 /nfs/dbraw/zinc/40/64/19/550406419.db2.gz SDIOZJVDOUFDHX-OLZOCXBDSA-N 1 0 361.394 2.220 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCO[C@@H](C)C3)cc2F)CC1 ZINC000271986399 550414982 /nfs/dbraw/zinc/41/49/82/550414982.db2.gz PIYLDBQELVYCQP-RDJZCZTQSA-N 1 0 363.477 2.399 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273398505 550497101 /nfs/dbraw/zinc/49/71/01/550497101.db2.gz MQMHRGVANDITKC-AWEZNQCLSA-N 1 0 371.441 2.298 20 10 FECDRO Cc1cc(Br)cc(CN2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000274105373 550523307 /nfs/dbraw/zinc/52/33/07/550523307.db2.gz KQZWNSYUFUHHJI-ZDUSSCGKSA-N 1 0 362.289 2.472 20 10 FECDRO COCCOCCOCC[N@H+](C)Cc1cc(Br)ccc1O ZINC000276151383 550577126 /nfs/dbraw/zinc/57/71/26/550577126.db2.gz GMOPEUALHCCKQZ-UHFFFAOYSA-N 1 0 362.264 2.266 20 10 FECDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C)cc1O ZINC000280278018 550976201 /nfs/dbraw/zinc/97/62/01/550976201.db2.gz YIESVJRBWNBQCP-QGZVFWFLSA-N 1 0 355.438 2.157 20 10 FECDRO CCOCC1(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000281655344 551126361 /nfs/dbraw/zinc/12/63/61/551126361.db2.gz KHNIWNCZCGLTIT-UHFFFAOYSA-N 1 0 363.477 2.401 20 10 FECDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c[nH+]cn2c1 ZINC000284422532 551545838 /nfs/dbraw/zinc/54/58/38/551545838.db2.gz SLJZZMGNZGHHJM-UHFFFAOYSA-N 1 0 368.412 2.365 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1OC ZINC000294002922 552874299 /nfs/dbraw/zinc/87/42/99/552874299.db2.gz MJLIDMPSWKPDLH-GOSISDBHSA-N 1 0 351.443 2.067 20 10 FECDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCN(CCCO)C2)c1O ZINC000294681729 552926288 /nfs/dbraw/zinc/92/62/88/552926288.db2.gz BGFPCJCFZWMALY-HNNXBMFYSA-N 1 0 357.292 2.400 20 10 FECDRO CCOC(=O)C1([S@](C)=O)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000294751283 552931664 /nfs/dbraw/zinc/93/16/64/552931664.db2.gz IFLSLPSRUCOYOK-QHCPKHFHSA-N 1 0 359.875 2.322 20 10 FECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295058409 552954871 /nfs/dbraw/zinc/95/48/71/552954871.db2.gz GJAONYVOFBLPRM-CQSZACIVSA-N 1 0 354.447 2.108 20 10 FECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000296595918 553184618 /nfs/dbraw/zinc/18/46/18/553184618.db2.gz QWVWZEDRTPBZHR-OAHLLOKOSA-N 1 0 352.431 2.126 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000298753580 553468497 /nfs/dbraw/zinc/46/84/97/553468497.db2.gz PXUOBURIVNYRHB-FUHWJXTLSA-N 1 0 373.497 2.074 20 10 FECDRO Nc1nc(-n2cccn2)cc(NCc2ccc(N3CCSCC3)cc2)[nH+]1 ZINC000301645482 553668230 /nfs/dbraw/zinc/66/82/30/553668230.db2.gz PECVOTBIYCTZCZ-UHFFFAOYSA-N 1 0 367.482 2.410 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000363787380 555186074 /nfs/dbraw/zinc/18/60/74/555186074.db2.gz UTOVILJULZXAIN-FUHWJXTLSA-N 1 0 369.513 2.311 20 10 FECDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)cc1F ZINC000364112664 555251922 /nfs/dbraw/zinc/25/19/22/555251922.db2.gz VFEVULQNYZZPJC-HOTGVXAUSA-N 1 0 361.461 2.357 20 10 FECDRO CCn1ccnc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1=O ZINC000368464365 556317358 /nfs/dbraw/zinc/31/73/58/556317358.db2.gz ACBUEZYZINVFSK-HNNXBMFYSA-N 1 0 362.861 2.699 20 10 FECDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)cc1OC ZINC000371360204 557159933 /nfs/dbraw/zinc/15/99/33/557159933.db2.gz DILOBXLCUHFJBX-UHFFFAOYSA-N 1 0 359.426 2.132 20 10 FECDRO CCOc1ccc(O)c(C[N@H+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1 ZINC000372428947 557468230 /nfs/dbraw/zinc/46/82/30/557468230.db2.gz SNHOGUXQYPUGGG-IYBDPMFKSA-N 1 0 372.469 2.300 20 10 FECDRO COCc1nccc([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000372435550 557469762 /nfs/dbraw/zinc/46/97/62/557469762.db2.gz LIUWMXWEXUQGMN-CYBMUJFWSA-N 1 0 357.410 2.437 20 10 FECDRO CN(C(=O)[C@H]1CC12CC[NH+](Cc1cc3c(cc1O)OCO3)CC2)C1CC1 ZINC000374989349 557960103 /nfs/dbraw/zinc/96/01/03/557960103.db2.gz JKIQFRBNYRNOLF-OAHLLOKOSA-N 1 0 358.438 2.344 20 10 FECDRO CN(C)c1ccc(CNC(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)cc1F ZINC000376030913 558116633 /nfs/dbraw/zinc/11/66/33/558116633.db2.gz GDYKJXQBDHGYPV-UHFFFAOYSA-N 1 0 374.464 2.677 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377708714 558402304 /nfs/dbraw/zinc/40/23/04/558402304.db2.gz XQMYSFWIUKITSW-HOTGVXAUSA-N 1 0 364.442 2.270 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529353596 562370702 /nfs/dbraw/zinc/37/07/02/562370702.db2.gz XYLMKOVQPYWKAT-CYBMUJFWSA-N 1 0 354.248 2.239 20 10 FECDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000529360865 562370942 /nfs/dbraw/zinc/37/09/42/562370942.db2.gz UKZDQCPSVBLZSL-FUHWJXTLSA-N 1 0 359.470 2.367 20 10 FECDRO CCOc1cccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000821431120 599452068 /nfs/dbraw/zinc/45/20/68/599452068.db2.gz MXDNYYVLCNNMPG-UHFFFAOYSA-N 1 0 355.398 2.140 20 10 FECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1O ZINC000808694918 674468883 /nfs/dbraw/zinc/46/88/83/674468883.db2.gz CHJNURWWWOANFT-NVXWUHKLSA-N 1 0 367.921 2.411 20 10 FECDRO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(N2CCOCC2)cc1 ZINC000825965848 608506890 /nfs/dbraw/zinc/50/68/90/608506890.db2.gz GBYFINOKIUVWFS-UHFFFAOYSA-N 1 0 370.482 2.397 20 10 FECDRO CC[C@H](SC)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000125449835 672012067 /nfs/dbraw/zinc/01/20/67/672012067.db2.gz NZEWFFYJRORQPG-SFHVURJKSA-N 1 0 365.543 2.465 20 10 FECDRO C[C@H](NC(=S)NCCC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000140004917 672147602 /nfs/dbraw/zinc/14/76/02/672147602.db2.gz AEWJVRYEKHZAHN-HNNXBMFYSA-N 1 0 350.532 2.000 20 10 FECDRO Cc1cc(C(=O)NCCN2CC[NH2+]CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000237725637 672811551 /nfs/dbraw/zinc/81/15/51/672811551.db2.gz LVMQCDYNDHTXEM-UHFFFAOYSA-N 1 0 360.889 2.383 20 10 FECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000733324487 673410053 /nfs/dbraw/zinc/41/00/53/673410053.db2.gz DNLHOHQJZPXIKT-UHFFFAOYSA-N 1 0 365.474 2.432 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc2F)C[C@H](C)O1 ZINC000818967641 675247513 /nfs/dbraw/zinc/24/75/13/675247513.db2.gz XPPOXUVPWKPYOU-JRPNMDOOSA-N 1 0 350.356 2.452 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC000824832704 675624501 /nfs/dbraw/zinc/62/45/01/675624501.db2.gz ZJOMYYNJZVTUND-DGCLKSJQSA-N 1 0 358.360 2.243 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1Cl ZINC000825325162 675646502 /nfs/dbraw/zinc/64/65/02/675646502.db2.gz BQEOZUPRUYZJSD-SJCJKPOMSA-N 1 0 351.834 2.164 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H](S(C)(=O)=O)C3)C2)cc1 ZINC000826846318 675710161 /nfs/dbraw/zinc/71/01/61/675710161.db2.gz SQMMPRLOQIRQLZ-RLFYNMQTSA-N 1 0 352.500 2.219 20 10 FECDRO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H](O)C1CCC1 ZINC000827311286 675747247 /nfs/dbraw/zinc/74/72/47/675747247.db2.gz XYJOOEGVKZQGKJ-NVXWUHKLSA-N 1 0 352.862 2.287 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CC[NH+](C2CC2)CC1 ZINC000760980153 680706464 /nfs/dbraw/zinc/70/64/64/680706464.db2.gz MRCGETAZDMDHCD-UHFFFAOYSA-N 1 0 363.845 2.437 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C(C)(C)CS(C)(=O)=O)c1O ZINC000762785257 680761537 /nfs/dbraw/zinc/76/15/37/680761537.db2.gz FRAJBXKGLXECBG-UHFFFAOYSA-N 1 0 366.277 2.076 20 10 FECDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765732147 680853046 /nfs/dbraw/zinc/85/30/46/680853046.db2.gz GUCCTWXUWKRCNO-CVEARBPZSA-N 1 0 351.466 2.034 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000840936947 680854953 /nfs/dbraw/zinc/85/49/53/680854953.db2.gz OEHVDZVLQCUEKA-MRXNPFEDSA-N 1 0 356.392 2.334 20 10 FECDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(F)(F)F ZINC000765787276 680855160 /nfs/dbraw/zinc/85/51/60/680855160.db2.gz KJLMUVYUWKNXNX-DZGCQCFKSA-N 1 0 350.356 2.454 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN(C)c2ccc(Cl)cn2)cc1 ZINC000832300193 680121343 /nfs/dbraw/zinc/12/13/43/680121343.db2.gz OGFQWGRFZSJCHS-MRXNPFEDSA-N 1 0 361.877 2.053 20 10 FECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000835067794 680292916 /nfs/dbraw/zinc/29/29/16/680292916.db2.gz VOFQBLJQOYXNQI-ZDUSSCGKSA-N 1 0 352.431 2.126 20 10 FECDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000766186606 680869587 /nfs/dbraw/zinc/86/95/87/680869587.db2.gz YKRCHQLBATXLOI-ACJLOTCBSA-N 1 0 364.877 2.294 20 10 FECDRO C[C@H](C[NH3+])N(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782832 680912191 /nfs/dbraw/zinc/91/21/91/680912191.db2.gz SBTYVGFVIPFKCO-GFCCVEGCSA-N 1 0 356.417 2.245 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC1CC[NH2+]CC1 ZINC000841915438 680917226 /nfs/dbraw/zinc/91/72/26/680917226.db2.gz GMIYYBNTFYTHAJ-UHFFFAOYSA-N 1 0 356.264 2.438 20 10 FECDRO C[C@H](NC(=O)NCc1cc(Br)ccc1O)[C@H]1CCC[NH2+]C1 ZINC000841926369 680917629 /nfs/dbraw/zinc/91/76/29/680917629.db2.gz GPUXBFROPOLOAF-QWRGUYRKSA-N 1 0 356.264 2.342 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000841949131 680918606 /nfs/dbraw/zinc/91/86/06/680918606.db2.gz ZDFQJGQGQYJMPI-CYBMUJFWSA-N 1 0 356.264 2.424 20 10 FECDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768441341 680947040 /nfs/dbraw/zinc/94/70/40/680947040.db2.gz YOEYSUBLAIFAKV-GJZGRUSLSA-N 1 0 350.459 2.072 20 10 FECDRO O=C(Nc1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc1)C1=S=CC=C1 ZINC000842663765 680958308 /nfs/dbraw/zinc/95/83/08/680958308.db2.gz IYEFMNSRRXVYDZ-ZDUSSCGKSA-N 1 0 354.435 2.420 20 10 FECDRO COc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000842785089 680966334 /nfs/dbraw/zinc/96/63/34/680966334.db2.gz OOTVQLRSXDISQE-KRWDZBQOSA-N 1 0 363.483 2.048 20 10 FECDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843066319 680985568 /nfs/dbraw/zinc/98/55/68/680985568.db2.gz UTFKVVCISIFAKS-HXUWFJFHSA-N 1 0 350.503 2.018 20 10 FECDRO [NH3+]C[C@H]1C[N@H+](Cc2cccc(Br)c2[O-])CC12CCOCC2 ZINC000843124437 680989035 /nfs/dbraw/zinc/98/90/35/680989035.db2.gz AUMQYBZPUFHSCB-ZDUSSCGKSA-N 1 0 355.276 2.342 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3nccs3)CC2)cc1 ZINC000770105360 681005681 /nfs/dbraw/zinc/00/56/81/681005681.db2.gz QLRKKHYQODLWNN-UHFFFAOYSA-N 1 0 360.483 2.094 20 10 FECDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000772980119 681120960 /nfs/dbraw/zinc/12/09/60/681120960.db2.gz SXCKLXDLDXXQEB-CQSZACIVSA-N 1 0 357.495 2.406 20 10 FECDRO COc1cccc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1O ZINC000846145804 681189204 /nfs/dbraw/zinc/18/92/04/681189204.db2.gz QHZIYDLSKCKRKO-AWEZNQCLSA-N 1 0 364.467 2.171 20 10 FECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000846171134 681193458 /nfs/dbraw/zinc/19/34/58/681193458.db2.gz DGKGTOJAAJPNSJ-STQMWFEESA-N 1 0 363.435 2.286 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1O ZINC000846169451 681193635 /nfs/dbraw/zinc/19/36/35/681193635.db2.gz QUFCSCVTYXYVDS-CZUORRHYSA-N 1 0 351.443 2.467 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC(=O)NCc2cccs2)c1 ZINC000775370353 681301669 /nfs/dbraw/zinc/30/16/69/681301669.db2.gz LTFCQTOZRIJHRN-NSHDSACASA-N 1 0 363.439 2.139 20 10 FECDRO COc1cc(Br)cc([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)c1O ZINC000848524852 681571219 /nfs/dbraw/zinc/57/12/19/681571219.db2.gz XWMXCMJKXQDCES-WCQYABFASA-N 1 0 373.291 2.271 20 10 FECDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000778197181 681584878 /nfs/dbraw/zinc/58/48/78/681584878.db2.gz BKRYOLLIQROHQI-LBPRGKRZSA-N 1 0 350.415 2.468 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1F ZINC000848594749 681586570 /nfs/dbraw/zinc/58/65/70/681586570.db2.gz GWJCFNTYPVGGBH-ZDUSSCGKSA-N 1 0 350.360 2.361 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1F ZINC000848594747 681586632 /nfs/dbraw/zinc/58/66/32/681586632.db2.gz GWJCFNTYPVGGBH-CYBMUJFWSA-N 1 0 350.360 2.361 20 10 FECDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605801 681763654 /nfs/dbraw/zinc/76/36/54/681763654.db2.gz JXJAJWWGDZHYTB-HOTGVXAUSA-N 1 0 362.861 2.131 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000852795545 682344089 /nfs/dbraw/zinc/34/40/89/682344089.db2.gz ZIXLOEPQAQMNOR-UHFFFAOYSA-N 1 0 357.479 2.160 20 10 FECDRO COc1ccc(N2CC[C@@H](NC(=O)c3cc4c(s3)CC[NH2+]C4)C2)cc1 ZINC000852844147 682349439 /nfs/dbraw/zinc/34/94/39/682349439.db2.gz RAEPMNMOQLVJKD-CQSZACIVSA-N 1 0 357.479 2.411 20 10 FECDRO C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)c(F)cc1[O-] ZINC000854232698 682526916 /nfs/dbraw/zinc/52/69/16/682526916.db2.gz RZSRKFNKJUGBKB-SSDOTTSWSA-N 1 0 371.210 2.099 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3csc(=O)[nH]3)cc2F)CC1 ZINC000792148257 682791863 /nfs/dbraw/zinc/79/18/63/682791863.db2.gz NQEYNNPNVGSRKC-UHFFFAOYSA-N 1 0 364.446 2.060 20 10 FECDRO Cc1cc(Br)c([O-])c(C[NH2+]CCCN(C)CC[NH+](C)C)c1 ZINC000857784055 682913988 /nfs/dbraw/zinc/91/39/88/682913988.db2.gz OSEXLXPXSUYNRF-UHFFFAOYSA-N 1 0 358.324 2.436 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000858252866 682949740 /nfs/dbraw/zinc/94/97/40/682949740.db2.gz VSFZXWOKZKSVMF-IKSUFZCESA-N 1 0 351.516 2.216 20 10 FECDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c1O ZINC000799736396 683488989 /nfs/dbraw/zinc/48/89/89/683488989.db2.gz QCSSVTHUFMWBCY-UHFFFAOYSA-N 1 0 356.394 2.047 20 10 FECDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000862248526 683558618 /nfs/dbraw/zinc/55/86/18/683558618.db2.gz MAIAQJZICWQEKS-CYBMUJFWSA-N 1 0 355.276 2.309 20 10 FECDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000866579401 684122310 /nfs/dbraw/zinc/12/23/10/684122310.db2.gz UQRGWTDHEXWFLT-CYBMUJFWSA-N 1 0 364.467 2.202 20 10 FECDRO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000925797249 684587157 /nfs/dbraw/zinc/58/71/57/684587157.db2.gz MURRHPAETAPDJY-LPHOPBHVSA-N 1 0 365.543 2.104 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000873024253 685052808 /nfs/dbraw/zinc/05/28/08/685052808.db2.gz LYVXZWDQZXYLJX-WBVHZDCISA-N 1 0 352.500 2.141 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCS(=O)(=O)CC3)C2)cc1 ZINC000873132189 685078131 /nfs/dbraw/zinc/07/81/31/685078131.db2.gz KYOVIKWBSGKKNO-CVEARBPZSA-N 1 0 352.500 2.078 20 10 FECDRO CCSc1c[nH]c(=O)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000911666689 685241575 /nfs/dbraw/zinc/24/15/75/685241575.db2.gz KBBPAOPHYUSFTL-INIZCTEOSA-N 1 0 360.483 2.395 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@H](OC)C3CCOCC3)CC2)cc1F ZINC000876805531 686273099 /nfs/dbraw/zinc/27/30/99/686273099.db2.gz DGEHDFAJPYFMPN-IBGZPJMESA-N 1 0 352.450 2.398 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000876879116 686286065 /nfs/dbraw/zinc/28/60/65/686286065.db2.gz GZGXZCUNEUVCFX-UHFFFAOYSA-N 1 0 366.845 2.079 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000877030399 686314508 /nfs/dbraw/zinc/31/45/08/686314508.db2.gz FSODAYRABZOJGB-ZDUSSCGKSA-N 1 0 363.310 2.205 20 10 FECDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1O ZINC000877665156 686432500 /nfs/dbraw/zinc/43/25/00/686432500.db2.gz JSKNUOBVDYCYGD-AWEZNQCLSA-N 1 0 357.292 2.398 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)cc2)CC1 ZINC000881849272 687233675 /nfs/dbraw/zinc/23/36/75/687233675.db2.gz LYLSGLODPDPMSF-UHFFFAOYSA-N 1 0 360.439 2.338 20 10 FECDRO Cc1ncsc1CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853154 687234951 /nfs/dbraw/zinc/23/49/51/687234951.db2.gz LDOZTXAAEIURQM-UHFFFAOYSA-N 1 0 358.511 2.452 20 10 FECDRO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000883373947 687618062 /nfs/dbraw/zinc/61/80/62/687618062.db2.gz KKMNQKGBEVNATP-UMVBOHGHSA-N 1 0 372.918 2.403 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3C(F)(F)F)cc2)CC1 ZINC000889658733 688803739 /nfs/dbraw/zinc/80/37/39/688803739.db2.gz LVLACJBHERNPFP-HUUCEWRRSA-N 1 0 356.392 2.188 20 10 FECDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCS1 ZINC000889665060 688804200 /nfs/dbraw/zinc/80/42/00/688804200.db2.gz DVMKWDGULWAWDQ-MRXNPFEDSA-N 1 0 362.543 2.475 20 10 FECDRO CN(Cc1cscn1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889673331 688805216 /nfs/dbraw/zinc/80/52/16/688805216.db2.gz BKVWALBXMXLTGR-UHFFFAOYSA-N 1 0 359.499 2.237 20 10 FECDRO CSc1nccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245512 689039498 /nfs/dbraw/zinc/03/94/98/689039498.db2.gz FMZBQGRBWIDZEG-OAHLLOKOSA-N 1 0 359.499 2.297 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccnn2C(F)F)[NH+](C)C)cc1 ZINC000891245796 689039555 /nfs/dbraw/zinc/03/95/55/689039555.db2.gz JRFZGBNANMZIKT-OAHLLOKOSA-N 1 0 351.401 2.377 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)CCn2cc(Cl)cn2)[NH+](C)C)cc1 ZINC000891251273 689039990 /nfs/dbraw/zinc/03/99/90/689039990.db2.gz BKGNJQFOGVPGGP-QGZVFWFLSA-N 1 0 363.893 2.412 20 10 FECDRO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c(O)c1OC ZINC000894086896 689463663 /nfs/dbraw/zinc/46/36/63/689463663.db2.gz BWDCIJATJZUNGO-CQSZACIVSA-N 1 0 350.459 2.095 20 10 FECDRO COc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c(O)c1OC ZINC000894661288 689574472 /nfs/dbraw/zinc/57/44/72/689574472.db2.gz NUGNSGQNAKBANW-ZDUSSCGKSA-N 1 0 363.435 2.070 20 10 FECDRO CCS(=O)(=O)CCC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895010749 689639937 /nfs/dbraw/zinc/63/99/37/689639937.db2.gz BQDHMOSGVBMOJR-UHFFFAOYSA-N 1 0 370.446 2.018 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(COCCO)CC2)cc1F ZINC000895827759 689776762 /nfs/dbraw/zinc/77/67/62/689776762.db2.gz PMTZHTRPWOLHOC-UHFFFAOYSA-N 1 0 354.466 2.008 20 10 FECDRO CCOc1ccc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(O)c1 ZINC000898364883 690166558 /nfs/dbraw/zinc/16/65/58/690166558.db2.gz RUOLDMQOYVDJHA-GFCCVEGCSA-N 1 0 364.833 2.308 20 10 FECDRO CCC[C@@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899095967 690302846 /nfs/dbraw/zinc/30/28/46/690302846.db2.gz NYZDMFLAHDTLQO-QZTJIDSGSA-N 1 0 350.507 2.206 20 10 FECDRO C[C@@H](CCCCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098243 690303430 /nfs/dbraw/zinc/30/34/30/690303430.db2.gz MZUIQFOYDUGJBX-YJBOKZPZSA-N 1 0 350.507 2.206 20 10 FECDRO C[C@@H](CC(C)(C)O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099253 690303861 /nfs/dbraw/zinc/30/38/61/690303861.db2.gz XOVXKNQOFGINMA-WMLDXEAASA-N 1 0 350.507 2.204 20 10 FECDRO C[C@@H](CC(C)(C)O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099254 690303916 /nfs/dbraw/zinc/30/39/16/690303916.db2.gz XOVXKNQOFGINMA-YOEHRIQHSA-N 1 0 350.507 2.204 20 10 FECDRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000902524577 690774425 /nfs/dbraw/zinc/77/44/25/690774425.db2.gz RUNHQHFZRRRQCQ-LBPRGKRZSA-N 1 0 360.435 2.402 20 10 FECDRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000902523092 690774677 /nfs/dbraw/zinc/77/46/77/690774677.db2.gz IJCGUQHDAHNKFS-LBPRGKRZSA-N 1 0 364.467 2.128 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000359958865 210200954 /nfs/dbraw/zinc/20/09/54/210200954.db2.gz LDRDJUIODSUBNX-HOCLYGCPSA-N 1 0 353.894 2.103 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069913424 541722714 /nfs/dbraw/zinc/72/27/14/541722714.db2.gz OLVKMGSABDNLOM-SFHVURJKSA-N 1 0 360.502 2.006 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)CC(=O)NCC(F)(F)F)CC2)cc1 ZINC000072801199 541868662 /nfs/dbraw/zinc/86/86/62/541868662.db2.gz DCICHAUTCGVJOV-UHFFFAOYSA-N 1 0 359.392 2.274 20 10 FECDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000073821925 542003914 /nfs/dbraw/zinc/00/39/14/542003914.db2.gz ZCXPGYQSOFSZPU-IBGZPJMESA-N 1 0 374.529 2.397 20 10 FECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801507221 674132088 /nfs/dbraw/zinc/13/20/88/674132088.db2.gz BBVOLMANWRJHAR-KRWDZBQOSA-N 1 0 353.532 2.246 20 10 FECDRO COc1cccc(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1O ZINC000091921419 542832109 /nfs/dbraw/zinc/83/21/09/542832109.db2.gz HFMRODWMFJPXKU-HUUCEWRRSA-N 1 0 362.470 2.249 20 10 FECDRO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000129783715 544127029 /nfs/dbraw/zinc/12/70/29/544127029.db2.gz VBYBYUJPMYBBSF-UHFFFAOYSA-N 1 0 356.488 2.085 20 10 FECDRO O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H]([NH+]4CCCC4)CC3)cc2N1 ZINC000130851585 544168311 /nfs/dbraw/zinc/16/83/11/544168311.db2.gz JVBIOHWFAPCMNG-ZDUSSCGKSA-N 1 0 360.414 2.380 20 10 FECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000137256601 544387681 /nfs/dbraw/zinc/38/76/81/544387681.db2.gz SXPFKGZIQOCROP-QUCCMNQESA-N 1 0 372.513 2.149 20 10 FECDRO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155312592 545509921 /nfs/dbraw/zinc/50/99/21/545509921.db2.gz NQHUEKAWBTZBRP-INIZCTEOSA-N 1 0 365.493 2.424 20 10 FECDRO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000159004611 545913951 /nfs/dbraw/zinc/91/39/51/545913951.db2.gz VVHHGEYCBKSPJS-XLIONFOSSA-N 1 0 369.513 2.491 20 10 FECDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165488055 546153284 /nfs/dbraw/zinc/15/32/84/546153284.db2.gz NMXDDVCYUWAPER-OAHLLOKOSA-N 1 0 359.392 2.142 20 10 FECDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000166290231 546155691 /nfs/dbraw/zinc/15/56/91/546155691.db2.gz QJFLWBBDYUOLJI-ZDUSSCGKSA-N 1 0 353.413 2.373 20 10 FECDRO C[C@@H]([N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1(C)CC1 ZINC000177231138 546575810 /nfs/dbraw/zinc/57/58/10/546575810.db2.gz FMTNAFNKEDZWCP-OAHLLOKOSA-N 1 0 363.477 2.399 20 10 FECDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000180610086 547141085 /nfs/dbraw/zinc/14/10/85/547141085.db2.gz FNWBWJISKOLXRK-WBVHZDCISA-N 1 0 369.513 2.467 20 10 FECDRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000180608812 547141486 /nfs/dbraw/zinc/14/14/86/547141486.db2.gz WSHZNNDNOBCRPS-DOTOQJQBSA-N 1 0 355.486 2.343 20 10 FECDRO CN1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)([NH+]2CCCCC2)CC1 ZINC000181130212 547255637 /nfs/dbraw/zinc/25/56/37/547255637.db2.gz QSEQYMRXLQDXNW-SOFGYWHQSA-N 1 0 373.497 2.178 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cnns3)cc2F)CC1 ZINC000192368112 548362853 /nfs/dbraw/zinc/36/28/53/548362853.db2.gz WVRAFOIQIVVAEX-UHFFFAOYSA-N 1 0 364.450 2.141 20 10 FECDRO CCOC1CC(C[NH2+]Cc2cc(Cl)ccc2O)(N2CCOCC2)C1 ZINC000195459237 548643303 /nfs/dbraw/zinc/64/33/03/548643303.db2.gz GGCIQUOPVBPOGJ-UHFFFAOYSA-N 1 0 354.878 2.405 20 10 FECDRO COc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000237264219 548811880 /nfs/dbraw/zinc/81/18/80/548811880.db2.gz IHVLYILRLFRKGB-FQEVSTJZSA-N 1 0 353.466 2.304 20 10 FECDRO CCOc1cccc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c1O ZINC000263722449 549925927 /nfs/dbraw/zinc/92/59/27/549925927.db2.gz WNNFZEKOIBGHGU-HNNXBMFYSA-N 1 0 359.348 2.064 20 10 FECDRO Oc1cc2c(cc1C[NH2+]Cc1ccnc(OC3CCOCC3)c1)OCO2 ZINC000264936435 550004043 /nfs/dbraw/zinc/00/40/43/550004043.db2.gz DFYVMSRUTMNVJT-UHFFFAOYSA-N 1 0 358.394 2.364 20 10 FECDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197467 550037652 /nfs/dbraw/zinc/03/76/52/550037652.db2.gz NZHXABINNPQSBF-HWZIQRBVSA-N 1 0 355.482 2.135 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1F ZINC000271820527 550404436 /nfs/dbraw/zinc/40/44/36/550404436.db2.gz CDRJEXREEFQYIS-UHFFFAOYSA-N 1 0 362.449 2.282 20 10 FECDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282505 550434075 /nfs/dbraw/zinc/43/40/75/550434075.db2.gz BVIPNULNLYHMSI-ICSRJNTNSA-N 1 0 372.513 2.149 20 10 FECDRO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000272491612 550453060 /nfs/dbraw/zinc/45/30/60/550453060.db2.gz TZSDRMWPNFNORZ-SWLSCSKDSA-N 1 0 373.469 2.453 20 10 FECDRO O=C1NC(=O)C2(CC[NH+](Cc3cc(-c4ccccc4)ccc3O)CC2)N1 ZINC000272872176 550474487 /nfs/dbraw/zinc/47/44/87/550474487.db2.gz WLXUMVWQDCGYNY-UHFFFAOYSA-N 1 0 351.406 2.233 20 10 FECDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c(O)c1C ZINC000273501049 550500525 /nfs/dbraw/zinc/50/05/25/550500525.db2.gz QEHLTPVEPJORQY-JKSUJKDBSA-N 1 0 370.515 2.148 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)c1 ZINC000273572527 550503648 /nfs/dbraw/zinc/50/36/48/550503648.db2.gz KYPULMVLPLXFFI-GFCCVEGCSA-N 1 0 360.410 2.124 20 10 FECDRO COc1cccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1O ZINC000276965011 550616374 /nfs/dbraw/zinc/61/63/74/550616374.db2.gz QKAKHBYYRUIXQA-UHFFFAOYSA-N 1 0 356.488 2.083 20 10 FECDRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000277360571 550660848 /nfs/dbraw/zinc/66/08/48/550660848.db2.gz IICUNUFGAMVETI-OAHLLOKOSA-N 1 0 366.481 2.192 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NCC(F)F)c1O ZINC000280830524 551036904 /nfs/dbraw/zinc/03/69/04/551036904.db2.gz KZMPHPHEYMJJHF-MRVPVSSYSA-N 1 0 351.191 2.495 20 10 FECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000282326308 551212140 /nfs/dbraw/zinc/21/21/40/551212140.db2.gz ALFCGLQHSZKNLS-RDJZCZTQSA-N 1 0 361.486 2.107 20 10 FECDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000290030608 552416649 /nfs/dbraw/zinc/41/66/49/552416649.db2.gz CUYUKZILHXGPIH-CQSZACIVSA-N 1 0 357.495 2.358 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000290247755 552448260 /nfs/dbraw/zinc/44/82/60/552448260.db2.gz RBJUDALOHBPZAM-UHFFFAOYSA-N 1 0 373.497 2.121 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1O ZINC000290649823 552512794 /nfs/dbraw/zinc/51/27/94/552512794.db2.gz ZASWMVZWTUNSES-LLVKDONJSA-N 1 0 362.289 2.378 20 10 FECDRO Cc1cc(O)c(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000292459816 552728948 /nfs/dbraw/zinc/72/89/48/552728948.db2.gz OXRUKAQIIBSCHY-UHFFFAOYSA-N 1 0 364.467 2.167 20 10 FECDRO C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000297364110 553283391 /nfs/dbraw/zinc/28/33/91/553283391.db2.gz LUWKONOGALXPFS-QGZVFWFLSA-N 1 0 372.513 2.149 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3ncnc4n[nH]cc43)cc2F)CC1 ZINC000301209259 553631039 /nfs/dbraw/zinc/63/10/39/553631039.db2.gz VMKMBQWPWPFRHR-UHFFFAOYSA-N 1 0 355.421 2.246 20 10 FECDRO Cn1nncc1C[NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000360021384 554859725 /nfs/dbraw/zinc/85/97/25/554859725.db2.gz NQLPUNQYLXQOCN-GFCCVEGCSA-N 1 0 355.364 2.330 20 10 FECDRO CN(C)c1ccc(CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000365146737 555494957 /nfs/dbraw/zinc/49/49/57/555494957.db2.gz OIQCGUVYWVDTGY-PMACEKPBSA-N 1 0 372.513 2.290 20 10 FECDRO COc1ccc(N2CCC(N(C)C(=O)COC[C@@H]3CCOC3)CC2)cc1 ZINC000365344128 555548935 /nfs/dbraw/zinc/54/89/35/555548935.db2.gz MASQJBNYRCFSAC-MRXNPFEDSA-N 1 0 362.470 2.176 20 10 FECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000515653166 562018557 /nfs/dbraw/zinc/01/85/57/562018557.db2.gz WRHWZEFPPGKMNG-GOSISDBHSA-N 1 0 359.470 2.121 20 10 FECDRO Cc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000369407234 556593985 /nfs/dbraw/zinc/59/39/85/556593985.db2.gz FWPWVBNHENOADK-YOEHRIQHSA-N 1 0 355.486 2.213 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000369423513 556597311 /nfs/dbraw/zinc/59/73/11/556597311.db2.gz GJIDAJFVKWTTPZ-KXBFYZLASA-N 1 0 371.485 2.350 20 10 FECDRO COC(=O)[C@]12C[N@H+](Cc3cc(Cl)cc(OC)c3O)C[C@H]1COCC2 ZINC000369542483 556626645 /nfs/dbraw/zinc/62/66/45/556626645.db2.gz UJCCVODJBFFREN-YVEFUNNKSA-N 1 0 355.818 2.066 20 10 FECDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2c(O)ccc3ccccc32)C1=O ZINC000371083929 557070101 /nfs/dbraw/zinc/07/01/01/557070101.db2.gz FEGKHRUFGMPULD-XOBRGWDASA-N 1 0 353.422 2.356 20 10 FECDRO CC(C)c1nc(CN2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000371382321 557168473 /nfs/dbraw/zinc/16/84/73/557168473.db2.gz IRBUIYUGEDLKOP-UHFFFAOYSA-N 1 0 374.441 2.335 20 10 FECDRO CN(C)c1ccc(CNC(=O)NCc2ccnc(-n3ccnc3)c2)cc1F ZINC000371501595 557201708 /nfs/dbraw/zinc/20/17/08/557201708.db2.gz GLEIVBWFVQEHPW-UHFFFAOYSA-N 1 0 368.416 2.472 20 10 FECDRO COc1cc(O)c(C[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)cc1OC ZINC000374325796 557865950 /nfs/dbraw/zinc/86/59/50/557865950.db2.gz CMKDJAMDWDFDIE-OAHLLOKOSA-N 1 0 372.421 2.139 20 10 FECDRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000375751521 558076853 /nfs/dbraw/zinc/07/68/53/558076853.db2.gz SWSPENUYMIMIMN-ZDUSSCGKSA-N 1 0 352.481 2.254 20 10 FECDRO C[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1C[NH2+]C1 ZINC000375912991 558098453 /nfs/dbraw/zinc/09/84/53/558098453.db2.gz FSSAYVZSEPYRJI-LBPRGKRZSA-N 1 0 353.413 2.229 20 10 FECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000377640202 558383842 /nfs/dbraw/zinc/38/38/42/558383842.db2.gz MGTROLREPILNPH-HNNXBMFYSA-N 1 0 355.438 2.258 20 10 FECDRO CN1CC[NH+](C2(CNC(=O)Cc3ccc(N)cc3)CCCCCC2)CC1 ZINC000378200432 558501052 /nfs/dbraw/zinc/50/10/52/558501052.db2.gz CZSPMRVRFMHPSO-UHFFFAOYSA-N 1 0 358.530 2.268 20 10 FECDRO CCc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000378343183 558534349 /nfs/dbraw/zinc/53/43/49/558534349.db2.gz RQNNHKDATVASDQ-CQSZACIVSA-N 1 0 374.441 2.163 20 10 FECDRO CCN(C)C(=O)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444283887 560108165 /nfs/dbraw/zinc/10/81/65/560108165.db2.gz SCLVQFIPJPNGDY-UHFFFAOYSA-N 1 0 370.497 2.002 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1O ZINC000528642829 562339936 /nfs/dbraw/zinc/33/99/36/562339936.db2.gz WSSUKEWFMAIBRE-INIZCTEOSA-N 1 0 351.418 2.487 20 10 FECDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000806855670 674392994 /nfs/dbraw/zinc/39/29/94/674392994.db2.gz UZYAQVHQDFIAQO-ZDUSSCGKSA-N 1 0 356.264 2.438 20 10 FECDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000809785600 674509877 /nfs/dbraw/zinc/50/98/77/674509877.db2.gz ZTNXDPLCXTUQGG-LBPRGKRZSA-N 1 0 361.305 2.420 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)CSC)c1O ZINC000120625290 671931092 /nfs/dbraw/zinc/93/10/92/671931092.db2.gz CNSSHHMVFBKVEL-CYBMUJFWSA-N 1 0 350.278 2.367 20 10 FECDRO CCC[C@@](C)(O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000125402059 672011126 /nfs/dbraw/zinc/01/11/26/672011126.db2.gz CHFLUAASNIMHKX-LJQANCHMSA-N 1 0 351.466 2.135 20 10 FECDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc3c(c2)CCO3)c(C)s1 ZINC000158383109 672269005 /nfs/dbraw/zinc/26/90/05/672269005.db2.gz BLTSPZOHIBOEEU-UHFFFAOYSA-N 1 0 366.508 2.368 20 10 FECDRO Cc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c(O)c1O ZINC000179428149 672401910 /nfs/dbraw/zinc/40/19/10/672401910.db2.gz GIZZEVQJDAOYBC-UHFFFAOYSA-N 1 0 350.484 2.498 20 10 FECDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000733325549 673410008 /nfs/dbraw/zinc/41/00/08/673410008.db2.gz JIYWKXJUSCKUQS-UHFFFAOYSA-N 1 0 365.474 2.268 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C[C@H](O)C[NH+]1CCCC1 ZINC000743870952 673774488 /nfs/dbraw/zinc/77/44/88/673774488.db2.gz JCCKGYTWKUUWLW-HNNXBMFYSA-N 1 0 357.292 2.433 20 10 FECDRO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818965475 675247340 /nfs/dbraw/zinc/24/73/40/675247340.db2.gz ASXKTVUXDGXBGZ-HLLBOEOZSA-N 1 0 354.466 2.315 20 10 FECDRO CCOc1ccc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000824563760 675610545 /nfs/dbraw/zinc/61/05/45/675610545.db2.gz BZRRBWRXYZKLHG-AWEZNQCLSA-N 1 0 354.447 2.108 20 10 FECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824828177 675623918 /nfs/dbraw/zinc/62/39/18/675623918.db2.gz LUJXAVSJZPLHQJ-NWDGAFQWSA-N 1 0 358.360 2.243 20 10 FECDRO [NH3+]C1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC1 ZINC000827260289 675743954 /nfs/dbraw/zinc/74/39/54/675743954.db2.gz POIAMCXFCXAXBR-UHFFFAOYSA-N 1 0 357.376 2.040 20 10 FECDRO Oc1cc(Br)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827698650 675773493 /nfs/dbraw/zinc/77/34/93/675773493.db2.gz ADTMYXPUBVOMRF-OAHLLOKOSA-N 1 0 355.276 2.186 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)C2(CO)CCOCC2)c1O ZINC000827907510 675786130 /nfs/dbraw/zinc/78/61/30/675786130.db2.gz AJCPYFCLCLLBRR-UHFFFAOYSA-N 1 0 360.248 2.137 20 10 FECDRO CC1(C)C[NH2+][C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358418 675815201 /nfs/dbraw/zinc/81/52/01/675815201.db2.gz KXQJHAUAIDTVBR-HNNXBMFYSA-N 1 0 353.413 2.371 20 10 FECDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCCSc1nccs1 ZINC000829528639 675881852 /nfs/dbraw/zinc/88/18/52/675881852.db2.gz UXTGMMUJMHZBPN-HSMVNMDESA-N 1 0 355.529 2.274 20 10 FECDRO C[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)[N@H+](C)C1CC1 ZINC000761230696 680715731 /nfs/dbraw/zinc/71/57/31/680715731.db2.gz VTVASFPQHDPKAZ-LLVKDONJSA-N 1 0 351.834 2.293 20 10 FECDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(OCC)ccc2O)c1 ZINC000839148324 680741713 /nfs/dbraw/zinc/74/17/13/680741713.db2.gz YSBVQQHHFCOTBD-UHFFFAOYSA-N 1 0 364.467 2.379 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCSC3)cc2F)CC1 ZINC000762179440 680743754 /nfs/dbraw/zinc/74/37/54/680743754.db2.gz QHWPFCQLPZZFKU-OAHLLOKOSA-N 1 0 351.491 2.337 20 10 FECDRO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000763996642 680797533 /nfs/dbraw/zinc/79/75/33/680797533.db2.gz FNVCRLIMAFCSFX-QAPCUYQASA-N 1 0 363.527 2.138 20 10 FECDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(Cl)c1 ZINC000840910006 680852165 /nfs/dbraw/zinc/85/21/65/680852165.db2.gz OJHFCSLVEKFPBQ-UHFFFAOYSA-N 1 0 352.862 2.425 20 10 FECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(F)(F)F ZINC000765787278 680855190 /nfs/dbraw/zinc/85/51/90/680855190.db2.gz KJLMUVYUWKNXNX-UKRRQHHQSA-N 1 0 350.356 2.454 20 10 FECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000840975814 680858219 /nfs/dbraw/zinc/85/82/19/680858219.db2.gz AMNZBIGMIZEWPM-LLVKDONJSA-N 1 0 360.273 2.493 20 10 FECDRO COC[C@]1(CNCc2cc(Br)cc(OC)c2O)CCC[NH2+]1 ZINC000841067280 680861683 /nfs/dbraw/zinc/86/16/83/680861683.db2.gz MQRLNMPIJPRHSL-OAHLLOKOSA-N 1 0 359.264 2.022 20 10 FECDRO Cc1cc(Br)cc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c1O ZINC000874050019 685279963 /nfs/dbraw/zinc/27/99/63/685279963.db2.gz NRJWLYIOMVSXEL-UHFFFAOYSA-N 1 0 357.248 2.102 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1O ZINC000750819622 680134567 /nfs/dbraw/zinc/13/45/67/680134567.db2.gz DCQIBOAAHDBLEF-KRWDZBQOSA-N 1 0 350.434 2.421 20 10 FECDRO CN(CC[NH2+][C@H]1CCc2cccc(O)c21)S(=O)(=O)c1ccc(F)cc1 ZINC000834790730 680268035 /nfs/dbraw/zinc/26/80/35/680268035.db2.gz VIMIKDABRVWDLJ-INIZCTEOSA-N 1 0 364.442 2.429 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000835052835 680291448 /nfs/dbraw/zinc/29/14/48/680291448.db2.gz HWNRFORQZZHOOI-IPLHWJFFSA-N 1 0 351.516 2.170 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835073585 680293312 /nfs/dbraw/zinc/29/33/12/680293312.db2.gz NMIGKQSAMPDVDG-QWHCGFSZSA-N 1 0 369.259 2.406 20 10 FECDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)ccc1N1CCCCC1 ZINC000754889461 680386930 /nfs/dbraw/zinc/38/69/30/680386930.db2.gz JOJSUGZAGAQPFC-HNNXBMFYSA-N 1 0 367.471 2.252 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](C)COC)cc2F)CC1 ZINC000755293264 680408906 /nfs/dbraw/zinc/40/89/06/680408906.db2.gz KNOLQDVJHFGQJG-OAHLLOKOSA-N 1 0 351.466 2.256 20 10 FECDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000756562000 680485712 /nfs/dbraw/zinc/48/57/12/680485712.db2.gz DKWNTOCYXCDRDR-IUODEOHRSA-N 1 0 370.490 2.178 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)cc1F ZINC000767184139 680901974 /nfs/dbraw/zinc/90/19/74/680901974.db2.gz OEAFUTKZTBYBNU-OAHLLOKOSA-N 1 0 351.466 2.256 20 10 FECDRO [NH3+]C/C=C/CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843385 680914325 /nfs/dbraw/zinc/91/43/25/680914325.db2.gz GIUHBCJBUDJIHS-ZIYVKSGCSA-N 1 0 354.401 2.071 20 10 FECDRO C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843890 680914528 /nfs/dbraw/zinc/91/45/28/680914528.db2.gz ODQQNYJNTVDUKZ-QWHCGFSZSA-N 1 0 356.417 2.245 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000842016226 680922216 /nfs/dbraw/zinc/92/22/16/680922216.db2.gz TUXGFTOXADDHMK-JTNHKYCSSA-N 1 0 368.275 2.342 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)Cc2ccccc2F)cc1 ZINC000842785100 680966338 /nfs/dbraw/zinc/96/63/38/680966338.db2.gz OTJOWLHBGXDXKA-QGZVFWFLSA-N 1 0 351.447 2.011 20 10 FECDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000842785864 680966468 /nfs/dbraw/zinc/96/64/68/680966468.db2.gz RJMVKIIDYKHXSI-OAHLLOKOSA-N 1 0 353.513 2.409 20 10 FECDRO COc1cccc(O)c1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000769111950 680971268 /nfs/dbraw/zinc/97/12/68/680971268.db2.gz UOESUXAKKHPEEK-UHFFFAOYSA-N 1 0 362.392 2.487 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@@H]2c2nccn2C)c1 ZINC000843122013 680988866 /nfs/dbraw/zinc/98/88/66/680988866.db2.gz NCCHSRRXZBCMAI-CQSZACIVSA-N 1 0 365.275 2.343 20 10 FECDRO C[C@@H]([NH3+])CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000843474685 681005791 /nfs/dbraw/zinc/00/57/91/681005791.db2.gz VIXDFBOSYJIIHP-BKLZJWBFSA-N 1 0 369.537 2.193 20 10 FECDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)ccc2O)CCCOC1 ZINC000770678342 681023499 /nfs/dbraw/zinc/02/34/99/681023499.db2.gz ZTMCRPMYASOXPK-HNNXBMFYSA-N 1 0 358.232 2.357 20 10 FECDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000844173683 681043001 /nfs/dbraw/zinc/04/30/01/681043001.db2.gz QISZOPJTOPBLSO-UHFFFAOYSA-N 1 0 351.466 2.168 20 10 FECDRO CC(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[NH+]1CCN(C)CC1 ZINC000844869672 681088956 /nfs/dbraw/zinc/08/89/56/681088956.db2.gz ULYJHTNCBTXWNX-INIZCTEOSA-N 1 0 368.909 2.117 20 10 FECDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845012965 681098694 /nfs/dbraw/zinc/09/86/94/681098694.db2.gz RYUPMLYLQUVDQT-CQSZACIVSA-N 1 0 368.909 2.118 20 10 FECDRO C[C@H]1C[N@H+](CCCNC(=O)NCc2cc(Cl)ccc2O)CCCO1 ZINC000845154432 681107534 /nfs/dbraw/zinc/10/75/34/681107534.db2.gz XSCPBCRUZXPGFE-ZDUSSCGKSA-N 1 0 355.866 2.346 20 10 FECDRO COc1ccc(N2CCC([NH2+]CCC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000773145693 681127526 /nfs/dbraw/zinc/12/75/26/681127526.db2.gz MILSFPLNAIOVGV-UHFFFAOYSA-N 1 0 366.527 2.469 20 10 FECDRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846059181 681177737 /nfs/dbraw/zinc/17/77/37/681177737.db2.gz ZXLWQBANKSJJMV-UHFFFAOYSA-N 1 0 350.850 2.214 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000846182204 681196815 /nfs/dbraw/zinc/19/68/15/681196815.db2.gz AIMYHOCSTGJFFM-RDJZCZTQSA-N 1 0 351.516 2.361 20 10 FECDRO CC[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000775506530 681311649 /nfs/dbraw/zinc/31/16/49/681311649.db2.gz AKIIADXXDPLIIY-FUHWJXTLSA-N 1 0 367.921 2.493 20 10 FECDRO CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(Cl)ccc1O ZINC000775512099 681312139 /nfs/dbraw/zinc/31/21/39/681312139.db2.gz LYXJCTZBLFJRSA-CQSZACIVSA-N 1 0 373.862 2.194 20 10 FECDRO NC(=O)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccccc1Cl ZINC000776935399 681449610 /nfs/dbraw/zinc/44/96/10/681449610.db2.gz BXMIABLGWYNLEB-ZDUSSCGKSA-N 1 0 362.813 2.208 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1O ZINC000848553281 681576907 /nfs/dbraw/zinc/57/69/07/681576907.db2.gz SIFHXVWKRRZZNA-WCABBAIRSA-N 1 0 357.248 2.468 20 10 FECDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850313676 681882906 /nfs/dbraw/zinc/88/29/06/681882906.db2.gz GPHDOAYRINTRFO-CYBMUJFWSA-N 1 0 358.504 2.116 20 10 FECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850313678 681883180 /nfs/dbraw/zinc/88/31/80/681883180.db2.gz GPHDOAYRINTRFO-ZDUSSCGKSA-N 1 0 358.504 2.116 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)c1O ZINC000850344066 681888331 /nfs/dbraw/zinc/88/83/31/681888331.db2.gz ATDQFIYQZAUEQD-IINYFYTJSA-N 1 0 360.248 2.304 20 10 FECDRO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000850353591 681890257 /nfs/dbraw/zinc/89/02/57/681890257.db2.gz ICODBCABHFRPOB-LBPRGKRZSA-N 1 0 358.870 2.315 20 10 FECDRO CCS(=O)(=O)C1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000850398157 681897600 /nfs/dbraw/zinc/89/76/00/681897600.db2.gz PWIROFDZVHESAD-UHFFFAOYSA-N 1 0 352.500 2.221 20 10 FECDRO COc1ccc(N2CCN(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1F ZINC000851808092 682142190 /nfs/dbraw/zinc/14/21/90/682142190.db2.gz KYZAFXIHVGFEEE-HOTGVXAUSA-N 1 0 351.466 2.066 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1O ZINC000783508615 682148272 /nfs/dbraw/zinc/14/82/72/682148272.db2.gz FVTCKNVLHPVXCI-OAHLLOKOSA-N 1 0 360.479 2.478 20 10 FECDRO CC(C)[NH+]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000916624816 685526321 /nfs/dbraw/zinc/52/63/21/685526321.db2.gz RSJMRDUSDBTBCP-UHFFFAOYSA-N 1 0 362.543 2.475 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](CCF)C1)cc2=O ZINC000852533008 682297023 /nfs/dbraw/zinc/29/70/23/682297023.db2.gz ONDIPBZZIOYPFE-LBPRGKRZSA-N 1 0 350.394 2.183 20 10 FECDRO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1O ZINC000789764520 682629541 /nfs/dbraw/zinc/62/95/41/682629541.db2.gz YJJGHCVYPCQDKQ-LBPRGKRZSA-N 1 0 373.291 2.316 20 10 FECDRO CCOCCOC[C@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000790761240 682700003 /nfs/dbraw/zinc/70/00/03/682700003.db2.gz UCFZXFOKGNXKSM-DGCLKSJQSA-N 1 0 362.264 2.219 20 10 FECDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000795834798 683096353 /nfs/dbraw/zinc/09/63/53/683096353.db2.gz WMHPKDYJAVTQJU-HRCADAONSA-N 1 0 368.905 2.472 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1F ZINC000796482106 683165053 /nfs/dbraw/zinc/16/50/53/683165053.db2.gz JGNVGTVOOHKVSJ-HOCLYGCPSA-N 1 0 357.495 2.089 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(Br)cc1O ZINC000927147523 683212286 /nfs/dbraw/zinc/21/22/86/683212286.db2.gz SNTOYHBLKLIDJR-KOLCDFICSA-N 1 0 351.248 2.491 20 10 FECDRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)cc1C ZINC000799345433 683447128 /nfs/dbraw/zinc/44/71/28/683447128.db2.gz BMKMYOZDRIMKOU-UHFFFAOYSA-N 1 0 370.421 2.350 20 10 FECDRO OC1CCN(c2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2F)CC1 ZINC000921586492 683511612 /nfs/dbraw/zinc/51/16/12/683511612.db2.gz MFLSCZMSVJPZOU-UHFFFAOYSA-N 1 0 350.413 2.243 20 10 FECDRO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921799254 683578292 /nfs/dbraw/zinc/57/82/92/683578292.db2.gz FTZAPPDCIKWIGJ-DOTOQJQBSA-N 1 0 352.500 2.161 20 10 FECDRO C[NH+]1CCC2(CC1)CN(Cc1c(O)cccc1Br)CCO2 ZINC000862399992 683584165 /nfs/dbraw/zinc/58/41/65/683584165.db2.gz JTDCVGCXMPHDGZ-UHFFFAOYSA-N 1 0 355.276 2.451 20 10 FECDRO Oc1cc2c(cc1C[NH2+]CC1(n3cc(Br)cn3)CC1)OCO2 ZINC000922803375 683786405 /nfs/dbraw/zinc/78/64/05/683786405.db2.gz WGTYBINGSZGOMP-UHFFFAOYSA-N 1 0 366.215 2.359 20 10 FECDRO CCC[N@@H+]1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925352325 684552524 /nfs/dbraw/zinc/55/25/24/684552524.db2.gz JUUCZXKGKVFATB-CQSZACIVSA-N 1 0 351.834 2.294 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)CC(C)(C)O)cc2F)C[C@H](C)O1 ZINC000872201102 684926894 /nfs/dbraw/zinc/92/68/94/684926894.db2.gz OCQJRBLQMCCZQE-LZWOXQAQSA-N 1 0 354.466 2.051 20 10 FECDRO O=C1C[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCN1 ZINC000877033892 686315257 /nfs/dbraw/zinc/31/52/57/686315257.db2.gz QWRFWEPVQFDTHV-CVEARBPZSA-N 1 0 351.878 2.268 20 10 FECDRO Cc1cccc(O)c1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000877135912 686330673 /nfs/dbraw/zinc/33/06/73/686330673.db2.gz QMJZZBFGKGQQIK-UHFFFAOYSA-N 1 0 350.440 2.241 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@@H](O)CCOC(C)C)CC2)c(OC)c1 ZINC000879462233 686826893 /nfs/dbraw/zinc/82/68/93/686826893.db2.gz LQGICFWURZXHCG-INIZCTEOSA-N 1 0 352.475 2.002 20 10 FECDRO CSCC[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883432562 687628390 /nfs/dbraw/zinc/62/83/90/687628390.db2.gz UYDMARWLNAFJIZ-OAHLLOKOSA-N 1 0 350.532 2.379 20 10 FECDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000885891543 688179675 /nfs/dbraw/zinc/17/96/75/688179675.db2.gz WKPJHRDRDOMXTC-CYBMUJFWSA-N 1 0 362.451 2.296 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3(C)CC(F)(F)C3)cc2)CC1 ZINC000889658878 688803835 /nfs/dbraw/zinc/80/38/35/688803835.db2.gz MPFHZNRPWHLVJX-UHFFFAOYSA-N 1 0 352.429 2.425 20 10 FECDRO CSCCCN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665054 688804253 /nfs/dbraw/zinc/80/42/53/688804253.db2.gz DUJXRGALTFQTQU-UHFFFAOYSA-N 1 0 350.532 2.333 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)CCOCC(F)(F)F)[NH+](C)C)cc1 ZINC000891256292 689040754 /nfs/dbraw/zinc/04/07/54/689040754.db2.gz XCVYZFLJZSTZTG-HNNXBMFYSA-N 1 0 361.408 2.441 20 10 FECDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894202013 689485483 /nfs/dbraw/zinc/48/54/83/689485483.db2.gz BBHBNJCVOHYOPN-ZDUSSCGKSA-N 1 0 364.467 2.468 20 10 FECDRO COc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c(O)c1OC ZINC000894669497 689575652 /nfs/dbraw/zinc/57/56/52/689575652.db2.gz UFOSURIPUVBVKJ-UHFFFAOYSA-N 1 0 357.472 2.102 20 10 FECDRO COC[C@H](CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC)OC ZINC000895229122 689680326 /nfs/dbraw/zinc/68/03/26/689680326.db2.gz RQCAMKGWVLVQMN-ZDUSSCGKSA-N 1 0 352.406 2.245 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1OC ZINC000897002643 689961310 /nfs/dbraw/zinc/96/13/10/689961310.db2.gz WIULSZNPDVMHPV-LBPRGKRZSA-N 1 0 354.403 2.050 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1OC ZINC000897176231 689984986 /nfs/dbraw/zinc/98/49/86/689984986.db2.gz QEQGDFMATHCAII-OAHLLOKOSA-N 1 0 351.443 2.163 20 10 FECDRO COc1cc(C)cc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1O ZINC000898399334 690175590 /nfs/dbraw/zinc/17/55/90/690175590.db2.gz ATUHRLYLGZFCQU-VWLOTQADSA-N 1 0 369.531 2.496 20 10 FECDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCS(=O)(=O)CC1 ZINC000898449491 690185824 /nfs/dbraw/zinc/18/58/24/690185824.db2.gz GQWBOJWXAGCZOQ-HNAYVOBHSA-N 1 0 367.559 2.158 20 10 FECDRO CO[C@]1(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CCS(=O)(=O)C1 ZINC000903365391 690886846 /nfs/dbraw/zinc/88/68/46/690886846.db2.gz MUQQKWBYUSLSQJ-UGSOOPFHSA-N 1 0 353.484 2.125 20 10 FECDRO CCOCc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1OC ZINC000800310193 674040978 /nfs/dbraw/zinc/04/09/78/674040978.db2.gz YAKWTDWCXJKKLU-RDJZCZTQSA-N 1 0 370.515 2.039 20 10 FECDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000066186833 541287587 /nfs/dbraw/zinc/28/75/87/541287587.db2.gz HRJBNKLRWWLJTF-HNNXBMFYSA-N 1 0 366.481 2.192 20 10 FECDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000083189687 542693699 /nfs/dbraw/zinc/69/36/99/542693699.db2.gz QQDIPOXIFFJOFF-UHFFFAOYSA-N 1 0 372.513 2.293 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089682339 542769347 /nfs/dbraw/zinc/76/93/47/542769347.db2.gz ZZDLUKFFDHLQLP-MAUKXSAKSA-N 1 0 363.477 2.176 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000090916988 542789151 /nfs/dbraw/zinc/78/91/51/542789151.db2.gz IGOZPSNINZDUFR-WMQCIHAUSA-N 1 0 359.514 2.427 20 10 FECDRO C[C@@H](Nc1cc(-n2cccn2)nc(N)[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000092892036 542894388 /nfs/dbraw/zinc/89/43/88/542894388.db2.gz PKBOMGCUQKFXKW-CQSZACIVSA-N 1 0 365.441 2.254 20 10 FECDRO C[NH+]1CCC(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000103309792 543102614 /nfs/dbraw/zinc/10/26/14/543102614.db2.gz QRZDNCHUDNXEIN-UHFFFAOYSA-N 1 0 360.502 2.054 20 10 FECDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000113229714 543478550 /nfs/dbraw/zinc/47/85/50/543478550.db2.gz VADBEIADBONWNZ-JMPQJKKYSA-N 1 0 355.482 2.232 20 10 FECDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000115439777 543567688 /nfs/dbraw/zinc/56/76/88/543567688.db2.gz GLXNOYBSCNTHSZ-QPGLYAHGSA-N 1 0 357.498 2.337 20 10 FECDRO C[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000805187850 674324987 /nfs/dbraw/zinc/32/49/87/674324987.db2.gz YFNVQBWWTVXBHF-GXFFZTMASA-N 1 0 356.264 2.437 20 10 FECDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000158456119 545861912 /nfs/dbraw/zinc/86/19/12/545861912.db2.gz UAHSRAQSAIAIER-LJQANCHMSA-N 1 0 374.529 2.300 20 10 FECDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000162405111 546139220 /nfs/dbraw/zinc/13/92/20/546139220.db2.gz DXWRHRLVXCOHTP-CRAIPNDOSA-N 1 0 363.477 2.447 20 10 FECDRO COCCC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000171203502 546196251 /nfs/dbraw/zinc/19/62/51/546196251.db2.gz PIUDUGKQIVOBKQ-UHFFFAOYSA-N 1 0 366.481 2.192 20 10 FECDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000180595692 547139489 /nfs/dbraw/zinc/13/94/89/547139489.db2.gz DPFFCQDUAXPZHQ-FNORWQNLSA-N 1 0 360.454 2.262 20 10 FECDRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000180610034 547141427 /nfs/dbraw/zinc/14/14/27/547141427.db2.gz FNWBWJISKOLXRK-DOTOQJQBSA-N 1 0 369.513 2.467 20 10 FECDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000181011046 547229975 /nfs/dbraw/zinc/22/99/75/547229975.db2.gz BNFIIRSYYJIPCI-NSHDSACASA-N 1 0 370.291 2.016 20 10 FECDRO CCOc1cccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1O ZINC000181116543 547252838 /nfs/dbraw/zinc/25/28/38/547252838.db2.gz DWXISPJSLRFPRN-UHFFFAOYSA-N 1 0 370.515 2.331 20 10 FECDRO Cc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000184080687 547767043 /nfs/dbraw/zinc/76/70/43/547767043.db2.gz IDJMMWVWSCIJHM-MRXNPFEDSA-N 1 0 369.513 2.245 20 10 FECDRO Cc1ccc(O)c(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185155338 547942634 /nfs/dbraw/zinc/94/26/34/547942634.db2.gz JEEDZGFQUHHSMO-IBGZPJMESA-N 1 0 354.450 2.260 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186054673 548078807 /nfs/dbraw/zinc/07/88/07/548078807.db2.gz IRFCWFQVMVEIJK-ACJLOTCBSA-N 1 0 354.454 2.461 20 10 FECDRO Cc1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000186928808 548221173 /nfs/dbraw/zinc/22/11/73/548221173.db2.gz RSBIXXYQVDLDSG-HZPDHXFCSA-N 1 0 356.470 2.016 20 10 FECDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000187515330 548258680 /nfs/dbraw/zinc/25/86/80/548258680.db2.gz MWQABMPIAFCGLP-QGZVFWFLSA-N 1 0 374.529 2.273 20 10 FECDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192578741 548367195 /nfs/dbraw/zinc/36/71/95/548367195.db2.gz XZJUBJWMMJAEKD-GQCTYLIASA-N 1 0 353.422 2.287 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000237041135 548796238 /nfs/dbraw/zinc/79/62/38/548796238.db2.gz RVWDUBSISGJQGA-UHFFFAOYSA-N 1 0 364.467 2.000 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237221941 548810154 /nfs/dbraw/zinc/81/01/54/548810154.db2.gz PGUJZSIHUBPROL-HOJAQTOUSA-N 1 0 357.498 2.402 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000237827745 548856047 /nfs/dbraw/zinc/85/60/47/548856047.db2.gz UPNSQUHMINNLPQ-INIZCTEOSA-N 1 0 371.403 2.300 20 10 FECDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000266138663 550017749 /nfs/dbraw/zinc/01/77/49/550017749.db2.gz GMKWHMLIVDBBHB-INIZCTEOSA-N 1 0 367.405 2.049 20 10 FECDRO COc1cccc(CNC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1O ZINC000267394905 550030385 /nfs/dbraw/zinc/03/03/85/550030385.db2.gz WIBRIYFVGTXZTI-UHFFFAOYSA-N 1 0 371.437 2.026 20 10 FECDRO C[C@H]([NH2+]CCN1CCSCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268852863 550123413 /nfs/dbraw/zinc/12/34/13/550123413.db2.gz DAAUDVHRBRBJCZ-HNNXBMFYSA-N 1 0 353.507 2.362 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)c3cn[nH]c3)cc2F)CC1 ZINC000270313382 550260792 /nfs/dbraw/zinc/26/07/92/550260792.db2.gz QDMSBHLOHGTWOP-CQSZACIVSA-N 1 0 374.464 2.251 20 10 FECDRO O=S1(=O)CCC(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000271307419 550363145 /nfs/dbraw/zinc/36/31/45/550363145.db2.gz QGFHPNGZTREUGC-KRWDZBQOSA-N 1 0 353.484 2.198 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1cccc(OC)c1)cc2=O ZINC000271609715 550389712 /nfs/dbraw/zinc/38/97/12/550389712.db2.gz BFHLEHJQJFJYKZ-GFCCVEGCSA-N 1 0 370.409 2.471 20 10 FECDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(O)c1O ZINC000273065285 550483264 /nfs/dbraw/zinc/48/32/64/550483264.db2.gz ZBYLODJPEHNVRF-SJLPKXTDSA-N 1 0 370.449 2.019 20 10 FECDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367777 550495883 /nfs/dbraw/zinc/49/58/83/550495883.db2.gz BWJJOWZITNMJBJ-RISCZKNCSA-N 1 0 370.291 2.145 20 10 FECDRO COCCOCCOCCC[NH2+]Cc1cc(Br)ccc1O ZINC000274466326 550539229 /nfs/dbraw/zinc/53/92/29/550539229.db2.gz YJKZLYOKTRHHRO-UHFFFAOYSA-N 1 0 362.264 2.314 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1O ZINC000275313831 550571382 /nfs/dbraw/zinc/57/13/82/550571382.db2.gz JSWZOOOMUTYDAW-JSGCOSHPSA-N 1 0 356.308 2.360 20 10 FECDRO CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275472830 550572570 /nfs/dbraw/zinc/57/25/70/550572570.db2.gz OEUZSCOBVKMTGK-UHFFFAOYSA-N 1 0 355.438 2.093 20 10 FECDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1 ZINC000276364722 550578101 /nfs/dbraw/zinc/57/81/01/550578101.db2.gz MLFSVPALIFOCSJ-UHFFFAOYSA-N 1 0 355.438 2.489 20 10 FECDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1c(F)ccc(O)c1O ZINC000276539491 550579147 /nfs/dbraw/zinc/57/91/47/550579147.db2.gz ISWMKDCAURJXMQ-HNNXBMFYSA-N 1 0 374.412 2.124 20 10 FECDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000278400866 550781711 /nfs/dbraw/zinc/78/17/11/550781711.db2.gz UDEZSVUNAIZVGZ-MRXNPFEDSA-N 1 0 360.502 2.147 20 10 FECDRO COc1c([O-])c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278514984 550793960 /nfs/dbraw/zinc/79/39/60/550793960.db2.gz QQUJNWNVZMMSOK-QGZVFWFLSA-N 1 0 350.346 2.445 20 10 FECDRO COc1c(O)c(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278534979 550796577 /nfs/dbraw/zinc/79/65/77/550796577.db2.gz VYDLCORKCWTKAL-UHFFFAOYSA-N 1 0 353.419 2.340 20 10 FECDRO COc1c(O)c(C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000278910997 550835153 /nfs/dbraw/zinc/83/51/53/550835153.db2.gz SKWJHDPCGMAQQD-CQSZACIVSA-N 1 0 357.366 2.204 20 10 FECDRO C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000283028042 551300139 /nfs/dbraw/zinc/30/01/39/551300139.db2.gz KJIPPLNADHJHAH-LPHOPBHVSA-N 1 0 359.514 2.242 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000283721281 551415888 /nfs/dbraw/zinc/41/58/88/551415888.db2.gz VMCDOYMZYQGSPH-QGZVFWFLSA-N 1 0 362.518 2.340 20 10 FECDRO Cc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)n1-c1ccccc1 ZINC000286240931 551864565 /nfs/dbraw/zinc/86/45/65/551864565.db2.gz UTRFEGNIHQZLAF-LJQANCHMSA-N 1 0 352.482 2.214 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)C[C@H](C)OC)cc2F)CC1 ZINC000287697301 552035381 /nfs/dbraw/zinc/03/53/81/552035381.db2.gz MKMMHCOXCBKROT-HNNXBMFYSA-N 1 0 366.481 2.144 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccsn3)CC2)cc1 ZINC000294215505 552888980 /nfs/dbraw/zinc/88/89/80/552888980.db2.gz ASUWVMGPNHTTBA-UHFFFAOYSA-N 1 0 360.483 2.094 20 10 FECDRO COC1CCN(c2ccc(CN3CC[C@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000295202936 552969316 /nfs/dbraw/zinc/96/93/16/552969316.db2.gz NOHBLWOQSSYHEE-KRWDZBQOSA-N 1 0 366.527 2.168 20 10 FECDRO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000295711431 553048204 /nfs/dbraw/zinc/04/82/04/553048204.db2.gz KEKMUHABXRNYPE-STQMWFEESA-N 1 0 366.417 2.007 20 10 FECDRO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H]2CCc3cccc(O)c32)CC1 ZINC000296477895 553166868 /nfs/dbraw/zinc/16/68/68/553166868.db2.gz ODLKYYAINDJFSI-SHACYNPGSA-N 1 0 351.468 2.156 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000298753572 553468471 /nfs/dbraw/zinc/46/84/71/553468471.db2.gz PXUOBURIVNYRHB-AEFFLSMTSA-N 1 0 373.497 2.074 20 10 FECDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360078417 554861888 /nfs/dbraw/zinc/86/18/88/554861888.db2.gz HXILEPZRDVBMTN-WBVHZDCISA-N 1 0 373.476 2.325 20 10 FECDRO O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000364239198 555276562 /nfs/dbraw/zinc/27/65/62/555276562.db2.gz SWDHSKXWMFPLID-HNNXBMFYSA-N 1 0 363.477 2.183 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365533971 555601480 /nfs/dbraw/zinc/60/14/80/555601480.db2.gz DIXYUGKGPOHGGC-HLAWJBBLSA-N 1 0 370.541 2.127 20 10 FECDRO CN1CCC([NH+]2CCC(CCNC(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000366327866 555812912 /nfs/dbraw/zinc/81/29/12/555812912.db2.gz UEGYTODDDUYPNF-UHFFFAOYSA-N 1 0 358.530 2.124 20 10 FECDRO CCN1C(=O)N=NC1C1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000370339305 556844006 /nfs/dbraw/zinc/84/40/06/556844006.db2.gz HGKWPBXOEPXCDW-UHFFFAOYSA-N 1 0 362.405 2.431 20 10 FECDRO COc1ccc(N2CCC([NH2+]CC3(CS(C)(=O)=O)CC3)CC2)cc1 ZINC000373138880 557636666 /nfs/dbraw/zinc/63/66/66/557636666.db2.gz LTAHYWPRNUWJGS-UHFFFAOYSA-N 1 0 352.500 2.078 20 10 FECDRO CN(C)c1ccc(C2=CC[N@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)cc1 ZINC000374782864 557930721 /nfs/dbraw/zinc/93/07/21/557930721.db2.gz PZCBLUUORDDRAS-MRXNPFEDSA-N 1 0 363.527 2.123 20 10 FECDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000374833538 557938032 /nfs/dbraw/zinc/93/80/32/557938032.db2.gz FIOIGAZLPIYMGG-FNORWQNLSA-N 1 0 374.481 2.387 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)C[C@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000375363238 558015535 /nfs/dbraw/zinc/01/55/35/558015535.db2.gz RWVUNBREEMCTLD-MRXNPFEDSA-N 1 0 366.527 2.421 20 10 FECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1 ZINC000375556371 558047674 /nfs/dbraw/zinc/04/76/74/558047674.db2.gz FJMIOYLLDJAOJB-AWEZNQCLSA-N 1 0 372.469 2.088 20 10 FECDRO Cc1cccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1O ZINC000375557472 558047931 /nfs/dbraw/zinc/04/79/31/558047931.db2.gz LLCJNDOQOLJUKU-HNNXBMFYSA-N 1 0 356.470 2.388 20 10 FECDRO O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])N[C@H]1CCOc2ccccc21 ZINC000376482234 558179110 /nfs/dbraw/zinc/17/91/10/558179110.db2.gz TXXUOUOOIFRZEX-HNNXBMFYSA-N 1 0 357.366 2.030 20 10 FECDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1F ZINC000377695753 558399419 /nfs/dbraw/zinc/39/94/19/558399419.db2.gz KAZDZHROAMVCML-UHFFFAOYSA-N 1 0 372.444 2.429 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000378440242 558557832 /nfs/dbraw/zinc/55/78/32/558557832.db2.gz AQOMWJUTFFFGQW-HOTGVXAUSA-N 1 0 361.442 2.231 20 10 FECDRO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000378470841 558565066 /nfs/dbraw/zinc/56/50/66/558565066.db2.gz BZRLNEMRVCYNLP-WMZOPIPTSA-N 1 0 369.513 2.311 20 10 FECDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000378544849 558579942 /nfs/dbraw/zinc/57/99/42/558579942.db2.gz TVXSGDUMSLMSII-HWKANZROSA-N 1 0 360.454 2.213 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529353597 562370674 /nfs/dbraw/zinc/37/06/74/562370674.db2.gz XYLMKOVQPYWKAT-ZDUSSCGKSA-N 1 0 354.248 2.239 20 10 FECDRO O=C(N[C@H]1CC[NH2+]C12CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000529360864 562371006 /nfs/dbraw/zinc/37/10/06/562371006.db2.gz UKZDQCPSVBLZSL-AEFFLSMTSA-N 1 0 359.470 2.367 20 10 FECDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000808433963 674458886 /nfs/dbraw/zinc/45/88/86/674458886.db2.gz STAUCLQGRZUNHO-KRWDZBQOSA-N 1 0 359.495 2.305 20 10 FECDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cc(OC)ccc2O)CC1 ZINC000809786206 674509848 /nfs/dbraw/zinc/50/98/48/674509848.db2.gz TXDJPNFGTPHGDO-AWEZNQCLSA-N 1 0 370.515 2.283 20 10 FECDRO C[C@@H](NC(=S)NCCC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000065222373 670430429 /nfs/dbraw/zinc/43/04/29/670430429.db2.gz AEWJVRYEKHZAHN-OAHLLOKOSA-N 1 0 350.532 2.000 20 10 FECDRO CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000112744296 670875934 /nfs/dbraw/zinc/87/59/34/670875934.db2.gz SALVARJCFSOYAM-UHFFFAOYSA-N 1 0 362.543 2.477 20 10 FECDRO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000116869264 670908996 /nfs/dbraw/zinc/90/89/96/670908996.db2.gz BRFLNIQCQAAHLD-GFCCVEGCSA-N 1 0 364.467 2.141 20 10 FECDRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000125812986 672017012 /nfs/dbraw/zinc/01/70/12/672017012.db2.gz VJHJGECFOZVZPA-HNAYVOBHSA-N 1 0 352.450 2.102 20 10 FECDRO C[NH+](C)C1(CNC(=O)NCCCSc2nccs2)CCOCC1 ZINC000153574202 672201367 /nfs/dbraw/zinc/20/13/67/672201367.db2.gz XKRJIEAOHUDBBK-UHFFFAOYSA-N 1 0 358.533 2.035 20 10 FECDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(C)ccc2O)c(C)s1 ZINC000158409277 672269226 /nfs/dbraw/zinc/26/92/26/672269226.db2.gz YGGUDURPZZZTIQ-UHFFFAOYSA-N 1 0 354.497 2.447 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000186168890 672542879 /nfs/dbraw/zinc/54/28/79/672542879.db2.gz DXKYJUMWBLEVIT-CZUORRHYSA-N 1 0 352.500 2.346 20 10 FECDRO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000237861720 672813145 /nfs/dbraw/zinc/81/31/45/672813145.db2.gz URNQXSMUUDRCJH-INIZCTEOSA-N 1 0 357.420 2.497 20 10 FECDRO FC(F)(F)CN1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000237866731 672813247 /nfs/dbraw/zinc/81/32/47/672813247.db2.gz URNQXSMUUDRCJH-MRXNPFEDSA-N 1 0 357.420 2.497 20 10 FECDRO C[C@@]1(c2ccc(C[NH2+]Cc3cc(Cl)ccc3O)cc2)NC(=O)NC1=O ZINC000726190291 673110159 /nfs/dbraw/zinc/11/01/59/673110159.db2.gz YCHOXGZRIHKYAF-SFHVURJKSA-N 1 0 359.813 2.390 20 10 FECDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727838345 673184443 /nfs/dbraw/zinc/18/44/43/673184443.db2.gz IBQCMSZCCVGYSC-UHFFFAOYSA-N 1 0 355.460 2.109 20 10 FECDRO COc1ccc(N2CC[C@@H](CNC(=S)NC3CC[NH+](C)CC3)C2)cc1 ZINC000819021611 675253309 /nfs/dbraw/zinc/25/33/09/675253309.db2.gz UFTYIKYJCSDOGU-HNNXBMFYSA-N 1 0 362.543 2.080 20 10 FECDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(Br)cc3O)CC2)C1 ZINC000824761671 675620614 /nfs/dbraw/zinc/62/06/14/675620614.db2.gz ILMCAJQSIAYTPF-INIZCTEOSA-N 1 0 368.319 2.367 20 10 FECDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000825275263 675644472 /nfs/dbraw/zinc/64/44/72/675644472.db2.gz DDRQYNZTBTXNSS-UHFFFAOYSA-N 1 0 370.881 2.460 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000825732422 675666287 /nfs/dbraw/zinc/66/62/87/675666287.db2.gz STRZNKAVONVVPX-CQSZACIVSA-N 1 0 358.891 2.354 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000825732421 675666308 /nfs/dbraw/zinc/66/63/08/675666308.db2.gz STRZNKAVONVVPX-AWEZNQCLSA-N 1 0 358.891 2.354 20 10 FECDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828610671 675833382 /nfs/dbraw/zinc/83/33/82/675833382.db2.gz STSLBPGGSAUCOB-GOSISDBHSA-N 1 0 365.543 2.499 20 10 FECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000761206700 680714887 /nfs/dbraw/zinc/71/48/87/680714887.db2.gz NTPJFDKCRKNNJB-QMTHXVAHSA-N 1 0 364.833 2.071 20 10 FECDRO C[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC[N@@H+]1C ZINC000761283175 680717949 /nfs/dbraw/zinc/71/79/49/680717949.db2.gz RGJMDKZXCJUYNG-BXUZGUMPSA-N 1 0 351.834 2.293 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCSC3)cc2F)CC1 ZINC000762179438 680743760 /nfs/dbraw/zinc/74/37/60/680743760.db2.gz QHWPFCQLPZZFKU-HNNXBMFYSA-N 1 0 351.491 2.337 20 10 FECDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000763401970 680782259 /nfs/dbraw/zinc/78/22/59/680782259.db2.gz IGXVXFVMPKUTKF-UHFFFAOYSA-N 1 0 353.415 2.241 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000840827389 680845196 /nfs/dbraw/zinc/84/51/96/680845196.db2.gz ISTRYCLQFCWDGL-KBPBESRZSA-N 1 0 351.878 2.353 20 10 FECDRO C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])(N2CCOCC2)CC1 ZINC000840954191 680856761 /nfs/dbraw/zinc/85/67/61/680856761.db2.gz AABGYKRNVZFGMY-UHFFFAOYSA-N 1 0 371.884 2.071 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000840940862 680855340 /nfs/dbraw/zinc/85/53/40/680855340.db2.gz MUFUUIKMXXSLGR-SFHVURJKSA-N 1 0 351.516 2.061 20 10 FECDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)C2CC2)c(C(F)(F)F)c1 ZINC000840966564 680857731 /nfs/dbraw/zinc/85/77/31/680857731.db2.gz QMCOTWGGWGQFJU-UHFFFAOYSA-N 1 0 350.406 2.438 20 10 FECDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000834519598 680237626 /nfs/dbraw/zinc/23/76/26/680237626.db2.gz XIWZXZALUPVHJK-OAHLLOKOSA-N 1 0 352.450 2.336 20 10 FECDRO C[NH2+]CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782994 680912145 /nfs/dbraw/zinc/91/21/45/680912145.db2.gz VNXGSTCJXLXOTB-UHFFFAOYSA-N 1 0 356.417 2.166 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000768342085 680944466 /nfs/dbraw/zinc/94/44/66/680944466.db2.gz NVGKRPFZUJDYLG-GOSISDBHSA-N 1 0 353.532 2.437 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnc1Cl ZINC000842783718 680966150 /nfs/dbraw/zinc/96/61/50/680966150.db2.gz BRVYEGAAJXKMEV-HNNXBMFYSA-N 1 0 368.890 2.088 20 10 FECDRO CCOc1ccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c(O)c1 ZINC000769003814 680967645 /nfs/dbraw/zinc/96/76/45/680967645.db2.gz GKPBBTGNFFREQN-GDBMZVCRSA-N 1 0 350.459 2.154 20 10 FECDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@@H]2c2nccn2C)c1O ZINC000843122790 680989116 /nfs/dbraw/zinc/98/91/16/680989116.db2.gz UXGFGDYZLZWUHB-CQSZACIVSA-N 1 0 365.275 2.343 20 10 FECDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000843488249 681006556 /nfs/dbraw/zinc/00/65/56/681006556.db2.gz VIALWRMKYWHAMQ-HOTGVXAUSA-N 1 0 355.429 2.243 20 10 FECDRO [NH3+][C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000844171786 681043090 /nfs/dbraw/zinc/04/30/90/681043090.db2.gz WUEJAIRVCXFPRW-GOSISDBHSA-N 1 0 359.857 2.493 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1F ZINC000772599752 681104294 /nfs/dbraw/zinc/10/42/94/681104294.db2.gz NXHZCNKAYKCDGT-MRXNPFEDSA-N 1 0 371.522 2.433 20 10 FECDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000772980114 681120834 /nfs/dbraw/zinc/12/08/34/681120834.db2.gz SXCKLXDLDXXQEB-AWEZNQCLSA-N 1 0 357.495 2.406 20 10 FECDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000846677118 681275013 /nfs/dbraw/zinc/27/50/13/681275013.db2.gz NFFYOIHBSOTZFZ-SMDDNHRTSA-N 1 0 354.834 2.065 20 10 FECDRO C[NH+]1CCN(c2ccc(CNc3ncn(CC(F)(F)F)n3)cc2)CC1 ZINC000775200008 681284879 /nfs/dbraw/zinc/28/48/79/681284879.db2.gz LQDANOBEYLRNHE-UHFFFAOYSA-N 1 0 354.380 2.204 20 10 FECDRO COc1cccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1O ZINC000847589118 681400553 /nfs/dbraw/zinc/40/05/53/681400553.db2.gz FZMANBXLZDRXIT-OAHLLOKOSA-N 1 0 350.484 2.235 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)CSCCF)CC2)cc1 ZINC000850428245 681901087 /nfs/dbraw/zinc/90/10/87/681901087.db2.gz DTQCARANDUATJI-MRXNPFEDSA-N 1 0 355.523 2.498 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C3CCS(=O)(=O)CC3)C2)cc1 ZINC000850489194 681907336 /nfs/dbraw/zinc/90/73/36/681907336.db2.gz RWKWMXYGHSUAEA-HOCLYGCPSA-N 1 0 352.500 2.077 20 10 FECDRO CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(Br)ccc1O ZINC000850507422 681909765 /nfs/dbraw/zinc/90/97/65/681909765.db2.gz JJFMNQLFWIOGHA-ZBFHGGJFSA-N 1 0 374.275 2.363 20 10 FECDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000786828429 682409797 /nfs/dbraw/zinc/40/97/97/682409797.db2.gz RJGAMVLUWCDZLH-UHFFFAOYSA-N 1 0 366.508 2.278 20 10 FECDRO COc1cc(Br)cc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1O ZINC000793590705 682897492 /nfs/dbraw/zinc/89/74/92/682897492.db2.gz ODFSARBCVRTRMR-VXGBXAGGSA-N 1 0 373.291 2.050 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2COCCN2C)c1O ZINC000858522897 682976449 /nfs/dbraw/zinc/97/64/49/682976449.db2.gz KYSUHZGLZGDLIR-PWSUYJOCSA-N 1 0 359.264 2.145 20 10 FECDRO O=C(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NCC(F)F ZINC000795597067 683071369 /nfs/dbraw/zinc/07/13/69/683071369.db2.gz KUOUFMSHNLGOGA-UHFFFAOYSA-N 1 0 356.373 2.056 20 10 FECDRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000927026844 683199775 /nfs/dbraw/zinc/19/97/75/683199775.db2.gz RCPHOYCZRARBDL-FUHWJXTLSA-N 1 0 363.479 2.061 20 10 FECDRO Cc1ccnn1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000860243119 683222336 /nfs/dbraw/zinc/22/23/36/683222336.db2.gz XZFMVGGFVYIWKJ-INIZCTEOSA-N 1 0 362.861 2.331 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000798958479 683408292 /nfs/dbraw/zinc/40/82/92/683408292.db2.gz AZTGVDPLOMAIPZ-PWSUYJOCSA-N 1 0 371.231 2.094 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1Cl ZINC000862464059 683593396 /nfs/dbraw/zinc/59/33/96/683593396.db2.gz RLMAVYIMWVIFEB-GOSISDBHSA-N 1 0 354.878 2.059 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)c1O ZINC000923017566 683820131 /nfs/dbraw/zinc/82/01/31/683820131.db2.gz BOTSKKVHQFHADB-KBPBESRZSA-N 1 0 372.259 2.183 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC000866757367 684146249 /nfs/dbraw/zinc/14/62/49/684146249.db2.gz RNKJPEUQPCUIEH-GFCCVEGCSA-N 1 0 359.398 2.262 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000932024183 684393166 /nfs/dbraw/zinc/39/31/66/684393166.db2.gz GIUBAKFZCDFPAH-FZKQIMNGSA-N 1 0 350.390 2.444 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924646350 684476714 /nfs/dbraw/zinc/47/67/14/684476714.db2.gz BDLAJHBXBILCCD-MRXNPFEDSA-N 1 0 365.543 2.437 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877592660 686417972 /nfs/dbraw/zinc/41/79/72/686417972.db2.gz RLVDLUHCJQZBKR-OAHLLOKOSA-N 1 0 361.511 2.429 20 10 FECDRO CCn1ncc(Cl)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854560 687234753 /nfs/dbraw/zinc/23/47/53/687234753.db2.gz GQBVPRMJRXTXMX-UHFFFAOYSA-N 1 0 361.877 2.238 20 10 FECDRO C[NH+]1CCN(CCC[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882880668 687520765 /nfs/dbraw/zinc/52/07/65/687520765.db2.gz DGUIUYIKFCVICO-UHFFFAOYSA-N 1 0 360.271 2.021 20 10 FECDRO C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)cc(F)c1[O-] ZINC000883185165 687583313 /nfs/dbraw/zinc/58/33/13/687583313.db2.gz PRNKPWQNAPTVPA-UHFFFAOYSA-N 1 0 374.298 2.363 20 10 FECDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)C(F)(F)F ZINC000883368355 687615381 /nfs/dbraw/zinc/61/53/81/687615381.db2.gz OLQLCXGRWMXDFC-CQSZACIVSA-N 1 0 368.346 2.296 20 10 FECDRO CC(C)SCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883697179 687703848 /nfs/dbraw/zinc/70/38/48/687703848.db2.gz YEPVHGXZNXEREJ-UHFFFAOYSA-N 1 0 350.532 2.379 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@]3(C)CC3(F)F)cc2)CC1 ZINC000883776198 687724052 /nfs/dbraw/zinc/72/40/52/687724052.db2.gz TXQBZECNYSXRHL-KRWDZBQOSA-N 1 0 352.429 2.283 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1O ZINC000886229165 688216691 /nfs/dbraw/zinc/21/66/91/688216691.db2.gz LXOKSUIOVNVTBM-OLZOCXBDSA-N 1 0 360.248 2.183 20 10 FECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000886511410 688270564 /nfs/dbraw/zinc/27/05/64/688270564.db2.gz SSRIIHFEEKUVPU-HUUCEWRRSA-N 1 0 350.434 2.218 20 10 FECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(OC)c(OC)c1O)CC2 ZINC000892102208 689150544 /nfs/dbraw/zinc/15/05/44/689150544.db2.gz QIEPYFYXWLHROA-JKSUJKDBSA-N 1 0 351.443 2.161 20 10 FECDRO C[N@@H+]1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1(C)C ZINC000897662650 690059597 /nfs/dbraw/zinc/05/95/97/690059597.db2.gz BWQSYROHFAPUQC-UHFFFAOYSA-N 1 0 363.483 2.068 20 10 FECDRO CCN(C[C@H](C)OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105519 690305020 /nfs/dbraw/zinc/30/50/20/690305020.db2.gz XTFHJHPLYVNGRQ-YJBOKZPZSA-N 1 0 350.507 2.422 20 10 FECDRO CCOCCCNC(=S)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899723957 690413702 /nfs/dbraw/zinc/41/37/02/690413702.db2.gz HRRIRKWGNXEJAK-QGZVFWFLSA-N 1 0 352.548 2.246 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1F ZINC000900636629 690541554 /nfs/dbraw/zinc/54/15/54/690541554.db2.gz KZFMURXTTDTRQV-IBGZPJMESA-N 1 0 351.466 2.135 20 10 FECDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000900686687 690548531 /nfs/dbraw/zinc/54/85/31/690548531.db2.gz ODFINKHTCZIKEA-LBPRGKRZSA-N 1 0 363.483 2.068 20 10 FECDRO Oc1ccc(Br)cc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974038 690990911 /nfs/dbraw/zinc/99/09/11/690990911.db2.gz KELMBVYGRRSETP-AWEZNQCLSA-N 1 0 355.276 2.403 20 10 FECDRO O[C@@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1(O)CCC1 ZINC000905084079 691064742 /nfs/dbraw/zinc/06/47/42/691064742.db2.gz SGZVNQWQLQOKTO-INIZCTEOSA-N 1 0 356.413 2.122 20 10 FECDRO CCCN(CCC)c1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1 ZINC000800892222 674085350 /nfs/dbraw/zinc/08/53/50/674085350.db2.gz ZCTULKXIMGLQGC-UHFFFAOYSA-N 1 0 353.532 2.483 20 10 FECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611471 542192396 /nfs/dbraw/zinc/19/23/96/542192396.db2.gz IVKOMOBBIUSJRD-IBGZPJMESA-N 1 0 373.457 2.275 20 10 FECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134095 542911182 /nfs/dbraw/zinc/91/11/82/542911182.db2.gz UMXLBTXESUBOKG-SFHVURJKSA-N 1 0 367.497 2.441 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)c1 ZINC000093320799 542926492 /nfs/dbraw/zinc/92/64/92/542926492.db2.gz DQAQGNJUHFDCKC-UHFFFAOYSA-N 1 0 356.488 2.037 20 10 FECDRO CCn1cc(C[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000112095731 543430609 /nfs/dbraw/zinc/43/06/09/543430609.db2.gz KSZNNMPPZFSOSO-UHFFFAOYSA-N 1 0 357.502 2.214 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNc3ccnc(C(N)=O)c3)cc2F)CC1 ZINC000132170760 544222070 /nfs/dbraw/zinc/22/20/70/544222070.db2.gz GSHZHBWSXLAGKJ-UHFFFAOYSA-N 1 0 357.433 2.074 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000171711354 546220703 /nfs/dbraw/zinc/22/07/03/546220703.db2.gz SPOYBGWIUIOXKK-RUDMXATFSA-N 1 0 355.482 2.233 20 10 FECDRO CC[N@H+](CC(=O)NCCCOC)Cc1cc(Br)ccc1O ZINC000174425350 546296081 /nfs/dbraw/zinc/29/60/81/546296081.db2.gz FSILASJOFLCHSN-UHFFFAOYSA-N 1 0 359.264 2.129 20 10 FECDRO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(N2CCOCC2)cc1 ZINC000178047859 546730107 /nfs/dbraw/zinc/73/01/07/546730107.db2.gz KEOZRGNKVAZPME-MRXNPFEDSA-N 1 0 364.453 2.350 20 10 FECDRO C[C@@H]1C[NH+](CC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C[C@@H](C)O1 ZINC000180741533 547170516 /nfs/dbraw/zinc/17/05/16/547170516.db2.gz ISBPJJFBDKOHOF-RKIWFNSJSA-N 1 0 374.481 2.459 20 10 FECDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000181146871 547257885 /nfs/dbraw/zinc/25/78/85/547257885.db2.gz VVMMGORFUYPMEA-GQCTYLIASA-N 1 0 360.454 2.214 20 10 FECDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185970484 548066760 /nfs/dbraw/zinc/06/67/60/548066760.db2.gz DFSVFWAKXHYAQG-SNVBAGLBSA-N 1 0 365.293 2.133 20 10 FECDRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(F)ccc1O ZINC000186159070 548092799 /nfs/dbraw/zinc/09/27/99/548092799.db2.gz DJYXXFSLHDNJKV-PWSUYJOCSA-N 1 0 359.444 2.078 20 10 FECDRO Cc1ccc(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1O ZINC000188147186 548272622 /nfs/dbraw/zinc/27/26/22/548272622.db2.gz HNYMIZHWVMADRV-OAQYLSRUSA-N 1 0 370.449 2.115 20 10 FECDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000188891682 548289740 /nfs/dbraw/zinc/28/97/40/548289740.db2.gz WDMGEYJBUHZHJM-KRWDZBQOSA-N 1 0 372.513 2.049 20 10 FECDRO CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000236949730 548790872 /nfs/dbraw/zinc/79/08/72/548790872.db2.gz CKXHOWILDKGXCB-UHFFFAOYSA-N 1 0 364.467 2.331 20 10 FECDRO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccc(N)cc3)C2)cc(OC)c1 ZINC000237304486 548816257 /nfs/dbraw/zinc/81/62/57/548816257.db2.gz OSYAMVDMPIXMHB-GOSISDBHSA-N 1 0 369.465 2.219 20 10 FECDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C1 ZINC000262630448 549833494 /nfs/dbraw/zinc/83/34/94/549833494.db2.gz DSLRKZWDLHGKSJ-KRWDZBQOSA-N 1 0 366.465 2.147 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccnc3C)CC2)cc1 ZINC000264587472 549998479 /nfs/dbraw/zinc/99/84/79/549998479.db2.gz YYMBXHLLUNHFNN-UHFFFAOYSA-N 1 0 368.481 2.341 20 10 FECDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000268967073 550138668 /nfs/dbraw/zinc/13/86/68/550138668.db2.gz YSGATEKUJYYXLN-RDJZCZTQSA-N 1 0 351.466 2.034 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)CC3CC[NH2+]CC3)cc2F)C[C@H](C)O1 ZINC000269235373 550170702 /nfs/dbraw/zinc/17/07/02/550170702.db2.gz GJJAKENBODZYTR-GASCZTMLSA-N 1 0 363.477 2.445 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1OC ZINC000271890372 550409396 /nfs/dbraw/zinc/40/93/96/550409396.db2.gz RVYKJWJJGVBRAI-MRXNPFEDSA-N 1 0 356.422 2.300 20 10 FECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)c1 ZINC000272062373 550420027 /nfs/dbraw/zinc/42/00/27/550420027.db2.gz SHFBAGNYLBOFEA-UHFFFAOYSA-N 1 0 374.437 2.166 20 10 FECDRO C[NH+]1CCC(C)(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000272652467 550463114 /nfs/dbraw/zinc/46/31/14/550463114.db2.gz KTAZRUSEDDNHJL-UHFFFAOYSA-N 1 0 360.502 2.054 20 10 FECDRO Cc1ccc(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(O)c1O ZINC000272988676 550479674 /nfs/dbraw/zinc/47/96/74/550479674.db2.gz MQQMHFBGUTZZFO-UHFFFAOYSA-N 1 0 361.486 2.037 20 10 FECDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000273484157 550500038 /nfs/dbraw/zinc/50/00/38/550500038.db2.gz RATPDDVKURAOBN-KRWDZBQOSA-N 1 0 374.529 2.395 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CC(C)(C)OC1(C)C)cc2=O ZINC000274882490 550562388 /nfs/dbraw/zinc/56/23/88/550562388.db2.gz ZTCNRSMNOJHQQN-ZDUSSCGKSA-N 1 0 362.430 2.047 20 10 FECDRO C[C@]([NH3+])(C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000278336682 550774769 /nfs/dbraw/zinc/77/47/69/550774769.db2.gz WZXHZEWWCOQSRJ-JOCHJYFZSA-N 1 0 367.493 2.386 20 10 FECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000280147964 550965181 /nfs/dbraw/zinc/96/51/81/550965181.db2.gz XABBKNOXVHKECX-NSHDSACASA-N 1 0 362.289 2.411 20 10 FECDRO Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000280748244 551028049 /nfs/dbraw/zinc/02/80/49/551028049.db2.gz PPRMOLYBQCPTBX-LJQANCHMSA-N 1 0 357.429 2.287 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1 ZINC000284744124 551622462 /nfs/dbraw/zinc/62/24/62/551622462.db2.gz DUNTYXLHYOLQCL-OXQOHEQNSA-N 1 0 370.453 2.119 20 10 FECDRO C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000284802376 551637441 /nfs/dbraw/zinc/63/74/41/551637441.db2.gz LAUJOEIMAYVPRL-UHFFFAOYSA-N 1 0 373.497 2.264 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(=O)[nH]n1 ZINC000285856072 551819321 /nfs/dbraw/zinc/81/93/21/551819321.db2.gz YEIPLLFLLFIYSU-MGPQQGTHSA-N 1 0 360.433 2.373 20 10 FECDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286569081 551901054 /nfs/dbraw/zinc/90/10/54/551901054.db2.gz PNWSAZCRQZQITH-WUKSYQMZSA-N 1 0 357.498 2.066 20 10 FECDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287093430 551962561 /nfs/dbraw/zinc/96/25/61/551962561.db2.gz YSZSDUKRMPTKTB-PXNSSMCTSA-N 1 0 372.513 2.291 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1 ZINC000289262659 552290938 /nfs/dbraw/zinc/29/09/38/552290938.db2.gz FUPORVHAPVNIQN-PXNSSMCTSA-N 1 0 358.486 2.485 20 10 FECDRO CCOc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(O)c2)c1O ZINC000289508407 552332921 /nfs/dbraw/zinc/33/29/21/552332921.db2.gz UJSTYAANEFGTNB-OAHLLOKOSA-N 1 0 361.438 2.446 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000296389705 553152064 /nfs/dbraw/zinc/15/20/64/553152064.db2.gz PVQVGLINNSNDTN-UHFFFAOYSA-N 1 0 372.513 2.339 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cc1 ZINC000299724324 553607844 /nfs/dbraw/zinc/60/78/44/553607844.db2.gz UBEAYEMPYXUDCF-UHFFFAOYSA-N 1 0 374.529 2.043 20 10 FECDRO COc1ccc(O)c(C[NH2+]CCC(=O)N2CCOc3ccccc3C2)c1 ZINC000362043472 554945952 /nfs/dbraw/zinc/94/59/52/554945952.db2.gz XHTJTTMETGGFHW-UHFFFAOYSA-N 1 0 356.422 2.302 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1C ZINC000363484870 555117650 /nfs/dbraw/zinc/11/76/50/555117650.db2.gz GFVQRIFZEQFLDI-UHFFFAOYSA-N 1 0 354.454 2.215 20 10 FECDRO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363488877 555118719 /nfs/dbraw/zinc/11/87/19/555118719.db2.gz JLAQQUCLWSLRIW-QGZVFWFLSA-N 1 0 361.461 2.010 20 10 FECDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000363669764 555160696 /nfs/dbraw/zinc/16/06/96/555160696.db2.gz IGFQJQAGTCGZJO-XMAHJBAKSA-N 1 0 355.482 2.122 20 10 FECDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2Cn2nc(C)nc2C)ccc1[N+](=O)[O-] ZINC000365807892 555672035 /nfs/dbraw/zinc/67/20/35/555672035.db2.gz XOIAZFZBECDZGL-CQSZACIVSA-N 1 0 361.402 2.182 20 10 FECDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)Cc1ccc(N)cc1 ZINC000366320615 555811067 /nfs/dbraw/zinc/81/10/67/555811067.db2.gz FMTIUVZJHVGWBL-UHFFFAOYSA-N 1 0 372.557 2.466 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1O ZINC000369083890 556500376 /nfs/dbraw/zinc/50/03/76/556500376.db2.gz KRAMUHTULWMBDQ-AWEZNQCLSA-N 1 0 371.275 2.116 20 10 FECDRO c1cnc(OC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cn1 ZINC000369671264 556664757 /nfs/dbraw/zinc/66/47/57/556664757.db2.gz SHMSCNRKSIFZFV-UHFFFAOYSA-N 1 0 354.454 2.357 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000371092218 557072808 /nfs/dbraw/zinc/07/28/08/557072808.db2.gz ZPSFWYWJDZGYCD-UZLBHIALSA-N 1 0 358.486 2.343 20 10 FECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1 ZINC000372039829 557364493 /nfs/dbraw/zinc/36/44/93/557364493.db2.gz VZQABUKCWNBGGP-AWEZNQCLSA-N 1 0 360.414 2.006 20 10 FECDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000372404352 557462108 /nfs/dbraw/zinc/46/21/08/557462108.db2.gz LHNFPYWZTRCPSW-SFHVURJKSA-N 1 0 351.516 2.191 20 10 FECDRO CN1CCc2cc(CNc3ncnc4c3cnn4-c3ncccn3)ccc21 ZINC000372468401 557478785 /nfs/dbraw/zinc/47/87/85/557478785.db2.gz GPYNLGLUEKXFDD-UHFFFAOYSA-N 1 0 358.409 2.210 20 10 FECDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000373587388 557724278 /nfs/dbraw/zinc/72/42/78/557724278.db2.gz WUECLYWNKRUJDK-OALUTQOASA-N 1 0 362.470 2.066 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC3(CCOCC3)[C@H]1C)cc2=O ZINC000375235415 557996519 /nfs/dbraw/zinc/99/65/19/557996519.db2.gz BAAVEWWNNCSDRS-CYBMUJFWSA-N 1 0 374.441 2.003 20 10 FECDRO COc1ccc(N2CCC([N@H+](C)C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000375363237 558015667 /nfs/dbraw/zinc/01/56/67/558015667.db2.gz RWVUNBREEMCTLD-INIZCTEOSA-N 1 0 366.527 2.421 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c(O)c1 ZINC000375978396 558108741 /nfs/dbraw/zinc/10/87/41/558108741.db2.gz YUUPEIKGOCPHMR-MRXNPFEDSA-N 1 0 371.485 2.260 20 10 FECDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000376811749 558224393 /nfs/dbraw/zinc/22/43/93/558224393.db2.gz LGLLKGXCDPKBOR-OAHLLOKOSA-N 1 0 352.500 2.078 20 10 FECDRO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@H]2N1 ZINC000377228054 558293859 /nfs/dbraw/zinc/29/38/59/558293859.db2.gz YYVGLCLXIFGVLP-QUCCMNQESA-N 1 0 368.433 2.061 20 10 FECDRO CCOc1cccc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1O ZINC000377705401 558401975 /nfs/dbraw/zinc/40/19/75/558401975.db2.gz SHUFQNTWMWRRLL-UHFFFAOYSA-N 1 0 371.437 2.328 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cncnc2)c1 ZINC000377714665 558404019 /nfs/dbraw/zinc/40/40/19/558404019.db2.gz BTLFJFMIPIQZCM-KBMXLJTQSA-N 1 0 360.433 2.454 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000472231582 561021508 /nfs/dbraw/zinc/02/15/08/561021508.db2.gz SXGZRQLPOYMKOX-UHFFFAOYSA-N 1 0 370.497 2.493 20 10 FECDRO COc1cc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(O)cc1C ZINC000808227136 674447761 /nfs/dbraw/zinc/44/77/61/674447761.db2.gz UHOVGUKBOACHJJ-AWEZNQCLSA-N 1 0 368.499 2.003 20 10 FECDRO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)C1CC1 ZINC000808227171 674448000 /nfs/dbraw/zinc/44/80/00/674448000.db2.gz UZNGEETZUXBLNE-AWEZNQCLSA-N 1 0 364.511 2.175 20 10 FECDRO COc1cc(O)c(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826181120 608076473 /nfs/dbraw/zinc/07/64/73/608076473.db2.gz LPUDGLNPPQMDPT-UHFFFAOYSA-N 1 0 355.398 2.222 20 10 FECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000815102191 674918599 /nfs/dbraw/zinc/91/85/99/674918599.db2.gz HAIFYOIXYNQOGC-SFHVURJKSA-N 1 0 351.516 2.143 20 10 FECDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCN(S(C)(=O)=O)CC3)c2c1 ZINC000027087583 670076731 /nfs/dbraw/zinc/07/67/31/670076731.db2.gz XNBQRUINXSZSTL-UHFFFAOYSA-N 1 0 364.467 2.021 20 10 FECDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000092303775 670737351 /nfs/dbraw/zinc/73/73/51/670737351.db2.gz KJZOPEKGKRORHS-OAHLLOKOSA-N 1 0 364.467 2.068 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646784 670754020 /nfs/dbraw/zinc/75/40/20/670754020.db2.gz ZOWGFLZOVOBMSE-MOPGFXCFSA-N 1 0 366.527 2.311 20 10 FECDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000114474087 670891052 /nfs/dbraw/zinc/89/10/52/670891052.db2.gz ATMLELNTZZNALM-CQSZACIVSA-N 1 0 351.466 2.303 20 10 FECDRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000125812787 672016770 /nfs/dbraw/zinc/01/67/70/672016770.db2.gz VJHJGECFOZVZPA-BEFAXECRSA-N 1 0 352.450 2.102 20 10 FECDRO O=S(=O)(NCC[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)s1 ZINC000127803331 672041777 /nfs/dbraw/zinc/04/17/77/672041777.db2.gz NVDPWEZBODEXHE-UHFFFAOYSA-N 1 0 372.899 2.405 20 10 FECDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130039186 672069846 /nfs/dbraw/zinc/06/98/46/672069846.db2.gz BJGDAXCCKGJWLU-RHSMWYFYSA-N 1 0 352.450 2.100 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3CSC)CC2)cc1 ZINC000135425498 672133360 /nfs/dbraw/zinc/13/33/60/672133360.db2.gz LVCRIHXPTKVTPM-QGZVFWFLSA-N 1 0 363.527 2.171 20 10 FECDRO CC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000159946677 672286923 /nfs/dbraw/zinc/28/69/23/672286923.db2.gz MWLPCDNTKXZGBM-LJQANCHMSA-N 1 0 367.559 2.302 20 10 FECDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000183068114 672459795 /nfs/dbraw/zinc/45/97/95/672459795.db2.gz CXDUMHPNSKMZSL-GJZGRUSLSA-N 1 0 351.466 2.303 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3nnc(C)s3)cc2F)CC1 ZINC000185424552 672527100 /nfs/dbraw/zinc/52/71/00/672527100.db2.gz RNNFIGJEMCMPNU-UHFFFAOYSA-N 1 0 363.462 2.058 20 10 FECDRO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818965472 675247323 /nfs/dbraw/zinc/24/73/23/675247323.db2.gz ASXKTVUXDGXBGZ-BFYDXBDKSA-N 1 0 354.466 2.315 20 10 FECDRO O[C@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000819360069 675285133 /nfs/dbraw/zinc/28/51/33/675285133.db2.gz ZEUURNICTDZXCV-NSHDSACASA-N 1 0 354.319 2.204 20 10 FECDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819358731 675285178 /nfs/dbraw/zinc/28/51/78/675285178.db2.gz PBSAHZIKFMLRII-OAHLLOKOSA-N 1 0 358.429 2.067 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c1O ZINC000824708954 675617355 /nfs/dbraw/zinc/61/73/55/675617355.db2.gz LOOGCLAVQGDDLO-QMTHXVAHSA-N 1 0 360.248 2.304 20 10 FECDRO COc1cc(O)c(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1OC ZINC000827229323 675741660 /nfs/dbraw/zinc/74/16/60/675741660.db2.gz AICCEAQOPIMTRE-UHFFFAOYSA-N 1 0 357.472 2.247 20 10 FECDRO CC[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cc(Cl)ccc1O ZINC000840895961 680850749 /nfs/dbraw/zinc/85/07/49/680850749.db2.gz BXCIQELXWOOJPN-ZDUSSCGKSA-N 1 0 351.838 2.257 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840909917 680852304 /nfs/dbraw/zinc/85/23/04/680852304.db2.gz IJLHICMUNYFLFK-UHFFFAOYSA-N 1 0 365.905 2.484 20 10 FECDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)c1ccsc1 ZINC000841006199 680859426 /nfs/dbraw/zinc/85/94/26/680859426.db2.gz CMFVOSOOMLEEEI-MRXNPFEDSA-N 1 0 360.483 2.468 20 10 FECDRO C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044542 680860903 /nfs/dbraw/zinc/86/09/03/680860903.db2.gz CPDXXMQALLZFBC-HNAYVOBHSA-N 1 0 361.511 2.204 20 10 FECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000748648059 679984118 /nfs/dbraw/zinc/98/41/18/679984118.db2.gz UWXCAZWZWLUHEF-SJKOYZFVSA-N 1 0 353.488 2.198 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnc([C@H]3CCCO3)s2)cc1 ZINC000832265845 680118947 /nfs/dbraw/zinc/11/89/47/680118947.db2.gz ADGZNWYXFIAFLB-HUUCEWRRSA-N 1 0 360.483 2.490 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnc([C@H]3CCCO3)s2)cc1 ZINC000832265847 680118962 /nfs/dbraw/zinc/11/89/62/680118962.db2.gz ADGZNWYXFIAFLB-LSDHHAIUSA-N 1 0 360.483 2.490 20 10 FECDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000834906252 680281649 /nfs/dbraw/zinc/28/16/49/680281649.db2.gz YQFJJTOSUBXXLT-OAHLLOKOSA-N 1 0 367.921 2.284 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000835042152 680290067 /nfs/dbraw/zinc/29/00/67/680290067.db2.gz DODKHXOQJVHHRQ-ONEGZZNKSA-N 1 0 359.495 2.246 20 10 FECDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000759172829 680632978 /nfs/dbraw/zinc/63/29/78/680632978.db2.gz IYEMJBCPWNYEFM-OCCSQVGLSA-N 1 0 360.248 2.447 20 10 FECDRO C[C@H](CC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843651 680914524 /nfs/dbraw/zinc/91/45/24/680914524.db2.gz LBSFRJPETLDZNM-OLZOCXBDSA-N 1 0 356.417 2.293 20 10 FECDRO Nc1ccc(Cc2nc(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)cs2)cc1 ZINC000841852196 680914650 /nfs/dbraw/zinc/91/46/50/680914650.db2.gz IEXPKMMRGWNOET-CYBMUJFWSA-N 1 0 352.410 2.043 20 10 FECDRO Cc1nc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)sc1C ZINC000768461892 680947656 /nfs/dbraw/zinc/94/76/56/680947656.db2.gz HANHXFMMXGMPIT-MRXNPFEDSA-N 1 0 361.467 2.214 20 10 FECDRO COc1cc(Cl)cc(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)c1O ZINC000768533283 680949393 /nfs/dbraw/zinc/94/93/93/680949393.db2.gz QTTHLQLXAUVWCV-UHFFFAOYSA-N 1 0 374.865 2.373 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1F ZINC000842721806 680962094 /nfs/dbraw/zinc/96/20/94/680962094.db2.gz LVOZNGFQXQGHLL-AWEZNQCLSA-N 1 0 364.442 2.216 20 10 FECDRO COc1cc(Br)cc(CN2CC[NH+](CCCCO)CC2)c1O ZINC000769396603 680980787 /nfs/dbraw/zinc/98/07/87/680980787.db2.gz MMDNPGGGANJSES-UHFFFAOYSA-N 1 0 373.291 2.053 20 10 FECDRO COc1cc(Br)cc(C[NH+]2CCC(OCCO)CC2)c1O ZINC000769538021 680986440 /nfs/dbraw/zinc/98/64/40/680986440.db2.gz OUYCVWVRQLTLMC-UHFFFAOYSA-N 1 0 360.248 2.137 20 10 FECDRO COc1cc(Br)cc(CN2CC[NH2+]C[C@H]2C(F)F)c1O ZINC000843124744 680989123 /nfs/dbraw/zinc/98/91/23/680989123.db2.gz MIFIFVJCVSXPDQ-JTQLQIEISA-N 1 0 351.191 2.202 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843446504 681004356 /nfs/dbraw/zinc/00/43/56/681004356.db2.gz IEEFSCMOQLMFOE-CQSZACIVSA-N 1 0 371.275 2.272 20 10 FECDRO COCC[NH2+]C1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000844901795 681092432 /nfs/dbraw/zinc/09/24/32/681092432.db2.gz YNWVDQUDSUQPFU-UHFFFAOYSA-N 1 0 373.291 2.364 20 10 FECDRO CCON(C)C(=O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846064832 681178121 /nfs/dbraw/zinc/17/81/21/681178121.db2.gz NKNZVGJHGCWPQY-UHFFFAOYSA-N 1 0 350.419 2.085 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1O ZINC000846145274 681188937 /nfs/dbraw/zinc/18/89/37/681188937.db2.gz PFDSWPIZCIFIHE-KDOFPFPSSA-N 1 0 352.500 2.259 20 10 FECDRO COc1c(O)c(C[NH2+][C@@H](C)C(=O)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775007362 681267295 /nfs/dbraw/zinc/26/72/95/681267295.db2.gz LPKQSGFZOYYYGB-NEPJUHHUSA-N 1 0 351.403 2.188 20 10 FECDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000776521287 681399172 /nfs/dbraw/zinc/39/91/72/681399172.db2.gz VQOMKIUGSQKHLX-HNNXBMFYSA-N 1 0 360.248 2.337 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934337450 681554640 /nfs/dbraw/zinc/55/46/40/681554640.db2.gz XBNUSZOJVRIDFW-INIZCTEOSA-N 1 0 358.511 2.390 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1O ZINC000848529468 681572758 /nfs/dbraw/zinc/57/27/58/681572758.db2.gz NWXDCUISQOHSPD-TVQRCGJNSA-N 1 0 370.247 2.281 20 10 FECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000848535210 681573389 /nfs/dbraw/zinc/57/33/89/681573389.db2.gz BMCDMGPMYQQERV-DTWKUNHWSA-N 1 0 366.277 2.247 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@]2(O)CCOC2)c1O ZINC000848555161 681577468 /nfs/dbraw/zinc/57/74/68/681577468.db2.gz MEPLSLRKKSKJMT-BONVTDFDSA-N 1 0 360.248 2.355 20 10 FECDRO COc1cc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850225217 681869599 /nfs/dbraw/zinc/86/95/99/681869599.db2.gz LSKXKOOIZAMCAZ-ZDUSSCGKSA-N 1 0 370.515 2.069 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000850346404 681888019 /nfs/dbraw/zinc/88/80/19/681888019.db2.gz UKEZPOAGSDCHJM-INIZCTEOSA-N 1 0 360.479 2.467 20 10 FECDRO COc1ccc(N2CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC2)cc1F ZINC000851677364 682104322 /nfs/dbraw/zinc/10/43/22/682104322.db2.gz DSXGUYBGGPZHFZ-MRXNPFEDSA-N 1 0 352.454 2.039 20 10 FECDRO COc1cc(N2CC[NH+]([C@@H]3CC[C@H](OC)C3)CC2)cc(OC)c1OC ZINC000851935763 682187958 /nfs/dbraw/zinc/18/79/58/682187958.db2.gz GVNHNXUOICIFSD-ZBFHGGJFSA-N 1 0 350.459 2.402 20 10 FECDRO COc1ccc(N2CC[C@H](NC(=O)c3cc4c(s3)CC[NH2+]C4)C2)cc1 ZINC000852844146 682349360 /nfs/dbraw/zinc/34/93/60/682349360.db2.gz RAEPMNMOQLVJKD-AWEZNQCLSA-N 1 0 357.479 2.411 20 10 FECDRO CCOC(=O)c1cnc(Sc2nnc(C3CC[NH2+]CC3)n2C)s1 ZINC000853347412 682407353 /nfs/dbraw/zinc/40/73/53/682407353.db2.gz JYGJMYQVWOIRMS-UHFFFAOYSA-N 1 0 353.473 2.067 20 10 FECDRO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000788389973 682527506 /nfs/dbraw/zinc/52/75/06/682527506.db2.gz XYLRIHDPQABUJY-SFHVURJKSA-N 1 0 364.511 2.271 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000793586129 682897219 /nfs/dbraw/zinc/89/72/19/682897219.db2.gz GCJFXPWLOMTDNB-OLZOCXBDSA-N 1 0 357.292 2.350 20 10 FECDRO COc1cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793589325 682897506 /nfs/dbraw/zinc/89/75/06/682897506.db2.gz NUDHVEGDPRUMTB-CQSZACIVSA-N 1 0 370.515 2.164 20 10 FECDRO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858520096 682976147 /nfs/dbraw/zinc/97/61/47/682976147.db2.gz CZHBFHFOPMBHAH-ZBFHGGJFSA-N 1 0 353.894 2.158 20 10 FECDRO COC(=O)/C=C/c1ccc(N2CC[NH+](CCCF)CC2)c([N+](=O)[O-])c1 ZINC000858598484 682983119 /nfs/dbraw/zinc/98/31/19/682983119.db2.gz FGKKZGWSBLKYOJ-GQCTYLIASA-N 1 0 351.378 2.263 20 10 FECDRO CCN(CC[NH3+])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000861596987 683441150 /nfs/dbraw/zinc/44/11/50/683441150.db2.gz XCLZDRZPSFBAFZ-CYBMUJFWSA-N 1 0 356.417 2.247 20 10 FECDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000862327069 683569513 /nfs/dbraw/zinc/56/95/13/683569513.db2.gz XKUTUCVOVCMFPS-OAHLLOKOSA-N 1 0 360.248 2.337 20 10 FECDRO COc1c(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645088 683756385 /nfs/dbraw/zinc/75/63/85/683756385.db2.gz AXANTGZNGTUDNC-QWRGUYRKSA-N 1 0 363.336 2.268 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CCOC2CCOCC2)c1O ZINC000922933835 683806846 /nfs/dbraw/zinc/80/68/46/683806846.db2.gz PBBXYNZPGCJXPT-UHFFFAOYSA-N 1 0 360.248 2.449 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)c1O ZINC000923017569 683820016 /nfs/dbraw/zinc/82/00/16/683820016.db2.gz BOTSKKVHQFHADB-KGLIPLIRSA-N 1 0 372.259 2.183 20 10 FECDRO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Br)ccc1O ZINC000866519450 684114765 /nfs/dbraw/zinc/11/47/65/684114765.db2.gz BGMXVKPVERHKNR-BONVTDFDSA-N 1 0 371.231 2.027 20 10 FECDRO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1CCCSc1nccs1 ZINC000924642360 684476752 /nfs/dbraw/zinc/47/67/52/684476752.db2.gz ZNXMOLAUWOOTBP-GFCCVEGCSA-N 1 0 354.501 2.032 20 10 FECDRO [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000876776592 686266246 /nfs/dbraw/zinc/26/62/46/686266246.db2.gz IKLQORJRBQWYJH-KGLIPLIRSA-N 1 0 351.397 2.421 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]CC3CCSCC3)cc2)CC1 ZINC000877030272 686314576 /nfs/dbraw/zinc/31/45/76/686314576.db2.gz DNBJQZBGQHCVNJ-UHFFFAOYSA-N 1 0 354.541 2.154 20 10 FECDRO CCOc1cccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1O ZINC000883291434 687600968 /nfs/dbraw/zinc/60/09/68/687600968.db2.gz DTWSWXYAJCBZMX-UHFFFAOYSA-N 1 0 356.488 2.131 20 10 FECDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000886511409 688270667 /nfs/dbraw/zinc/27/06/67/688270667.db2.gz SSRIIHFEEKUVPU-GJZGRUSLSA-N 1 0 350.434 2.218 20 10 FECDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891589658 689080810 /nfs/dbraw/zinc/08/08/10/689080810.db2.gz LFXAFQOAYXOFCU-HNNXBMFYSA-N 1 0 350.413 2.107 20 10 FECDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)[C@@H]2C1 ZINC000892030597 689142783 /nfs/dbraw/zinc/14/27/83/689142783.db2.gz BJSVTASTRZKEKY-SJLPKXTDSA-N 1 0 360.527 2.085 20 10 FECDRO COc1ccc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000893274485 689324977 /nfs/dbraw/zinc/32/49/77/689324977.db2.gz JYLMUWJFJCDNLT-UHFFFAOYSA-N 1 0 352.431 2.366 20 10 FECDRO COC(=O)[C@@H]1[C@@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1(F)F ZINC000893879794 689422332 /nfs/dbraw/zinc/42/23/32/689422332.db2.gz JKGFMNOHPDZXPP-FMKPAKJESA-N 1 0 355.381 2.428 20 10 FECDRO CN(Cc1nc(Br)nn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000894461617 689536925 /nfs/dbraw/zinc/53/69/25/689536925.db2.gz JUFFHBYQCOLVBX-UHFFFAOYSA-N 1 0 368.279 2.154 20 10 FECDRO COc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c(O)c1OC ZINC000894715465 689582116 /nfs/dbraw/zinc/58/21/16/689582116.db2.gz MMEUNJNJXIDWGP-UHFFFAOYSA-N 1 0 351.424 2.103 20 10 FECDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2cc(Br)ccc2O)C1(F)F ZINC000894755041 689589531 /nfs/dbraw/zinc/58/95/31/689589531.db2.gz MGYGUBBLMYOHJG-GXSJLCMTSA-N 1 0 350.159 2.299 20 10 FECDRO C[NH+](C)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1 ZINC000896354670 689859559 /nfs/dbraw/zinc/85/95/59/689859559.db2.gz MFLGOHARDORCOJ-UHFFFAOYSA-N 1 0 350.440 2.153 20 10 FECDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c(O)c1OC ZINC000896398804 689868870 /nfs/dbraw/zinc/86/88/70/689868870.db2.gz WIPQFIXRKFGMJC-UGSOOPFHSA-N 1 0 350.415 2.120 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896748708 689925200 /nfs/dbraw/zinc/92/52/00/689925200.db2.gz LOMZAPFGBHLMLE-CQSZACIVSA-N 1 0 353.850 2.098 20 10 FECDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896982704 689958391 /nfs/dbraw/zinc/95/83/91/689958391.db2.gz XETJAGNMAGXENI-UHFFFAOYSA-N 1 0 364.467 2.278 20 10 FECDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c(O)c1OC ZINC000897178607 689984890 /nfs/dbraw/zinc/98/48/90/689984890.db2.gz BWNAHRFGVNBELG-OAHLLOKOSA-N 1 0 351.443 2.163 20 10 FECDRO COc1cccc(O)c1C[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000897274421 689998957 /nfs/dbraw/zinc/99/89/57/689998957.db2.gz KMOZCMVTOYBFEC-UHFFFAOYSA-N 1 0 368.499 2.181 20 10 FECDRO COc1cccc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1O ZINC000898398082 690175303 /nfs/dbraw/zinc/17/53/03/690175303.db2.gz BIXAJLBAFDOYRY-XMMPIXPASA-N 1 0 355.504 2.187 20 10 FECDRO CN(C)c1ccc([C@@H](CN2C(=O)N[C@](C)(CCF)C2=O)[NH+](C)C)cc1 ZINC000900184958 690481074 /nfs/dbraw/zinc/48/10/74/690481074.db2.gz IDAXHKPIPDEGBL-CRAIPNDOSA-N 1 0 350.438 2.025 20 10 FECDRO COc1cc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c(O)cc1C ZINC000902672643 690796592 /nfs/dbraw/zinc/79/65/92/690796592.db2.gz ZFZDDRYMVCMIKX-RUZDIDTESA-N 1 0 369.531 2.496 20 10 FECDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000054787084 540610125 /nfs/dbraw/zinc/61/01/25/540610125.db2.gz XPJSGUCPSVFVLG-KRWDZBQOSA-N 1 0 360.502 2.054 20 10 FECDRO CC(C)C[NH+]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000054786260 540610215 /nfs/dbraw/zinc/61/02/15/540610215.db2.gz SWXRDGUJGLHAFO-UHFFFAOYSA-N 1 0 360.502 2.006 20 10 FECDRO C[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000090916986 542789411 /nfs/dbraw/zinc/78/94/11/542789411.db2.gz IGOZPSNINZDUFR-IOMROCGXSA-N 1 0 359.514 2.427 20 10 FECDRO CN1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000093142553 542912923 /nfs/dbraw/zinc/91/29/23/542912923.db2.gz IRACXFBNXZJIEH-UHFFFAOYSA-N 1 0 365.905 2.422 20 10 FECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093613641 542935742 /nfs/dbraw/zinc/93/57/42/542935742.db2.gz LYNHQVCQFKCGGR-VQTJNVASSA-N 1 0 360.498 2.275 20 10 FECDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093663790 542937472 /nfs/dbraw/zinc/93/74/72/542937472.db2.gz QKDXXKVRVJDFFW-CYBMUJFWSA-N 1 0 355.276 2.309 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)CCN2CC[NH+](CC)CC2)cc1F ZINC000109022421 543311039 /nfs/dbraw/zinc/31/10/39/543311039.db2.gz RJZWRRSYNMDELC-UHFFFAOYSA-N 1 0 364.509 2.316 20 10 FECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCN1c1cccnn1 ZINC000120376730 543679280 /nfs/dbraw/zinc/67/92/80/543679280.db2.gz MNZDZEQXMGJIAC-FQEVSTJZSA-N 1 0 367.497 2.414 20 10 FECDRO Cc1c(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cnn1C ZINC000134264315 544300849 /nfs/dbraw/zinc/30/08/49/544300849.db2.gz IKEABNDOEKTZSZ-OAHLLOKOSA-N 1 0 362.861 2.482 20 10 FECDRO C[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1 ZINC000150935896 544488669 /nfs/dbraw/zinc/48/86/69/544488669.db2.gz DXFIVBDJFVKNLN-YESZJQIVSA-N 1 0 365.493 2.422 20 10 FECDRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165487926 546153414 /nfs/dbraw/zinc/15/34/14/546153414.db2.gz NMXDDVCYUWAPER-HNNXBMFYSA-N 1 0 359.392 2.142 20 10 FECDRO COc1cccc(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1O ZINC000174131007 546291583 /nfs/dbraw/zinc/29/15/83/546291583.db2.gz MOLCOHRUEZWMBH-UHFFFAOYSA-N 1 0 370.453 2.260 20 10 FECDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000177013590 546524149 /nfs/dbraw/zinc/52/41/49/546524149.db2.gz YENAVZUGRYUNME-OJLWIZQOSA-N 1 0 357.498 2.479 20 10 FECDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccc1OCC(N)=O ZINC000178028208 546725280 /nfs/dbraw/zinc/72/52/80/546725280.db2.gz OPNDDVLVSXXMAD-AWEZNQCLSA-N 1 0 357.454 2.476 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)c3cccc(O)c3)CC2)cc1 ZINC000181510015 547325519 /nfs/dbraw/zinc/32/55/19/547325519.db2.gz YKKSZKSTBDUHNO-MRXNPFEDSA-N 1 0 369.465 2.400 20 10 FECDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(O)c1O ZINC000182459509 547496520 /nfs/dbraw/zinc/49/65/20/547496520.db2.gz MEWCJXNUXLFJOP-WMLDXEAASA-N 1 0 355.438 2.442 20 10 FECDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183221789 547623104 /nfs/dbraw/zinc/62/31/04/547623104.db2.gz GWVCOPRFKHHJIO-CQSZACIVSA-N 1 0 351.466 2.475 20 10 FECDRO COc1cc(N2CC[NH+](CCc3cccnc3)CC2)cc(OC)c1OC ZINC000183699113 547703864 /nfs/dbraw/zinc/70/38/64/547703864.db2.gz MCWDNDGBNQITCJ-UHFFFAOYSA-N 1 0 357.454 2.472 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c1 ZINC000184980894 547911184 /nfs/dbraw/zinc/91/11/84/547911184.db2.gz FRNAQHGUMJQJOO-MRXNPFEDSA-N 1 0 371.485 2.054 20 10 FECDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3ccnn3C)CC2)cc1 ZINC000192619176 548367055 /nfs/dbraw/zinc/36/70/55/548367055.db2.gz DGODRJXIYPWDRZ-KRWDZBQOSA-N 1 0 357.502 2.292 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237223002 548809812 /nfs/dbraw/zinc/80/98/12/548809812.db2.gz TWDPHSYVXMNKFA-OAQYLSRUSA-N 1 0 365.477 2.196 20 10 FECDRO Nc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000262654499 549835551 /nfs/dbraw/zinc/83/55/51/549835551.db2.gz BYXVWFRDBIIOIF-UHFFFAOYSA-N 1 0 353.466 2.084 20 10 FECDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccccc1C ZINC000264691771 549999713 /nfs/dbraw/zinc/99/97/13/549999713.db2.gz MKPHGGBMYHHFFU-GOSISDBHSA-N 1 0 354.498 2.378 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cccnc3)cc2F)CC1 ZINC000264718941 550000313 /nfs/dbraw/zinc/00/03/13/550000313.db2.gz UZSVPLNUWDPVDO-UHFFFAOYSA-N 1 0 356.445 2.222 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1F ZINC000264933533 550004369 /nfs/dbraw/zinc/00/43/69/550004369.db2.gz BWTBRGDUIOIBFZ-OAHLLOKOSA-N 1 0 360.355 2.165 20 10 FECDRO C[C@H]1CN(c2ccc(CNC(=O)CC3CC[NH2+]CC3)cc2F)C[C@H](C)O1 ZINC000269235375 550170394 /nfs/dbraw/zinc/17/03/94/550170394.db2.gz GJJAKENBODZYTR-GJZGRUSLSA-N 1 0 363.477 2.445 20 10 FECDRO Nc1ccc(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000269242674 550171803 /nfs/dbraw/zinc/17/18/03/550171803.db2.gz BYLDHSHPWUNKCT-UHFFFAOYSA-N 1 0 366.509 2.135 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000271855319 550406255 /nfs/dbraw/zinc/40/62/55/550406255.db2.gz SDIOZJVDOUFDHX-STQMWFEESA-N 1 0 361.394 2.220 20 10 FECDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(O)c1 ZINC000271989453 550414933 /nfs/dbraw/zinc/41/49/33/550414933.db2.gz KZCBYROVYQHRAP-MAUKXSAKSA-N 1 0 369.483 2.007 20 10 FECDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273585286 550504323 /nfs/dbraw/zinc/50/43/23/550504323.db2.gz NSOZJSHHMIXVSJ-JKSUJKDBSA-N 1 0 363.502 2.103 20 10 FECDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000278766293 550819829 /nfs/dbraw/zinc/81/98/29/550819829.db2.gz UFSQSWCRMVYCLC-IUODEOHRSA-N 1 0 374.275 2.001 20 10 FECDRO COc1c(O)c(C[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278884750 550832593 /nfs/dbraw/zinc/83/25/93/550832593.db2.gz OSSGQILRCKLLBA-HNNXBMFYSA-N 1 0 373.409 2.098 20 10 FECDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000282326313 551212169 /nfs/dbraw/zinc/21/21/69/551212169.db2.gz ALFCGLQHSZKNLS-WBVHZDCISA-N 1 0 361.486 2.107 20 10 FECDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000282326302 551212248 /nfs/dbraw/zinc/21/22/48/551212248.db2.gz ALFCGLQHSZKNLS-NVXWUHKLSA-N 1 0 361.486 2.107 20 10 FECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000282573350 551247865 /nfs/dbraw/zinc/24/78/65/551247865.db2.gz ZWBZMWUMOPERJZ-HNNXBMFYSA-N 1 0 361.486 2.120 20 10 FECDRO CCCOc1ccc(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c(O)c1 ZINC000284586985 551583597 /nfs/dbraw/zinc/58/35/97/551583597.db2.gz PWFRWAMIOHKMTG-PKOBYXMFSA-N 1 0 362.470 2.283 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(O)c2)c1 ZINC000289466041 552326302 /nfs/dbraw/zinc/32/63/02/552326302.db2.gz OVUDGZWTAGYTEV-HNNXBMFYSA-N 1 0 361.438 2.446 20 10 FECDRO CCOc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(O)c2)c1O ZINC000289508405 552332783 /nfs/dbraw/zinc/33/27/83/552332783.db2.gz UJSTYAANEFGTNB-HNNXBMFYSA-N 1 0 361.438 2.446 20 10 FECDRO COC[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)OCCc2ccccc21 ZINC000289773714 552376255 /nfs/dbraw/zinc/37/62/55/552376255.db2.gz IYVVQWNMPMDIFG-HXUWFJFHSA-N 1 0 357.406 2.325 20 10 FECDRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000290055416 552420787 /nfs/dbraw/zinc/42/07/87/552420787.db2.gz GUOXRCQCYYPIIG-CQSZACIVSA-N 1 0 352.481 2.397 20 10 FECDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c(O)c1 ZINC000293862008 552863340 /nfs/dbraw/zinc/86/33/40/552863340.db2.gz UPAAWVJJHAWPGF-AWEZNQCLSA-N 1 0 355.438 2.075 20 10 FECDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](N4CCCC4=O)C3)cc2)CC1 ZINC000296331708 553142626 /nfs/dbraw/zinc/14/26/26/553142626.db2.gz PITORTPBOLHVPI-LJQANCHMSA-N 1 0 357.498 2.499 20 10 FECDRO C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+](C2CC2)C1 ZINC000296706367 553200881 /nfs/dbraw/zinc/20/08/81/553200881.db2.gz LKXLLHIRJXQQPI-KRWDZBQOSA-N 1 0 358.530 2.127 20 10 FECDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297018933 553242920 /nfs/dbraw/zinc/24/29/20/553242920.db2.gz UHKWICFXALNFKZ-MRXNPFEDSA-N 1 0 352.500 2.419 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000298554458 553439627 /nfs/dbraw/zinc/43/96/27/553439627.db2.gz CRNKDNKPOQVVBZ-NRFANRHFSA-N 1 0 373.497 2.075 20 10 FECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1O ZINC000325950050 553778666 /nfs/dbraw/zinc/77/86/66/553778666.db2.gz DEKVIQAXMJHDII-AWEZNQCLSA-N 1 0 351.834 2.410 20 10 FECDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000360021364 554859804 /nfs/dbraw/zinc/85/98/04/554859804.db2.gz NMAVXQAGHSMTFZ-UTKZUKDTSA-N 1 0 370.497 2.487 20 10 FECDRO COc1cc(O)c(C[N@H+](C)C2CCN(c3ncccn3)CC2)cc1OC ZINC000361047803 554901965 /nfs/dbraw/zinc/90/19/65/554901965.db2.gz FLPJXWPZQBGYJY-UHFFFAOYSA-N 1 0 358.442 2.300 20 10 FECDRO C[NH+]1CCC([C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)CC1 ZINC000361191455 554908950 /nfs/dbraw/zinc/90/89/50/554908950.db2.gz ODOFFBPNYOCOHM-ZDUSSCGKSA-N 1 0 360.414 2.094 20 10 FECDRO O=C(Nc1cccnc1)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000362337837 554965168 /nfs/dbraw/zinc/96/51/68/554965168.db2.gz YXUNDFGICWFROJ-UHFFFAOYSA-N 1 0 355.394 2.367 20 10 FECDRO c1cnnc(N2CCC[C@@H]2C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000363009892 555009287 /nfs/dbraw/zinc/00/92/87/555009287.db2.gz BIDWTFQAIVJZFL-LJQANCHMSA-N 1 0 353.470 2.072 20 10 FECDRO O=C(C[N@@H+]1CCC[C@@H]1C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363384124 555091041 /nfs/dbraw/zinc/09/10/41/555091041.db2.gz GIKRSVTVGRUTLV-GOSISDBHSA-N 1 0 361.461 2.153 20 10 FECDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000363669761 555160541 /nfs/dbraw/zinc/16/05/41/555160541.db2.gz IGFQJQAGTCGZJO-CSAUUDERSA-N 1 0 355.482 2.122 20 10 FECDRO CN1C(=O)NC2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C1=O ZINC000367731355 556125839 /nfs/dbraw/zinc/12/58/39/556125839.db2.gz YGQUCHSVSZUCGG-UHFFFAOYSA-N 1 0 356.470 2.193 20 10 FECDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052290 556204552 /nfs/dbraw/zinc/20/45/52/556204552.db2.gz VCGVSSDOEYVKOF-RDTXWAMCSA-N 1 0 362.470 2.469 20 10 FECDRO COc1ccc(N2CCC([NH2+]CCC(=O)NCc3cccnc3)CC2)cc1 ZINC000370653142 556931917 /nfs/dbraw/zinc/93/19/17/556931917.db2.gz KOTVDTNWRLTRSD-UHFFFAOYSA-N 1 0 368.481 2.355 20 10 FECDRO C[N@@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000371554478 557220628 /nfs/dbraw/zinc/22/06/28/557220628.db2.gz QFLVPZFAXZXFEI-NKVQNLSVSA-N 1 0 355.482 2.089 20 10 FECDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3cc(Br)ccc3O)C2)n1 ZINC000371715545 557272830 /nfs/dbraw/zinc/27/28/30/557272830.db2.gz QGKXVUWLVXKUPN-CYBMUJFWSA-N 1 0 351.248 2.257 20 10 FECDRO c1nnc2c(N3CCC[C@@H](C[NH2+]Cc4ccc5c(c4)CCO5)C3)nccn12 ZINC000372105399 557380935 /nfs/dbraw/zinc/38/09/35/557380935.db2.gz LBGVFRKRGLXSNY-INIZCTEOSA-N 1 0 364.453 2.065 20 10 FECDRO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C)n1-c1ccccn1 ZINC000372581339 557511924 /nfs/dbraw/zinc/51/19/24/557511924.db2.gz FTGYJRFKVQGVCP-RTBURBONSA-N 1 0 368.481 2.160 20 10 FECDRO CN(C)c1ccc(C2=CC[N@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)cc1 ZINC000372807750 557566256 /nfs/dbraw/zinc/56/62/56/557566256.db2.gz ZMUHNHNEQFOHFM-UHFFFAOYSA-N 1 0 356.470 2.172 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373254659 557659387 /nfs/dbraw/zinc/65/93/87/557659387.db2.gz FXYMPQJWBMJFFR-KBPBESRZSA-N 1 0 355.438 2.429 20 10 FECDRO COc1ccc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000373665395 557734323 /nfs/dbraw/zinc/73/43/23/557734323.db2.gz HVFZNPGRGXITLB-LJQANCHMSA-N 1 0 370.449 2.308 20 10 FECDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513580 558354882 /nfs/dbraw/zinc/35/48/82/558354882.db2.gz UQBNRBCXFPCXRV-SJORKVTESA-N 1 0 354.454 2.082 20 10 FECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821109245 607454139 /nfs/dbraw/zinc/45/41/39/607454139.db2.gz DNDQOPXXBNGQLN-KRWDZBQOSA-N 1 0 366.425 2.011 20 10 FECDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CCS(=O)(=O)CC1 ZINC000809713166 674506845 /nfs/dbraw/zinc/50/68/45/674506845.db2.gz KMHORZIYQFZPKQ-JTQLQIEISA-N 1 0 362.289 2.458 20 10 FECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826210492 608590254 /nfs/dbraw/zinc/59/02/54/608590254.db2.gz UDRFARIROZEXKO-SFHVURJKSA-N 1 0 367.409 2.154 20 10 FECDRO C[C@@H](C(=O)Nc1nccs1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000127216775 672033845 /nfs/dbraw/zinc/03/38/45/672033845.db2.gz VOGPAKUGAOLYNP-AWEZNQCLSA-N 1 0 360.483 2.439 20 10 FECDRO C[N@H+](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000154126923 672211362 /nfs/dbraw/zinc/21/13/62/672211362.db2.gz QJOYPVRGSIROAS-IAGOWNOFSA-N 1 0 364.511 2.337 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(SC)CC3)CC2)cc1 ZINC000190119997 672630764 /nfs/dbraw/zinc/63/07/64/672630764.db2.gz FORQQQCKSBXFED-UHFFFAOYSA-N 1 0 363.527 2.219 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245812102 672824983 /nfs/dbraw/zinc/82/49/83/672824983.db2.gz ZOWGFLZOVOBMSE-RTBURBONSA-N 1 0 366.527 2.311 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCS(=O)(=O)CC3)cc2F)C[C@@H](C)O1 ZINC000291235410 672994760 /nfs/dbraw/zinc/99/47/60/672994760.db2.gz ULQXHFDDQGOMGS-ZIAGYGMSSA-N 1 0 370.490 2.106 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H](S(C)(=O)=O)C3)C2)cc1 ZINC000822494111 675488283 /nfs/dbraw/zinc/48/82/83/675488283.db2.gz GRWHLKCYWOSMOJ-GJYPPUQNSA-N 1 0 366.527 2.467 20 10 FECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)C2)cc1 ZINC000822494117 675488408 /nfs/dbraw/zinc/48/84/08/675488408.db2.gz GRWHLKCYWOSMOJ-MDZRGWNJSA-N 1 0 366.527 2.467 20 10 FECDRO Cc1cc(O)c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1Cl ZINC000825347871 675647782 /nfs/dbraw/zinc/64/77/82/675647782.db2.gz TWPAKTUIPVZAEK-UHFFFAOYSA-N 1 0 358.891 2.400 20 10 FECDRO CSCC[C@@H](O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827309494 675746928 /nfs/dbraw/zinc/74/69/28/675746928.db2.gz FOLIPQIFLFRUII-GDBMZVCRSA-N 1 0 372.918 2.240 20 10 FECDRO CSCC[C@H](O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827309502 675747003 /nfs/dbraw/zinc/74/70/03/675747003.db2.gz FOLIPQIFLFRUII-ZBFHGGJFSA-N 1 0 372.918 2.240 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000828619353 675834078 /nfs/dbraw/zinc/83/40/78/675834078.db2.gz GEEDWBCWWGHWHD-KRWDZBQOSA-N 1 0 351.516 2.238 20 10 FECDRO Cc1cc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000829993848 677020556 /nfs/dbraw/zinc/02/05/56/677020556.db2.gz NCSWCVNIAKVDGZ-GOSISDBHSA-N 1 0 365.543 2.451 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000764750474 680820195 /nfs/dbraw/zinc/82/01/95/680820195.db2.gz KMASAEJJMKHWLC-KGLIPLIRSA-N 1 0 372.918 2.262 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(Cl)c1 ZINC000840902712 680851509 /nfs/dbraw/zinc/85/15/09/680851509.db2.gz SJVOHUGFLDDGEQ-APPDUMDISA-N 1 0 351.834 2.164 20 10 FECDRO CCN(C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1)S(C)(=O)=O ZINC000840918785 680853273 /nfs/dbraw/zinc/85/32/73/680853273.db2.gz YXEBFSJXUXVDCP-UHFFFAOYSA-N 1 0 353.532 2.307 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000840941330 680855325 /nfs/dbraw/zinc/85/53/25/680855325.db2.gz XHTWDPNJEYDUIH-CYBMUJFWSA-N 1 0 358.891 2.354 20 10 FECDRO COc1cc(N2CCN(CC[NH2+]C(C)(C)C)CC2)cc(OC)c1OC ZINC000841021654 680860304 /nfs/dbraw/zinc/86/03/04/680860304.db2.gz LDPXEMCNYAUEDD-UHFFFAOYSA-N 1 0 351.491 2.223 20 10 FECDRO Cc1cc(C[N@H+](C)CCN2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000751934479 680210550 /nfs/dbraw/zinc/21/05/50/680210550.db2.gz OPSCSXFOZDTKBX-UHFFFAOYSA-N 1 0 354.516 2.465 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH2+]CCNS(=O)(=O)c2ccccc2)cc1 ZINC000835036690 680288998 /nfs/dbraw/zinc/28/89/98/680288998.db2.gz NBLGFZYTSPMVRG-SREVYHEPSA-N 1 0 359.495 2.334 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000835049844 680290866 /nfs/dbraw/zinc/29/08/66/680290866.db2.gz MQEPHXSDLXAYHI-WXFDERKXSA-N 1 0 351.516 2.073 20 10 FECDRO CC[N@H+](CCNC(=O)NCc1cccc(OC)c1O)CCC(F)(F)F ZINC000755849187 680439555 /nfs/dbraw/zinc/43/95/55/680439555.db2.gz HSIXUEMFNHIXOM-UHFFFAOYSA-N 1 0 363.380 2.474 20 10 FECDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000756447740 680479294 /nfs/dbraw/zinc/47/92/94/680479294.db2.gz XXVLCXKKAZADCK-CYBMUJFWSA-N 1 0 364.467 2.301 20 10 FECDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000758504139 680587502 /nfs/dbraw/zinc/58/75/02/680587502.db2.gz GXKJXNMRBJNILQ-UHFFFAOYSA-N 1 0 365.451 2.111 20 10 FECDRO C[NH+](C)[C@@]1(CNC(=O)NCCCSc2nccs2)CCSC1 ZINC000759584348 680657331 /nfs/dbraw/zinc/65/73/31/680657331.db2.gz LVFFGNOBRZWVIK-CQSZACIVSA-N 1 0 360.574 2.362 20 10 FECDRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000766439970 680876919 /nfs/dbraw/zinc/87/69/19/680876919.db2.gz ZJEXVIXJYHLGFF-GUYCJALGSA-N 1 0 351.878 2.448 20 10 FECDRO C[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H]1C[NH3+] ZINC000841707545 680908370 /nfs/dbraw/zinc/90/83/70/680908370.db2.gz VNDIBNNYMSQTGM-DOTOQJQBSA-N 1 0 362.543 2.366 20 10 FECDRO Oc1cc2c(cc1CN1CC[NH+](CCc3cccs3)CC1)[C@@H](O)CO2 ZINC000768443759 680947013 /nfs/dbraw/zinc/94/70/13/680947013.db2.gz UAGRKNLJDCOTSD-SFHVURJKSA-N 1 0 360.479 2.240 20 10 FECDRO CN(C)c1ccc(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)cc1F ZINC000768531543 680949372 /nfs/dbraw/zinc/94/93/72/680949372.db2.gz DVZMKXUQBGBTJG-UHFFFAOYSA-N 1 0 355.454 2.211 20 10 FECDRO O=S(=O)(CC1CC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768575953 680951153 /nfs/dbraw/zinc/95/11/53/680951153.db2.gz PZMIIUOJYGDRMX-UHFFFAOYSA-N 1 0 363.527 2.048 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000842785601 680966368 /nfs/dbraw/zinc/96/63/68/680966368.db2.gz JAXZBCHYWLUNTP-GFCCVEGCSA-N 1 0 359.904 2.446 20 10 FECDRO CSc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842786122 680966460 /nfs/dbraw/zinc/96/64/60/680966460.db2.gz ZNVDVMNLLCYWNO-QGZVFWFLSA-N 1 0 365.524 2.453 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000842786004 680966480 /nfs/dbraw/zinc/96/64/80/680966480.db2.gz RWTGJYGEPSYRQM-GBESFXJTSA-N 1 0 359.495 2.228 20 10 FECDRO COc1cc(Br)cc(CN2CC[NH+](C(C)(C)CO)CC2)c1O ZINC000769444641 680983278 /nfs/dbraw/zinc/98/32/78/680983278.db2.gz AMLFTJLTVMSJJD-UHFFFAOYSA-N 1 0 373.291 2.052 20 10 FECDRO Fc1cc(CN2CCO[C@@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000843417593 681002917 /nfs/dbraw/zinc/00/29/17/681002917.db2.gz JPLXAWVOGVKDQQ-SFHVURJKSA-N 1 0 352.475 2.370 20 10 FECDRO C[C@@H](C[NH3+])NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843469960 681005301 /nfs/dbraw/zinc/00/53/01/681005301.db2.gz GNIPTXSFRMCSKY-MJWAUXSNSA-N 1 0 369.537 2.193 20 10 FECDRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000773102684 681125611 /nfs/dbraw/zinc/12/56/11/681125611.db2.gz HSPZFKKWYQGJAQ-CHWSQXEVSA-N 1 0 360.907 2.260 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000775370328 681301862 /nfs/dbraw/zinc/30/18/62/681301862.db2.gz UQNIIFKGFBVMOX-KZULUSFZSA-N 1 0 365.451 2.189 20 10 FECDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000775380860 681302646 /nfs/dbraw/zinc/30/26/46/681302646.db2.gz YMPCFMJSWQOAOA-RRFJBIMHSA-N 1 0 372.506 2.352 20 10 FECDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000775644599 681320733 /nfs/dbraw/zinc/32/07/33/681320733.db2.gz QEODNFFDDVEYMW-GFCCVEGCSA-N 1 0 350.440 2.241 20 10 FECDRO CC1(C)CN(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591208 681400396 /nfs/dbraw/zinc/40/03/96/681400396.db2.gz RSRSLFFPHQDIFU-MRXNPFEDSA-N 1 0 365.905 2.468 20 10 FECDRO Cn1c(Cl)ncc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000848530294 681572887 /nfs/dbraw/zinc/57/28/87/681572887.db2.gz YLEYGCUFDACEQU-UHFFFAOYSA-N 1 0 352.841 2.464 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[NH+](C(C)(C)CO)CC2)c1 ZINC000781908337 681987788 /nfs/dbraw/zinc/98/77/88/681987788.db2.gz IESRZGWMQHMMIG-UHFFFAOYSA-N 1 0 357.292 2.352 20 10 FECDRO COc1cc(Br)cc(C[N@H+](CCO)C2CCOCC2)c1O ZINC000783718948 682169469 /nfs/dbraw/zinc/16/94/69/682169469.db2.gz VOMSTESVHLFGQU-UHFFFAOYSA-N 1 0 360.248 2.137 20 10 FECDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000852630769 682311230 /nfs/dbraw/zinc/31/12/30/682311230.db2.gz XSHXKIYSTMSUOG-ZDUSSCGKSA-N 1 0 356.264 2.438 20 10 FECDRO Oc1cccc(Br)c1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000858194472 682943179 /nfs/dbraw/zinc/94/31/79/682943179.db2.gz GNEAJFOMAKJISY-ZDUSSCGKSA-N 1 0 355.276 2.498 20 10 FECDRO C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)c(F)cc1[O-] ZINC000925813770 683040235 /nfs/dbraw/zinc/04/02/35/683040235.db2.gz YKDFHXDYZBNVKT-SNVBAGLBSA-N 1 0 360.271 2.368 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC(F)(F)CC1)cc2=O ZINC000859536965 683124713 /nfs/dbraw/zinc/12/47/13/683124713.db2.gz OEKYYFDBZAXNSQ-UHFFFAOYSA-N 1 0 354.357 2.233 20 10 FECDRO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000797070802 683220381 /nfs/dbraw/zinc/22/03/81/683220381.db2.gz SRRPKDXSRIMKGH-KBPBESRZSA-N 1 0 370.490 2.279 20 10 FECDRO COC(=O)[C@]12C[N@H+](Cc3cc(F)c(N(C)C)cc3F)C[C@H]1COCC2 ZINC000862350894 683575194 /nfs/dbraw/zinc/57/51/94/683575194.db2.gz ICLIKSRMOCPXGR-SCLBCKFNSA-N 1 0 354.397 2.042 20 10 FECDRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921827323 683584356 /nfs/dbraw/zinc/58/43/56/683584356.db2.gz YYPDJCAKQRBTKB-UHFFFAOYSA-N 1 0 350.484 2.058 20 10 FECDRO CO[C@@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCS(=O)(=O)C1 ZINC000922613998 683753796 /nfs/dbraw/zinc/75/37/96/683753796.db2.gz ANQOPOSVPAZIJH-LJQANCHMSA-N 1 0 361.463 2.353 20 10 FECDRO CCON1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000924759749 684487365 /nfs/dbraw/zinc/48/73/65/684487365.db2.gz LZBVLJSHVKTLTF-UHFFFAOYSA-N 1 0 351.466 2.292 20 10 FECDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCOC1 ZINC000872036055 684916571 /nfs/dbraw/zinc/91/65/71/684916571.db2.gz RSEXSTIAYHGYBP-HKUYNNGSSA-N 1 0 366.527 2.216 20 10 FECDRO CC(C)(O)C[C@@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000872199605 684926460 /nfs/dbraw/zinc/92/64/60/684926460.db2.gz IMNSPGSMBMRIMH-OAHLLOKOSA-N 1 0 358.429 2.368 20 10 FECDRO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000873024250 685052755 /nfs/dbraw/zinc/05/27/55/685052755.db2.gz LYVXZWDQZXYLJX-DOTOQJQBSA-N 1 0 352.500 2.141 20 10 FECDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)OC ZINC000877031214 686314719 /nfs/dbraw/zinc/31/47/19/686314719.db2.gz RRCLOYKSQPTRLI-YJBOKZPZSA-N 1 0 354.516 2.072 20 10 FECDRO CO[C@]1(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCOC1 ZINC000877034063 686315419 /nfs/dbraw/zinc/31/54/19/686315419.db2.gz XGIXADLEZJWRRD-AEFFLSMTSA-N 1 0 354.878 2.405 20 10 FECDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCN3CC(F)F)cc2)CC1 ZINC000877651158 686429869 /nfs/dbraw/zinc/42/98/69/686429869.db2.gz GRBMYICCXAQMTL-QGZVFWFLSA-N 1 0 353.457 2.467 20 10 FECDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCN3CC(F)F)cc2)CC1 ZINC000877651156 686429922 /nfs/dbraw/zinc/42/99/22/686429922.db2.gz GRBMYICCXAQMTL-KRWDZBQOSA-N 1 0 353.457 2.467 20 10 FECDRO Cc1cccc(O)c1C[NH2+]Cc1c(I)cnn1C ZINC000877776493 686453617 /nfs/dbraw/zinc/45/36/17/686453617.db2.gz MXQRLXZBRWFNTM-UHFFFAOYSA-N 1 0 357.195 2.329 20 10 FECDRO CCc1nc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000881851434 687234508 /nfs/dbraw/zinc/23/45/08/687234508.db2.gz KCLWZNGEFNRPLB-UHFFFAOYSA-N 1 0 358.511 2.316 20 10 FECDRO C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000883369964 687616280 /nfs/dbraw/zinc/61/62/80/687616280.db2.gz DEWOEGCJJFLHKY-RDJZCZTQSA-N 1 0 367.921 2.493 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCSC3)cc2)CC1 ZINC000883697857 687703728 /nfs/dbraw/zinc/70/37/28/687703728.db2.gz QTEFSHDHEVAZBV-KRWDZBQOSA-N 1 0 362.543 2.381 20 10 FECDRO Cc1cnc(Cl)c(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000886885447 688332409 /nfs/dbraw/zinc/33/24/09/688332409.db2.gz VVPAUJGQOHJEOD-CQSZACIVSA-N 1 0 368.890 2.088 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000890759432 688962653 /nfs/dbraw/zinc/96/26/53/688962653.db2.gz BLYCOOCVBXQHNG-LJQANCHMSA-N 1 0 360.841 2.299 20 10 FECDRO CN(C)c1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C)cc1 ZINC000891247391 689039628 /nfs/dbraw/zinc/03/96/28/689039628.db2.gz JTPZOMFNVXEDES-INIZCTEOSA-N 1 0 350.463 2.307 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C)cc1 ZINC000891247392 689039719 /nfs/dbraw/zinc/03/97/19/689039719.db2.gz JTPZOMFNVXEDES-MRXNPFEDSA-N 1 0 350.463 2.307 20 10 FECDRO C[C@H]1C[NH+](CCCNC(=O)NCc2cccc(Cl)c2O)C[C@H](C)O1 ZINC000891728282 689098021 /nfs/dbraw/zinc/09/80/21/689098021.db2.gz MJYBOWDEXKQAHU-STQMWFEESA-N 1 0 355.866 2.344 20 10 FECDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(O)c1OC ZINC000891856362 689118158 /nfs/dbraw/zinc/11/81/58/689118158.db2.gz UDKSHPQQFBHSQM-CQSZACIVSA-N 1 0 350.459 2.394 20 10 FECDRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894199878 689485500 /nfs/dbraw/zinc/48/55/00/689485500.db2.gz RYDVBHCLMOTNKI-UHFFFAOYSA-N 1 0 364.467 2.048 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1OC ZINC000897176230 689985054 /nfs/dbraw/zinc/98/50/54/689985054.db2.gz QEQGDFMATHCAII-HNNXBMFYSA-N 1 0 351.443 2.163 20 10 FECDRO CN(C)c1ccc([C@@H](CNc2ccccc2S(N)(=O)=O)[NH+](C)C)cc1 ZINC000897521117 690033675 /nfs/dbraw/zinc/03/36/75/690033675.db2.gz CRVWZDDNYAGCSX-QGZVFWFLSA-N 1 0 362.499 2.115 20 10 FECDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000897692209 690064313 /nfs/dbraw/zinc/06/43/13/690064313.db2.gz PTBDPDARVDKKNS-IBGZPJMESA-N 1 0 350.459 2.471 20 10 FECDRO COc1cccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1O ZINC000898724621 690237748 /nfs/dbraw/zinc/23/77/48/690237748.db2.gz OSFBWQFQULSPNM-NSHDSACASA-N 1 0 352.232 2.464 20 10 FECDRO C[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C[C@H](C)O ZINC000899102505 690304450 /nfs/dbraw/zinc/30/44/50/690304450.db2.gz QBAQPYKKMGUVEO-VKJFTORMSA-N 1 0 350.507 2.062 20 10 FECDRO O=S1(=O)C[C@H]2C[N@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C[C@H]2C1 ZINC000902616012 690787188 /nfs/dbraw/zinc/78/71/88/690787188.db2.gz XEGIUAQAQHKSAM-BETUJISGSA-N 1 0 361.463 2.494 20 10 FECDRO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000903261776 690876377 /nfs/dbraw/zinc/87/63/77/690876377.db2.gz XUZUTYWBOOYJSC-IYXRBSQSSA-N 1 0 351.878 2.481 20 10 FECDRO CCN(CC)c1ccc(CNS(=O)(=O)CC2CC[NH2+]CC2)cc1F ZINC000905335676 691103125 /nfs/dbraw/zinc/10/31/25/691103125.db2.gz JLJOKJPRCFMNHG-UHFFFAOYSA-N 1 0 357.495 2.091 20 10 FECDRO CCn1cc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000905530290 691133936 /nfs/dbraw/zinc/13/39/36/691133936.db2.gz PCDGHQQJHRIHNQ-UHFFFAOYSA-N 1 0 358.515 2.141 20 10 FECDRO O=C1NCCN1C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824474179 675604853 /nfs/dbraw/zinc/60/48/53/675604853.db2.gz JMQRDMUQYXHZKX-UHFFFAOYSA-N 1 0 354.248 2.144 20 10 FECDRO Cc1cc(NC(=O)CC[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)no1 ZINC000070758498 541742115 /nfs/dbraw/zinc/74/21/15/541742115.db2.gz UTRAKEDDADGXKJ-UHFFFAOYSA-N 1 0 358.442 2.280 20 10 FECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000827001057 675722456 /nfs/dbraw/zinc/72/24/56/675722456.db2.gz RVVAYEBFSLAAEJ-CYBMUJFWSA-N 1 0 355.232 2.490 20 10 FECDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000075860801 542210611 /nfs/dbraw/zinc/21/06/11/542210611.db2.gz XSGUJXJNXJKLJT-UHFFFAOYSA-N 1 0 354.498 2.461 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccn(C)c3)cc2F)CC1 ZINC000081503019 542661051 /nfs/dbraw/zinc/66/10/51/542661051.db2.gz HGWPKNYHVIKZNI-UHFFFAOYSA-N 1 0 373.476 2.306 20 10 FECDRO CCOCCNC(=O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000084696383 542719372 /nfs/dbraw/zinc/71/93/72/542719372.db2.gz YJCAZXUUXVTLPS-UHFFFAOYSA-N 1 0 359.264 2.129 20 10 FECDRO CCN(CC)c1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000091964012 542834113 /nfs/dbraw/zinc/83/41/13/542834113.db2.gz OJLIOLNECRAJTG-UHFFFAOYSA-N 1 0 353.532 2.389 20 10 FECDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092188235 542847275 /nfs/dbraw/zinc/84/72/75/542847275.db2.gz IFDFCKWFSOQTKT-CYBMUJFWSA-N 1 0 354.248 2.144 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1O ZINC000092672581 542880733 /nfs/dbraw/zinc/88/07/33/542880733.db2.gz KVKCNMNHCVRYQE-HNNXBMFYSA-N 1 0 350.484 2.331 20 10 FECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000123814085 543784850 /nfs/dbraw/zinc/78/48/50/543784850.db2.gz YVJGRYHPZGDSJC-GOSISDBHSA-N 1 0 369.513 2.057 20 10 FECDRO C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](C)O1 ZINC000125226472 543868722 /nfs/dbraw/zinc/86/87/22/543868722.db2.gz XQZBTQQMCZVZTL-QZTJIDSGSA-N 1 0 372.513 2.361 20 10 FECDRO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153342522 544763361 /nfs/dbraw/zinc/76/33/61/544763361.db2.gz KEEBNZICYCXVKX-DLBZAZTESA-N 1 0 365.493 2.281 20 10 FECDRO CN(Cc1ccccc1O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000153689542 544809583 /nfs/dbraw/zinc/80/95/83/544809583.db2.gz HLOSJMGBMRUSDN-UHFFFAOYSA-N 1 0 358.442 2.069 20 10 FECDRO O=S(=O)(N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1)C(F)(F)F ZINC000153886736 544835859 /nfs/dbraw/zinc/83/58/59/544835859.db2.gz NNWCINBQUKPCGY-UHFFFAOYSA-N 1 0 372.796 2.449 20 10 FECDRO C[C@](O)(C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000804461348 674288203 /nfs/dbraw/zinc/28/82/03/674288203.db2.gz XNBPKCPMTLPCJQ-CRAIPNDOSA-N 1 0 352.862 2.287 20 10 FECDRO O=C(NCc1cc(Br)ccc1O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000805180777 674324295 /nfs/dbraw/zinc/32/42/95/674324295.db2.gz CQRFHLQDLCMRJY-LLVKDONJSA-N 1 0 368.275 2.438 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000478032660 561158602 /nfs/dbraw/zinc/15/86/02/561158602.db2.gz UMVMIYUSOMGBNS-LFUKPOHLSA-N 1 0 353.466 2.169 20 10 FECDRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183045799 547591399 /nfs/dbraw/zinc/59/13/99/547591399.db2.gz AHBZCQITCYTDRW-CHWSQXEVSA-N 1 0 362.442 2.280 20 10 FECDRO CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(=O)N1CCOCC1 ZINC000185664628 548017479 /nfs/dbraw/zinc/01/74/79/548017479.db2.gz ZNGNNXQDXRYVHH-FZMZJTMJSA-N 1 0 371.275 2.443 20 10 FECDRO COc1ccc(O)c(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000190313835 548322547 /nfs/dbraw/zinc/32/25/47/548322547.db2.gz NWXCBMXXGYRVAS-NRFANRHFSA-N 1 0 356.466 2.470 20 10 FECDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000246525437 549153591 /nfs/dbraw/zinc/15/35/91/549153591.db2.gz RPHHMDUCSDYBSG-KBPBESRZSA-N 1 0 353.413 2.373 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247984849 549398345 /nfs/dbraw/zinc/39/83/45/549398345.db2.gz IRSRQMLIUBLMDV-UYAOXDASSA-N 1 0 358.530 2.127 20 10 FECDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000263799133 549938484 /nfs/dbraw/zinc/93/84/84/549938484.db2.gz LMPFRLRZVFGMKH-LBPRGKRZSA-N 1 0 350.415 2.468 20 10 FECDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264354270 549994673 /nfs/dbraw/zinc/99/46/73/549994673.db2.gz MWPBTCHSPNOPDG-QGZVFWFLSA-N 1 0 373.545 2.063 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C1CCC(OC)CC1)cc2=O ZINC000265263767 550008022 /nfs/dbraw/zinc/00/80/22/550008022.db2.gz YYIZSNZRBRGPPE-UHFFFAOYSA-N 1 0 362.430 2.001 20 10 FECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165395 550036989 /nfs/dbraw/zinc/03/69/89/550036989.db2.gz PMNWRBWZVQYLPU-OXQOHEQNSA-N 1 0 372.513 2.147 20 10 FECDRO CC(C)[NH+]1CCC(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000269328443 550181755 /nfs/dbraw/zinc/18/17/55/550181755.db2.gz LTWXQHCAHZCSLB-UHFFFAOYSA-N 1 0 361.486 2.111 20 10 FECDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCC[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000269365319 550186119 /nfs/dbraw/zinc/18/61/19/550186119.db2.gz VLSOMPGTMNZOPK-QEEYODRMSA-N 1 0 363.477 2.445 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1O ZINC000272456181 550449803 /nfs/dbraw/zinc/44/98/03/550449803.db2.gz XEXJLSQPEMCPBK-ZBFHGGJFSA-N 1 0 359.875 2.180 20 10 FECDRO C[C@H]1C[N@H+](CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCO1 ZINC000277826443 550718479 /nfs/dbraw/zinc/71/84/79/550718479.db2.gz XIOCQPVMZSUOEK-KRWDZBQOSA-N 1 0 362.518 2.395 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C2(COC)CC[NH2+]CC2)cc1F ZINC000279868679 550937854 /nfs/dbraw/zinc/93/78/54/550937854.db2.gz CVFNPQGQASSGBF-UHFFFAOYSA-N 1 0 351.466 2.304 20 10 FECDRO CC[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N(C)C)cc1 ZINC000280946033 551048212 /nfs/dbraw/zinc/04/82/12/551048212.db2.gz JEVWZLDZGXKZGT-RDTXWAMCSA-N 1 0 355.486 2.351 20 10 FECDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000284546013 551574595 /nfs/dbraw/zinc/57/45/95/551574595.db2.gz XSQIGDRBRZSNFX-ZSZQSSIHSA-N 1 0 368.493 2.471 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)cc1OC ZINC000289529582 552336073 /nfs/dbraw/zinc/33/60/73/552336073.db2.gz HOLDAJGFTGXQCS-AWEZNQCLSA-N 1 0 352.431 2.462 20 10 FECDRO COc1cc(O)c(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1OC ZINC000295118773 552960881 /nfs/dbraw/zinc/96/08/81/552960881.db2.gz MUUDUVRUACPLAO-LAQFHYBYSA-N 1 0 364.442 2.364 20 10 FECDRO O=C([C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000296548113 553177780 /nfs/dbraw/zinc/17/77/80/553177780.db2.gz SRVNDKITTQBRNX-RTBURBONSA-N 1 0 366.461 2.439 20 10 FECDRO CCC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1O ZINC000299612422 553588939 /nfs/dbraw/zinc/58/89/39/553588939.db2.gz HUMCVEUUMUSDCF-UHFFFAOYSA-N 1 0 364.467 2.331 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)cc1OC ZINC000362379863 554967749 /nfs/dbraw/zinc/96/77/49/554967749.db2.gz KNNICDRJYIDRJD-UHFFFAOYSA-N 1 0 371.437 2.153 20 10 FECDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(C)n1-c1ccccn1 ZINC000363735775 555175006 /nfs/dbraw/zinc/17/50/06/555175006.db2.gz WLHJPDRZSWGGDU-GOSISDBHSA-N 1 0 368.481 2.472 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000364534960 555331563 /nfs/dbraw/zinc/33/15/63/555331563.db2.gz YYDGEQIGWMNMGT-GFCCVEGCSA-N 1 0 353.220 2.202 20 10 FECDRO COc1cc(O)c(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1OC ZINC000365830677 555677914 /nfs/dbraw/zinc/67/79/14/555677914.db2.gz KXZOEORUYSBLAC-CQSZACIVSA-N 1 0 350.459 2.095 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCCC13CCOCC3)cc2=O ZINC000367108973 556001553 /nfs/dbraw/zinc/00/15/53/556001553.db2.gz SKPLFQMWHPTPGE-HNNXBMFYSA-N 1 0 374.441 2.051 20 10 FECDRO NC(=O)Cc1occc1C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000367605833 556095542 /nfs/dbraw/zinc/09/55/42/556095542.db2.gz HWHBKDSQNBSPNZ-UHFFFAOYSA-N 1 0 353.422 2.106 20 10 FECDRO Cc1noc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000514906615 561985924 /nfs/dbraw/zinc/98/59/24/561985924.db2.gz NUFQLACSMCDFOB-UHFFFAOYSA-N 1 0 367.453 2.416 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1OC ZINC000368226060 556253195 /nfs/dbraw/zinc/25/31/95/556253195.db2.gz JUBIZRHYLXESJJ-MAUKXSAKSA-N 1 0 351.443 2.209 20 10 FECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(N)=O)C2)c(O)c1 ZINC000369035303 556483309 /nfs/dbraw/zinc/48/33/09/556483309.db2.gz LECIMOIHBGDXHI-CQSZACIVSA-N 1 0 358.442 2.383 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@]3(CCCCO3)C1)cc2=O ZINC000369670087 556664454 /nfs/dbraw/zinc/66/44/54/556664454.db2.gz IWEVXIIKTIEQQP-IBGZPJMESA-N 1 0 374.441 2.147 20 10 FECDRO O=CN1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000377075931 558261033 /nfs/dbraw/zinc/26/10/33/558261033.db2.gz DDPOWODZZUHXNG-UHFFFAOYSA-N 1 0 353.413 2.467 20 10 FECDRO CCc1nc(CN2CCC[C@H]([N@H+](C)Cc3cccc(OC)c3O)C2)no1 ZINC000378343338 558534359 /nfs/dbraw/zinc/53/43/59/558534359.db2.gz SZJPFIRVFGFNRF-HNNXBMFYSA-N 1 0 360.458 2.443 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000472121096 561018672 /nfs/dbraw/zinc/01/86/72/561018672.db2.gz YJGGYGAKYQTXRO-UHFFFAOYSA-N 1 0 371.529 2.312 20 10 FECDRO Oc1ccccc1C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@H]1CCCO1 ZINC000826511383 607520752 /nfs/dbraw/zinc/52/07/52/607520752.db2.gz NDEOCGHJUOVAAU-MRXNPFEDSA-N 1 0 366.425 2.149 20 10 FECDRO CC[C@@H](CSC)[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000091098518 670718960 /nfs/dbraw/zinc/71/89/60/670718960.db2.gz HRWNIUFMWKOXNJ-INIZCTEOSA-N 1 0 365.543 2.417 20 10 FECDRO O=C(NCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)F ZINC000091619271 670729581 /nfs/dbraw/zinc/72/95/81/670729581.db2.gz HXGPRTPLDYCNIX-AWEZNQCLSA-N 1 0 360.376 2.442 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1O ZINC000093808532 670755915 /nfs/dbraw/zinc/75/59/15/670755915.db2.gz IFRNOBAOYWXLLQ-JTQLQIEISA-N 1 0 357.248 2.251 20 10 FECDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000108557718 670830372 /nfs/dbraw/zinc/83/03/72/670830372.db2.gz WMHAKONXZHRSDJ-KRWDZBQOSA-N 1 0 362.543 2.381 20 10 FECDRO C[NH+]1CCN(C[C@@H](O)COc2ccc(N3CCCCC3)c(Cl)c2)CC1 ZINC000817570924 675148007 /nfs/dbraw/zinc/14/80/07/675148007.db2.gz JWRKRMLWHMOSLE-MRXNPFEDSA-N 1 0 367.921 2.317 20 10 FECDRO CCc1cc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000116869942 670908799 /nfs/dbraw/zinc/90/87/99/670908799.db2.gz MVNPIMQPGSBFHI-OAHLLOKOSA-N 1 0 354.516 2.376 20 10 FECDRO COCC[N@H+]1[C@H](C)CN(C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000130863997 672080870 /nfs/dbraw/zinc/08/08/70/672080870.db2.gz CTURHYWZQMIAQW-OKILXGFUSA-N 1 0 372.560 2.376 20 10 FECDRO C[C@@H]1C[NH+](CCCNC(=O)NCCCSc2nccs2)C[C@@H](C)O1 ZINC000151944949 672172299 /nfs/dbraw/zinc/17/22/99/672172299.db2.gz JDVFJBQSHBRYFG-ZIAGYGMSSA-N 1 0 372.560 2.424 20 10 FECDRO C[N@H+](CCCO)C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154610363 672219233 /nfs/dbraw/zinc/21/92/33/672219233.db2.gz QQSACYAMZGPZEP-UHFFFAOYSA-N 1 0 372.560 2.114 20 10 FECDRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000186166936 672542860 /nfs/dbraw/zinc/54/28/60/672542860.db2.gz QMPGXSCHBGBWNY-KGLIPLIRSA-N 1 0 352.500 2.203 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1F ZINC000818985799 675249978 /nfs/dbraw/zinc/24/99/78/675249978.db2.gz ZYSJRDLQXCVVTO-CQSZACIVSA-N 1 0 355.454 2.209 20 10 FECDRO CC[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000824608787 675613185 /nfs/dbraw/zinc/61/31/85/675613185.db2.gz QPSZXLBWKNQXTK-TZMCWYRMSA-N 1 0 367.389 2.001 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000825406470 675651414 /nfs/dbraw/zinc/65/14/14/675651414.db2.gz SNYCDLZDQQQGKN-XJKSGUPXSA-N 1 0 359.875 2.180 20 10 FECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000827544673 675763983 /nfs/dbraw/zinc/76/39/83/675763983.db2.gz HYHGZRBRUSYRJH-GOEBONIOSA-N 1 0 350.434 2.293 20 10 FECDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)cc1 ZINC000839181228 680743399 /nfs/dbraw/zinc/74/33/99/680743399.db2.gz WXJFSFFFBDWICV-KRWDZBQOSA-N 1 0 357.483 2.127 20 10 FECDRO COc1cccc(O)c1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000763470621 680783783 /nfs/dbraw/zinc/78/37/83/680783783.db2.gz MZRXEPUKLXZMPZ-UHFFFAOYSA-N 1 0 362.451 2.231 20 10 FECDRO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000840103155 680798574 /nfs/dbraw/zinc/79/85/74/680798574.db2.gz BKPYAHGMXIMAGT-XMMPIXPASA-N 1 0 353.484 2.285 20 10 FECDRO C[C@@H]1C[N@H+](CCCNC(=O)NCCCSc2nccs2)CCCO1 ZINC000764460649 680810162 /nfs/dbraw/zinc/81/01/62/680810162.db2.gz FNBAHCSZTOHDEM-CQSZACIVSA-N 1 0 372.560 2.425 20 10 FECDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000764792931 680821382 /nfs/dbraw/zinc/82/13/82/680821382.db2.gz ZYXSPTJMRKUDST-NSHDSACASA-N 1 0 356.264 2.296 20 10 FECDRO COCCNC(=O)C1([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000840822686 680844833 /nfs/dbraw/zinc/84/48/33/680844833.db2.gz OCLMAMHVZWRAQG-SNVBAGLBSA-N 1 0 357.248 2.101 20 10 FECDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)c2cccs2)c(Cl)c1 ZINC000840907185 680851941 /nfs/dbraw/zinc/85/19/41/680851941.db2.gz MZBHRUDCBWFYIE-UHFFFAOYSA-N 1 0 360.888 2.484 20 10 FECDRO CC[C@@H](C)NC(=S)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000749763319 680073356 /nfs/dbraw/zinc/07/33/56/680073356.db2.gz PJTCYSYGVXEYMZ-MRXNPFEDSA-N 1 0 364.559 2.470 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(Cl)nc(N(C)C)c2)cc1 ZINC000832274065 680119372 /nfs/dbraw/zinc/11/93/72/680119372.db2.gz RLQCWIGTQWRCJE-HNNXBMFYSA-N 1 0 361.877 2.297 20 10 FECDRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(Br)cc1O ZINC000756405242 680477124 /nfs/dbraw/zinc/47/71/24/680477124.db2.gz YLSPDRXUMKEECP-JTQLQIEISA-N 1 0 365.293 2.087 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)ccc1O ZINC000756639862 680489972 /nfs/dbraw/zinc/48/99/72/680489972.db2.gz HAMAJBMMKVHUHN-SECBINFHSA-N 1 0 350.216 2.499 20 10 FECDRO COc1ccc(N2CCN(C(=O)NCCC[NH2+]C(C)C)CC2)cc1F ZINC000841931808 680917826 /nfs/dbraw/zinc/91/78/26/680917826.db2.gz HNDBTLFAHQQUMW-UHFFFAOYSA-N 1 0 352.454 2.054 20 10 FECDRO O=C(NCCC1=CC[NH2+]CC1)NCc1cccc(Br)c1O ZINC000841989901 680920425 /nfs/dbraw/zinc/92/04/25/680920425.db2.gz UVPIZWIWBUIRAS-UHFFFAOYSA-N 1 0 354.248 2.264 20 10 FECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)Cc2ccccc2F)cc1 ZINC000842785099 680966300 /nfs/dbraw/zinc/96/63/00/680966300.db2.gz OTJOWLHBGXDXKA-KRWDZBQOSA-N 1 0 351.447 2.011 20 10 FECDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000769533374 680986192 /nfs/dbraw/zinc/98/61/92/680986192.db2.gz NOLSAZGXXAXDGU-SFHVURJKSA-N 1 0 351.516 2.191 20 10 FECDRO COc1cccc([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1O ZINC000846145271 681188899 /nfs/dbraw/zinc/18/88/99/681188899.db2.gz PFDSWPIZCIFIHE-KBXCAEBGSA-N 1 0 352.500 2.259 20 10 FECDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000774482601 681193897 /nfs/dbraw/zinc/19/38/97/681193897.db2.gz GZYYBBQVBQAARZ-GHMZBOCLSA-N 1 0 360.380 2.180 20 10 FECDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000775998620 681355771 /nfs/dbraw/zinc/35/57/71/681355771.db2.gz GZIGKLJQFNCUKG-QWHCGFSZSA-N 1 0 352.431 2.366 20 10 FECDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848524716 681571328 /nfs/dbraw/zinc/57/13/28/681571328.db2.gz LLSPJVZCQMUNHR-SECBINFHSA-N 1 0 366.277 2.249 20 10 FECDRO Cn1c(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cnc1Cl ZINC000848556132 681577690 /nfs/dbraw/zinc/57/76/90/681577690.db2.gz NPBFUPZECCXUPC-UHFFFAOYSA-N 1 0 356.804 2.478 20 10 FECDRO COc1ccc(N2CC[C@H](NC(=S)NCC3CC[NH+](C)CC3)C2)cc1 ZINC000849270513 681674246 /nfs/dbraw/zinc/67/42/46/681674246.db2.gz HDLLUGMGWUPWBG-INIZCTEOSA-N 1 0 362.543 2.080 20 10 FECDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849271483 681674781 /nfs/dbraw/zinc/67/47/81/681674781.db2.gz LEWTWCSZWDNSPB-DOTOQJQBSA-N 1 0 362.543 2.222 20 10 FECDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849271484 681674863 /nfs/dbraw/zinc/67/48/63/681674863.db2.gz LEWTWCSZWDNSPB-NVXWUHKLSA-N 1 0 362.543 2.222 20 10 FECDRO COc1cc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850024969 681842477 /nfs/dbraw/zinc/84/24/77/681842477.db2.gz JBYDKJBBFQVESL-UHFFFAOYSA-N 1 0 370.515 2.212 20 10 FECDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000850355745 681890240 /nfs/dbraw/zinc/89/02/40/681890240.db2.gz JOTQCGRKZVUZRI-MJGOQNOKSA-N 1 0 366.527 2.215 20 10 FECDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCC(CS(C)(=O)=O)CC3)C2)cc1 ZINC000850487474 681906545 /nfs/dbraw/zinc/90/65/45/681906545.db2.gz NNTBPXGDEDYGAQ-OFLPRAFFSA-N 1 0 366.527 2.467 20 10 FECDRO COc1ccc(N2CC[C@H]([NH2+]C3CCC(CS(C)(=O)=O)CC3)C2)cc1 ZINC000850487473 681906740 /nfs/dbraw/zinc/90/67/40/681906740.db2.gz NNTBPXGDEDYGAQ-JCYILVPMSA-N 1 0 366.527 2.467 20 10 FECDRO CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Br)ccc1O ZINC000850507418 681909798 /nfs/dbraw/zinc/90/97/98/681909798.db2.gz JJFMNQLFWIOGHA-GOEBONIOSA-N 1 0 374.275 2.363 20 10 FECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c1O ZINC000850510986 681910589 /nfs/dbraw/zinc/91/05/89/681910589.db2.gz ZANMREMSZGYFLB-MLGOLLRUSA-N 1 0 374.275 2.282 20 10 FECDRO COc1cc(N2CC[NH+]([C@@H]3CCO[C@H](C)C3)CC2)cc(OC)c1OC ZINC000851935632 682187751 /nfs/dbraw/zinc/18/77/51/682187751.db2.gz FDSYAZVRANMRIM-HUUCEWRRSA-N 1 0 350.459 2.402 20 10 FECDRO CCOC(=O)c1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)s1 ZINC000853348495 682407447 /nfs/dbraw/zinc/40/74/47/682407447.db2.gz JEGLAGGNXXUJAE-SECBINFHSA-N 1 0 353.473 2.067 20 10 FECDRO COc1cc([N+](=O)[O-])c(N2CCO[C@H](CCC[NH+](C)C)C2)cc1OC ZINC000853990366 682499828 /nfs/dbraw/zinc/49/98/28/682499828.db2.gz MOWPMXUHHGFAMQ-CYBMUJFWSA-N 1 0 353.419 2.159 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1O ZINC000788467438 682531983 /nfs/dbraw/zinc/53/19/83/682531983.db2.gz HKGIJTPCPYZEJA-ROUUACIJSA-N 1 0 350.434 2.467 20 10 FECDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c(O)c1 ZINC000788594547 682541508 /nfs/dbraw/zinc/54/15/08/682541508.db2.gz WBBMCCJTZUYQBN-OAHLLOKOSA-N 1 0 354.516 2.169 20 10 FECDRO Cc1cc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793595506 682898399 /nfs/dbraw/zinc/89/83/99/682898399.db2.gz YAZCDYALNUSLDZ-OAHLLOKOSA-N 1 0 354.516 2.464 20 10 FECDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCS1(=O)=O ZINC000858280805 682952348 /nfs/dbraw/zinc/95/23/48/682952348.db2.gz DSBVGDLRISHKGR-QMTHXVAHSA-N 1 0 350.406 2.437 20 10 FECDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858326100 682957440 /nfs/dbraw/zinc/95/74/40/682957440.db2.gz UKSZTTGAJHZMPV-CYBMUJFWSA-N 1 0 350.419 2.083 20 10 FECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)c2ccnn2C)c1O ZINC000858435614 682968239 /nfs/dbraw/zinc/96/82/39/682968239.db2.gz MWFZQQWKTHEWAV-CABZTGNLSA-N 1 0 370.247 2.281 20 10 FECDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000795834800 683096475 /nfs/dbraw/zinc/09/64/75/683096475.db2.gz WMHPKDYJAVTQJU-JYJNAYRXSA-N 1 0 368.905 2.472 20 10 FECDRO Nc1c(Cl)cc(N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)cc1Cl ZINC000927217458 683221491 /nfs/dbraw/zinc/22/14/91/683221491.db2.gz WOESYLADKARQQO-LBPRGKRZSA-N 1 0 357.241 2.486 20 10 FECDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000797605369 683261216 /nfs/dbraw/zinc/26/12/16/683261216.db2.gz QAOSFNJBUJUKLR-HNNXBMFYSA-N 1 0 357.248 2.121 20 10 FECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1CN(S(C)(=O)=O)C1 ZINC000929184396 683559368 /nfs/dbraw/zinc/55/93/68/683559368.db2.gz KRIZJVSBPWJBGV-UHFFFAOYSA-N 1 0 351.516 2.000 20 10 FECDRO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921733489 683560362 /nfs/dbraw/zinc/56/03/62/683560362.db2.gz CASPNCHCMYNSBZ-MRXNPFEDSA-N 1 0 355.360 2.285 20 10 FECDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c(O)cccc1Br ZINC000862335044 683573248 /nfs/dbraw/zinc/57/32/48/683573248.db2.gz XCPLBSRUIRITQR-LBPRGKRZSA-N 1 0 357.292 2.432 20 10 FECDRO COC(=O)c1cnc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000922837658 683790893 /nfs/dbraw/zinc/79/08/93/683790893.db2.gz DEXFYULFHPRTGC-UHFFFAOYSA-N 1 0 361.467 2.099 20 10 FECDRO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925167327 684534155 /nfs/dbraw/zinc/53/41/55/684534155.db2.gz PPAWBXOXVATQRR-KGLIPLIRSA-N 1 0 355.891 2.425 20 10 FECDRO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000872199727 684926565 /nfs/dbraw/zinc/92/65/65/684926565.db2.gz ASXKTVUXDGXBGZ-INMHGKMJSA-N 1 0 354.466 2.315 20 10 FECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C(F)(F)F ZINC000872825124 685021169 /nfs/dbraw/zinc/02/11/69/685021169.db2.gz KCXFFCROGONRGR-GHMZBOCLSA-N 1 0 361.316 2.294 20 10 FECDRO CCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000876537992 686216156 /nfs/dbraw/zinc/21/61/56/686216156.db2.gz JCVKIDDDRSCLMP-SFHVURJKSA-N 1 0 366.527 2.047 20 10 FECDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000877706637 686441602 /nfs/dbraw/zinc/44/16/02/686441602.db2.gz IEVNUUNQLJOXRY-IBGZPJMESA-N 1 0 350.434 2.484 20 10 FECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)CC2(O)CCOCC2)cc1 ZINC000877922827 686483680 /nfs/dbraw/zinc/48/36/80/686483680.db2.gz VPDFWMVKWQQJNC-LJQANCHMSA-N 1 0 350.503 2.257 20 10 FECDRO CSc1cccnc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854982 687234863 /nfs/dbraw/zinc/23/48/63/687234863.db2.gz NLAKAFCVHMBPFJ-UHFFFAOYSA-N 1 0 356.495 2.485 20 10 FECDRO [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000883088552 687560867 /nfs/dbraw/zinc/56/08/67/687560867.db2.gz JINWGZPSUDGOHD-UHFFFAOYSA-N 1 0 353.344 2.331 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c(Cl)c1 ZINC000883371481 687616430 /nfs/dbraw/zinc/61/64/30/687616430.db2.gz MDPDUSDKLBMELL-INIZCTEOSA-N 1 0 367.921 2.240 20 10 FECDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000886623753 688284418 /nfs/dbraw/zinc/28/44/18/688284418.db2.gz NFLUTCRTZIBICN-KBPBESRZSA-N 1 0 354.397 2.233 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)c2csc3cncn32)[NH+](C)C)cc1 ZINC000891251869 689040002 /nfs/dbraw/zinc/04/00/02/689040002.db2.gz HTIFXBGCLDCQHX-OAHLLOKOSA-N 1 0 357.483 2.495 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891369178 689055200 /nfs/dbraw/zinc/05/52/00/689055200.db2.gz MMARVMCNKMKNPT-ROUUACIJSA-N 1 0 360.527 2.276 20 10 FECDRO O=C(NCCCSc1nccs1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891675048 689090939 /nfs/dbraw/zinc/09/09/39/689090939.db2.gz XVEWUGDWXZFEQM-CYBMUJFWSA-N 1 0 370.544 2.083 20 10 FECDRO COc1ccc(C[NH2+]C2CCN(CCOC(C)C)CC2)c(O)c1OC ZINC000893101201 689296525 /nfs/dbraw/zinc/29/65/25/689296525.db2.gz KGJHSKXZCHYHOJ-UHFFFAOYSA-N 1 0 352.475 2.388 20 10 FECDRO COc1ccc(O)c(C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894259375 689495667 /nfs/dbraw/zinc/49/56/67/689495667.db2.gz FAWCFCNIWBFNMN-UHFFFAOYSA-N 1 0 373.194 2.029 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCOC(F)F)[NH+](C)C)cc1 ZINC000894658899 689574742 /nfs/dbraw/zinc/57/47/42/689574742.db2.gz PBURASKGPVPMKQ-OAHLLOKOSA-N 1 0 358.433 2.284 20 10 FECDRO COc1cccc(C[NH2+]Cc2cn(C)nc2I)c1O ZINC000894765406 689591818 /nfs/dbraw/zinc/59/18/18/689591818.db2.gz HPRKXKUVQWADDE-UHFFFAOYSA-N 1 0 373.194 2.029 20 10 FECDRO CC[NH+]1CCN(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895714544 689759905 /nfs/dbraw/zinc/75/99/05/689759905.db2.gz FHISNWFMGDKGKZ-UHFFFAOYSA-N 1 0 363.483 2.070 20 10 FECDRO COc1cc(O)c(C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1OC ZINC000896814092 689933864 /nfs/dbraw/zinc/93/38/64/689933864.db2.gz IIGSDSKVMMREIM-UHFFFAOYSA-N 1 0 365.451 2.145 20 10 FECDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897781758 690079374 /nfs/dbraw/zinc/07/93/74/690079374.db2.gz GMXQKJVUUIAUKS-UHFFFAOYSA-N 1 0 365.499 2.268 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000898287319 690154943 /nfs/dbraw/zinc/15/49/43/690154943.db2.gz UQBKKMWLSHPOBH-UHFFFAOYSA-N 1 0 364.467 2.477 20 10 FECDRO CCCCN(CCO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101066 690304332 /nfs/dbraw/zinc/30/43/32/690304332.db2.gz HQPWUTOTXYAQMO-SFHVURJKSA-N 1 0 350.507 2.159 20 10 FECDRO C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(Br)ccc1O ZINC000903431790 690893454 /nfs/dbraw/zinc/89/34/54/690893454.db2.gz BAMSHUMJKIIFHC-JTQLQIEISA-N 1 0 368.231 2.158 20 10 FECDRO COc1cccc(O)c1C[NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000801734420 674146598 /nfs/dbraw/zinc/14/65/98/674146598.db2.gz BCYDAVHBNLBLAS-AWEZNQCLSA-N 1 0 364.467 2.248 20 10 FECDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(N2CCC(O)CC2)cc1 ZINC000089677712 542768499 /nfs/dbraw/zinc/76/84/99/542768499.db2.gz WWZBSYOLFAPUKQ-KKSFZXQISA-N 1 0 359.514 2.162 20 10 FECDRO C[C@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1ccc(N(C)C)cc1 ZINC000090052434 542781611 /nfs/dbraw/zinc/78/16/11/542781611.db2.gz BEZZOEHNDJLXOK-HNNXBMFYSA-N 1 0 353.470 2.498 20 10 FECDRO CCOc1cccc(C[NH+]2CCC(C(=O)NCCCOC)CC2)c1O ZINC000092361962 542859643 /nfs/dbraw/zinc/85/96/43/542859643.db2.gz ZMTLSMIXYRMPKG-UHFFFAOYSA-N 1 0 350.459 2.156 20 10 FECDRO OCCn1nccc1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092811203 542887734 /nfs/dbraw/zinc/88/77/34/542887734.db2.gz YARBONOTTSMZGW-UHFFFAOYSA-N 1 0 370.497 2.092 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127761658 544012166 /nfs/dbraw/zinc/01/21/66/544012166.db2.gz JJUNMFOOIYEPKW-FKIZTMCRSA-N 1 0 369.509 2.481 20 10 FECDRO COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)c3ccncc3)CC2)cc1 ZINC000127497424 543997042 /nfs/dbraw/zinc/99/70/42/543997042.db2.gz DLJJDRNMMZGQAC-KRWDZBQOSA-N 1 0 368.481 2.432 20 10 FECDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156755587 545656739 /nfs/dbraw/zinc/65/67/39/545656739.db2.gz XMIQVGVHMWWZJO-HZPDHXFCSA-N 1 0 351.466 2.034 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000170998683 546185049 /nfs/dbraw/zinc/18/50/49/546185049.db2.gz GWKMSDRJWXKIEC-ZGBFETHSSA-N 1 0 355.482 2.233 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000170998681 546185116 /nfs/dbraw/zinc/18/51/16/546185116.db2.gz GWKMSDRJWXKIEC-AQDCRGGLSA-N 1 0 355.482 2.233 20 10 FECDRO CN(C)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000171841930 546227412 /nfs/dbraw/zinc/22/74/12/546227412.db2.gz SIVRLNOAWATKIV-UHFFFAOYSA-N 1 0 361.458 2.107 20 10 FECDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000175862061 546364283 /nfs/dbraw/zinc/36/42/83/546364283.db2.gz FQJYDUORSLVWQM-LJQANCHMSA-N 1 0 372.513 2.151 20 10 FECDRO Cc1ccc(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(O)c1O ZINC000177680053 546666736 /nfs/dbraw/zinc/66/67/36/546666736.db2.gz SWPILIGBYUGPLD-GASCZTMLSA-N 1 0 362.470 2.368 20 10 FECDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCN4C)C2=O)n(C)n1 ZINC000178938837 546877116 /nfs/dbraw/zinc/87/71/16/546877116.db2.gz IVTMQLPZEZBBEC-QGZVFWFLSA-N 1 0 353.470 2.006 20 10 FECDRO COc1ccc(O)c(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1 ZINC000179627141 546987941 /nfs/dbraw/zinc/98/79/41/546987941.db2.gz OSFLUTOJWICLID-UHFFFAOYSA-N 1 0 352.438 2.366 20 10 FECDRO C[C@H]1C[NH+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000180706805 547163336 /nfs/dbraw/zinc/16/33/36/547163336.db2.gz RUJDLOSTWJVUKP-OYWIFMKISA-N 1 0 360.454 2.211 20 10 FECDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000181555978 547335364 /nfs/dbraw/zinc/33/53/64/547335364.db2.gz IQUXVJGJKOASCT-GOSISDBHSA-N 1 0 351.516 2.191 20 10 FECDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000184080668 547766863 /nfs/dbraw/zinc/76/68/63/547766863.db2.gz IDJMMWVWSCIJHM-INIZCTEOSA-N 1 0 369.513 2.245 20 10 FECDRO COc1cc(Cl)cc(C[NH+]2CCC(N3CCCNC3=O)CC2)c1O ZINC000184698957 547867032 /nfs/dbraw/zinc/86/70/32/547867032.db2.gz ZCEOZRPWVPHQLL-UHFFFAOYSA-N 1 0 353.850 2.434 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186054638 548078829 /nfs/dbraw/zinc/07/88/29/548078829.db2.gz IRFCWFQVMVEIJK-FZKQIMNGSA-N 1 0 354.454 2.461 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3cncs3)CC2)cc1 ZINC000188055862 548270794 /nfs/dbraw/zinc/27/07/94/548270794.db2.gz DKVKPNNOYFLRLP-UHFFFAOYSA-N 1 0 374.510 2.023 20 10 FECDRO C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188891351 548290549 /nfs/dbraw/zinc/29/05/49/548290549.db2.gz XTZSZDZIRBISTK-KRWDZBQOSA-N 1 0 372.513 2.049 20 10 FECDRO COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3ccc(N)cc3)C2)cc(OC)c1 ZINC000237306833 548817553 /nfs/dbraw/zinc/81/75/53/548817553.db2.gz OSYAMVDMPIXMHB-SFHVURJKSA-N 1 0 369.465 2.219 20 10 FECDRO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000245980597 549031285 /nfs/dbraw/zinc/03/12/85/549031285.db2.gz BABHYQLWGOHDSF-KGLIPLIRSA-N 1 0 374.453 2.424 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)CCSC)cc2=O ZINC000265515330 550010791 /nfs/dbraw/zinc/01/07/91/550010791.db2.gz QHQGQDDFAMDHNL-NSHDSACASA-N 1 0 352.460 2.185 20 10 FECDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000266539828 550021621 /nfs/dbraw/zinc/02/16/21/550021621.db2.gz LWGYHSLRHMSOEV-LJQANCHMSA-N 1 0 360.502 2.149 20 10 FECDRO CN(C)c1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1F ZINC000267173350 550028323 /nfs/dbraw/zinc/02/83/23/550028323.db2.gz LLUNWKVCBOEVQJ-QGZVFWFLSA-N 1 0 354.495 2.128 20 10 FECDRO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000268565433 550087565 /nfs/dbraw/zinc/08/75/65/550087565.db2.gz FPORJPYILZGTCZ-IBGZPJMESA-N 1 0 374.529 2.090 20 10 FECDRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000268813970 550119562 /nfs/dbraw/zinc/11/95/62/550119562.db2.gz LRSLBYQEWFJEGQ-SFHVURJKSA-N 1 0 358.530 2.492 20 10 FECDRO CC[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[NH+](C)C ZINC000268865098 550125633 /nfs/dbraw/zinc/12/56/33/550125633.db2.gz ZWPYGKGRVCTTRC-VBQJREDUSA-N 1 0 351.466 2.396 20 10 FECDRO COc1ccc(COC[C@H](O)C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000269669461 550215747 /nfs/dbraw/zinc/21/57/47/550215747.db2.gz WQQYFBDFTWYRHE-QGZVFWFLSA-N 1 0 361.438 2.419 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1cccc(O)c1)cc2=O ZINC000271757851 550400082 /nfs/dbraw/zinc/40/00/82/550400082.db2.gz CAYOLXSSAFZCGX-LLVKDONJSA-N 1 0 356.382 2.168 20 10 FECDRO Cc1ccc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(O)c1O ZINC000272726750 550467273 /nfs/dbraw/zinc/46/72/73/550467273.db2.gz IXSJNLJJQXCQFD-UHFFFAOYSA-N 1 0 361.486 2.037 20 10 FECDRO COc1cc(N2CC[NH+](CCCn3ccnc3C)CC2)cc(OC)c1OC ZINC000273592660 550504265 /nfs/dbraw/zinc/50/42/65/550504265.db2.gz JOMSBPPMICYHAV-UHFFFAOYSA-N 1 0 374.485 2.430 20 10 FECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000273595141 550504545 /nfs/dbraw/zinc/50/45/45/550504545.db2.gz QJCNTTLUMFTZNO-HNNXBMFYSA-N 1 0 363.502 2.103 20 10 FECDRO COCCOCCOCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000276299958 550577905 /nfs/dbraw/zinc/57/79/05/550577905.db2.gz VPFSMCKDGVWERL-UHFFFAOYSA-N 1 0 359.850 2.360 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000279754576 550925470 /nfs/dbraw/zinc/92/54/70/550925470.db2.gz QJFPNCQUYIVGRD-UHFFFAOYSA-N 1 0 357.498 2.356 20 10 FECDRO O=S1(=O)CCC[C@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000283949849 551455707 /nfs/dbraw/zinc/45/57/07/551455707.db2.gz DKVRQZDUVINOMM-NVXWUHKLSA-N 1 0 353.484 2.198 20 10 FECDRO CON(C)C(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000291311681 552613381 /nfs/dbraw/zinc/61/33/81/552613381.db2.gz RQTVPFFZOGCJMR-UHFFFAOYSA-N 1 0 357.248 2.387 20 10 FECDRO c1nnn(Cc2ccccc2)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000292024124 552685680 /nfs/dbraw/zinc/68/56/80/552685680.db2.gz XLTIXUVNHNRUCY-UHFFFAOYSA-N 1 0 363.465 2.453 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000297917346 553357130 /nfs/dbraw/zinc/35/71/30/553357130.db2.gz SZEQQGMZAPBWLH-IBGZPJMESA-N 1 0 374.529 2.044 20 10 FECDRO Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000298791463 553473385 /nfs/dbraw/zinc/47/33/85/553473385.db2.gz FFBFZQHNDSTGCE-UHFFFAOYSA-N 1 0 356.470 2.331 20 10 FECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1O ZINC000325950051 553778669 /nfs/dbraw/zinc/77/86/69/553778669.db2.gz DEKVIQAXMJHDII-CQSZACIVSA-N 1 0 351.834 2.410 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O ZINC000361392592 554920902 /nfs/dbraw/zinc/92/09/02/554920902.db2.gz WWSRHSDOVGAFCZ-ZWKOPEQDSA-N 1 0 369.259 2.262 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOCC3(CCCC3)C1)cc2=O ZINC000364331396 555292877 /nfs/dbraw/zinc/29/28/77/555292877.db2.gz YWHQUJYQMGTBPX-UHFFFAOYSA-N 1 0 374.441 2.004 20 10 FECDRO CC[C@@H](c1ccccc1O)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000368037575 556200592 /nfs/dbraw/zinc/20/05/92/556200592.db2.gz NASYVURSRAFMNG-RDJZCZTQSA-N 1 0 352.500 2.084 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1F ZINC000368395820 556296271 /nfs/dbraw/zinc/29/62/71/556296271.db2.gz WJQIQXQNFKBECH-MQVJKMGUSA-N 1 0 361.461 2.103 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)cc1OC ZINC000368405413 556298246 /nfs/dbraw/zinc/29/82/46/556298246.db2.gz YPORTJJWGUCAFB-VLIAUNLRSA-N 1 0 374.485 2.316 20 10 FECDRO O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368619619 556365315 /nfs/dbraw/zinc/36/53/15/556365315.db2.gz QPYNJMGCDNCRRS-CHWSQXEVSA-N 1 0 374.268 2.361 20 10 FECDRO C[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc2ccccc2c1O ZINC000370372993 556853592 /nfs/dbraw/zinc/85/35/92/556853592.db2.gz ABFHKBZOJLQAQK-ZDUSSCGKSA-N 1 0 352.442 2.389 20 10 FECDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2c(O)ccc3ccccc32)C1=O ZINC000371083927 557070108 /nfs/dbraw/zinc/07/01/08/557070108.db2.gz FEGKHRUFGMPULD-VLIAUNLRSA-N 1 0 353.422 2.356 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371592354 557232744 /nfs/dbraw/zinc/23/27/44/557232744.db2.gz KNAFGYAOGLQVQT-WQHZJRCTSA-N 1 0 355.482 2.279 20 10 FECDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3cc(Br)ccc3O)C2)n1 ZINC000371715546 557272566 /nfs/dbraw/zinc/27/25/66/557272566.db2.gz QGKXVUWLVXKUPN-ZDUSSCGKSA-N 1 0 351.248 2.257 20 10 FECDRO O=CN1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000372959102 557597189 /nfs/dbraw/zinc/59/71/89/557597189.db2.gz VKYBQJRMTKEYAP-OAHLLOKOSA-N 1 0 353.413 2.467 20 10 FECDRO COc1cccc(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1O ZINC000377625138 558380216 /nfs/dbraw/zinc/38/02/16/558380216.db2.gz QGTJTTYUWFRHGX-OAHLLOKOSA-N 1 0 358.442 2.415 20 10 FECDRO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000377691660 558398514 /nfs/dbraw/zinc/39/85/14/558398514.db2.gz HVHNANUYEMGOCY-HZPDHXFCSA-N 1 0 352.406 2.401 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377802113 558422431 /nfs/dbraw/zinc/42/24/31/558422431.db2.gz GALPHRQBUHIBSQ-VQTJNVASSA-N 1 0 357.498 2.117 20 10 FECDRO O=C([C@H]1CC12CC[NH+](Cc1cc3c(cc1O)OCO3)CC2)N1CCCC1 ZINC000378417375 558552336 /nfs/dbraw/zinc/55/23/36/558552336.db2.gz VGWTXMOUROCZMP-OAHLLOKOSA-N 1 0 358.438 2.345 20 10 FECDRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)CC1 ZINC000378559430 558582907 /nfs/dbraw/zinc/58/29/07/558582907.db2.gz KYBPAZRSNKFOOB-UHFFFAOYSA-N 1 0 361.486 2.038 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC(=O)N(C)C)C1 ZINC000435499276 559924194 /nfs/dbraw/zinc/92/41/94/559924194.db2.gz FAOQUULQXOLDDL-UHFFFAOYSA-N 1 0 370.497 2.002 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C[C@H](CO)c2cccnc2)c1O ZINC000808431697 674458820 /nfs/dbraw/zinc/45/88/20/674458820.db2.gz XPCDQLHNGDCPQE-CYBMUJFWSA-N 1 0 367.243 2.424 20 10 FECDRO CSC1(CNC(=O)NCc2ccc(N(C)C)cc2)CC[NH+](C)CC1 ZINC000811807865 674629714 /nfs/dbraw/zinc/62/97/14/674629714.db2.gz MEYPAKUEWPBDBK-UHFFFAOYSA-N 1 0 350.532 2.379 20 10 FECDRO CCO[C@H](CC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702549 670812703 /nfs/dbraw/zinc/81/27/03/670812703.db2.gz CEDKDNJHXRTOAY-GOSISDBHSA-N 1 0 351.466 2.399 20 10 FECDRO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982244 675188942 /nfs/dbraw/zinc/18/89/42/675188942.db2.gz PTAGCWCXRXCFBM-GOEBONIOSA-N 1 0 353.894 2.206 20 10 FECDRO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000159846889 672285837 /nfs/dbraw/zinc/28/58/37/672285837.db2.gz SFJASSADCIKDHF-UHFFFAOYSA-N 1 0 356.488 2.003 20 10 FECDRO COc1cc(CN2CCO[C@@H](CNC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000178889997 672396449 /nfs/dbraw/zinc/39/64/49/672396449.db2.gz DYLAIKNXXBNYIT-INIZCTEOSA-N 1 0 350.459 2.035 20 10 FECDRO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000184958461 672514143 /nfs/dbraw/zinc/51/41/43/672514143.db2.gz QRBAGDCZZFEKMD-UHFFFAOYSA-N 1 0 350.415 2.361 20 10 FECDRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000185175429 672522161 /nfs/dbraw/zinc/52/21/61/672522161.db2.gz RULUYEICSHTXMF-UHFFFAOYSA-N 1 0 362.543 2.475 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCSC[C@H](C)C3)CC2)cc1 ZINC000190412184 672640380 /nfs/dbraw/zinc/64/03/80/672640380.db2.gz LGZDDCMXQNCGIH-MRXNPFEDSA-N 1 0 363.527 2.029 20 10 FECDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2)CC1 ZINC000733330570 673410132 /nfs/dbraw/zinc/41/01/32/673410132.db2.gz BZRNEKLJLPWQGJ-UHFFFAOYSA-N 1 0 366.433 2.489 20 10 FECDRO CCN(CC)c1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1F ZINC000740004564 673641494 /nfs/dbraw/zinc/64/14/94/673641494.db2.gz QTHBHXNCKGKYAR-UHFFFAOYSA-N 1 0 357.495 2.187 20 10 FECDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c1O ZINC000818360757 675216158 /nfs/dbraw/zinc/21/61/58/675216158.db2.gz CFAPIJFMVPEPPQ-CABZTGNLSA-N 1 0 355.232 2.261 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000818967643 675247652 /nfs/dbraw/zinc/24/76/52/675247652.db2.gz XPPOXUVPWKPYOU-UEKVPHQBSA-N 1 0 350.356 2.452 20 10 FECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824828176 675623942 /nfs/dbraw/zinc/62/39/42/675623942.db2.gz LUJXAVSJZPLHQJ-NEPJUHHUSA-N 1 0 358.360 2.243 20 10 FECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000825406468 675651334 /nfs/dbraw/zinc/65/13/34/675651334.db2.gz SNYCDLZDQQQGKN-CJNGLKHVSA-N 1 0 359.875 2.180 20 10 FECDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(Br)cc1O ZINC000825548093 675658365 /nfs/dbraw/zinc/65/83/65/675658365.db2.gz BKUXYDUDOCQJEN-UHFFFAOYSA-N 1 0 350.278 2.459 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827141603 675733352 /nfs/dbraw/zinc/73/33/52/675733352.db2.gz VCRANLKBZGMELJ-GWCFXTLKSA-N 1 0 369.259 2.264 20 10 FECDRO CC1=NO[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544627 677046383 /nfs/dbraw/zinc/04/63/83/677046383.db2.gz SBIQNIJSXCYLJS-GOEBONIOSA-N 1 0 351.834 2.291 20 10 FECDRO CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665201 677053419 /nfs/dbraw/zinc/05/34/19/677053419.db2.gz QSDGOIIBNGJTFS-SWLSCSKDSA-N 1 0 353.413 2.371 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@H+](CCO)CCNC(=O)OC(C)(C)C ZINC000840938224 680855107 /nfs/dbraw/zinc/85/51/07/680855107.db2.gz LYRGNOAZFWSWPK-UHFFFAOYSA-N 1 0 351.491 2.380 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000840948105 680855956 /nfs/dbraw/zinc/85/59/56/680855956.db2.gz MXNDRVXXKGGLKK-SJLPKXTDSA-N 1 0 353.532 2.259 20 10 FECDRO CCOc1cccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1O ZINC000749397798 680046736 /nfs/dbraw/zinc/04/67/36/680046736.db2.gz XIMAGQNXSLIEGR-UHFFFAOYSA-N 1 0 364.467 2.000 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ncccc2Br)cc1 ZINC000832280719 680119513 /nfs/dbraw/zinc/11/95/13/680119513.db2.gz QMENOHNQBJPLSS-CQSZACIVSA-N 1 0 363.259 2.340 20 10 FECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000835051706 680291356 /nfs/dbraw/zinc/29/13/56/680291356.db2.gz GWGXDDYVBLVWJZ-SUQGKYDKSA-N 1 0 365.543 2.369 20 10 FECDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835073582 680293263 /nfs/dbraw/zinc/29/32/63/680293263.db2.gz NMIGKQSAMPDVDG-OLZOCXBDSA-N 1 0 369.259 2.406 20 10 FECDRO COc1cc(C[N@H+](C)CCN2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000754737783 680374072 /nfs/dbraw/zinc/37/40/72/680374072.db2.gz VHZMYSDRZSNDMT-UHFFFAOYSA-N 1 0 370.515 2.166 20 10 FECDRO [NH3+]CC[C@@H](NC(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000841332340 680873468 /nfs/dbraw/zinc/87/34/68/680873468.db2.gz DUOIQTRTMOMJDD-SNVBAGLBSA-N 1 0 370.169 2.234 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000842012743 680922068 /nfs/dbraw/zinc/92/20/68/680922068.db2.gz AVCDQBSLVSRPIS-CYZMBNFOSA-N 1 0 368.275 2.342 20 10 FECDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000768226738 680941360 /nfs/dbraw/zinc/94/13/60/680941360.db2.gz YUTLVEQQFVIXGN-INIZCTEOSA-N 1 0 359.495 2.476 20 10 FECDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000768342087 680944588 /nfs/dbraw/zinc/94/45/88/680944588.db2.gz NVGKRPFZUJDYLG-SFHVURJKSA-N 1 0 353.532 2.437 20 10 FECDRO [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])CC12CCOCC2 ZINC000843124435 680989016 /nfs/dbraw/zinc/98/90/16/680989016.db2.gz AUMQYBZPUFHSCB-CYBMUJFWSA-N 1 0 355.276 2.342 20 10 FECDRO Cc1cc(C(=O)N2CC[NH2+]CC2)c(C)n1-c1ccc(Br)cn1 ZINC000843290353 680995968 /nfs/dbraw/zinc/99/59/68/680995968.db2.gz RGLDDRZSONIKBZ-UHFFFAOYSA-N 1 0 363.259 2.297 20 10 FECDRO COc1ccc(N(C)CCN(C)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000844581026 681067059 /nfs/dbraw/zinc/06/70/59/681067059.db2.gz QXVFCHCMSYDURJ-UHFFFAOYSA-N 1 0 350.532 2.032 20 10 FECDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(Cl)ccc3O)C2)CC1 ZINC000844985633 681096676 /nfs/dbraw/zinc/09/66/76/681096676.db2.gz RBCBRVYBMWMKPE-OAHLLOKOSA-N 1 0 366.893 2.013 20 10 FECDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846147538 681189261 /nfs/dbraw/zinc/18/92/61/681189261.db2.gz VQFZLPATHUNJRK-LBPRGKRZSA-N 1 0 350.440 2.160 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(CSC)CC1)cc2=O ZINC000932589516 681269167 /nfs/dbraw/zinc/26/91/67/681269167.db2.gz AQKCBMYYXJSMOS-UHFFFAOYSA-N 1 0 364.471 2.187 20 10 FECDRO CC[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000775506532 681311928 /nfs/dbraw/zinc/31/19/28/681311928.db2.gz AKIIADXXDPLIIY-WMZOPIPTSA-N 1 0 367.921 2.493 20 10 FECDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)ccc1O ZINC000848564225 681579608 /nfs/dbraw/zinc/57/96/08/681579608.db2.gz JXQIPPDJDQUAQL-ONGXEEELSA-N 1 0 351.248 2.491 20 10 FECDRO CCc1cccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1O ZINC000848899499 681640270 /nfs/dbraw/zinc/64/02/70/681640270.db2.gz GVNZNLIOCADBLK-UHFFFAOYSA-N 1 0 354.516 2.494 20 10 FECDRO COCCN(Cc1cc(Cl)cc(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000848922076 681642401 /nfs/dbraw/zinc/64/24/01/681642401.db2.gz LWJNEAKRGMWMRT-GFCCVEGCSA-N 1 0 357.756 2.426 20 10 FECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000781921251 681989334 /nfs/dbraw/zinc/98/93/34/681989334.db2.gz RKNUCDWOQZHSKF-OAHLLOKOSA-N 1 0 368.499 2.227 20 10 FECDRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000851655463 682102110 /nfs/dbraw/zinc/10/21/10/682102110.db2.gz WLGLILBWFHTFIK-QGZVFWFLSA-N 1 0 350.532 2.412 20 10 FECDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000784262884 682211164 /nfs/dbraw/zinc/21/11/64/682211164.db2.gz IZGFXZHKWAVDHI-LBPRGKRZSA-N 1 0 350.396 2.425 20 10 FECDRO Cn1nc(Br)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000785433845 682297252 /nfs/dbraw/zinc/29/72/52/682297252.db2.gz GBIJNPPVOIFQSJ-UHFFFAOYSA-N 1 0 365.275 2.309 20 10 FECDRO C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000854230638 682526940 /nfs/dbraw/zinc/52/69/40/682526940.db2.gz ATWZPMMMGBICFS-GFCCVEGCSA-N 1 0 355.429 2.312 20 10 FECDRO CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000790761241 682699914 /nfs/dbraw/zinc/69/99/14/682699914.db2.gz UCFZXFOKGNXKSM-WCQYABFASA-N 1 0 362.264 2.219 20 10 FECDRO CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(=O)OC ZINC000790788478 682701845 /nfs/dbraw/zinc/70/18/45/682701845.db2.gz YUJAZIBLUZOXTB-LSDHHAIUSA-N 1 0 368.861 2.325 20 10 FECDRO CCON(CC)C(=O)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000858218983 682945890 /nfs/dbraw/zinc/94/58/90/682945890.db2.gz BMEDGIHNICQFMB-UHFFFAOYSA-N 1 0 361.236 2.053 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O ZINC000858488959 682972516 /nfs/dbraw/zinc/97/25/16/682972516.db2.gz OTYBOTBVWQEAAS-DGCLKSJQSA-N 1 0 358.833 2.413 20 10 FECDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000795834795 683096439 /nfs/dbraw/zinc/09/64/39/683096439.db2.gz WMHPKDYJAVTQJU-ARFHVFGLSA-N 1 0 368.905 2.472 20 10 FECDRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921799255 683578449 /nfs/dbraw/zinc/57/84/49/683578449.db2.gz FTZAPPDCIKWIGJ-NVXWUHKLSA-N 1 0 352.500 2.161 20 10 FECDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1O ZINC000865741859 684021785 /nfs/dbraw/zinc/02/17/85/684021785.db2.gz KYUJKRFWKHKTLW-HZPDHXFCSA-N 1 0 368.499 2.274 20 10 FECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccns1 ZINC000925053914 684520792 /nfs/dbraw/zinc/52/07/92/684520792.db2.gz AIRUELKASVJZNL-ZDUSSCGKSA-N 1 0 351.497 2.229 20 10 FECDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925055965 684521043 /nfs/dbraw/zinc/52/10/43/684521043.db2.gz QVGACJXNDAWOKK-IEBWSBKVSA-N 1 0 368.543 2.341 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000925143013 684528488 /nfs/dbraw/zinc/52/84/88/684528488.db2.gz PGTRJIFZWFOFEI-QZTJIDSGSA-N 1 0 362.543 2.474 20 10 FECDRO CC[N@@H+]1CCC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925289991 684547053 /nfs/dbraw/zinc/54/70/53/684547053.db2.gz AFRPUHABDJAXOT-AWEZNQCLSA-N 1 0 351.834 2.294 20 10 FECDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(F)(F)F ZINC000873226764 685099924 /nfs/dbraw/zinc/09/99/24/685099924.db2.gz ATBSAJOEXYBTIE-KGLIPLIRSA-N 1 0 361.383 2.231 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1O ZINC000880208626 687015595 /nfs/dbraw/zinc/01/55/95/687015595.db2.gz UCNFBIXJKIABTH-KRWDZBQOSA-N 1 0 350.434 2.467 20 10 FECDRO Cc1ncc(Cl)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881850653 687233562 /nfs/dbraw/zinc/23/35/62/687233562.db2.gz AWGWBWCBBNIGTN-UHFFFAOYSA-N 1 0 359.861 2.120 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)C(F)(F)c3nccs3)cc2)CC1 ZINC000881853668 687234811 /nfs/dbraw/zinc/23/48/11/687234811.db2.gz FXBWYGCPVYGKGQ-UHFFFAOYSA-N 1 0 366.437 2.303 20 10 FECDRO [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000882916355 687526972 /nfs/dbraw/zinc/52/69/72/687526972.db2.gz NHYNQUZEBWAKSI-LBPRGKRZSA-N 1 0 363.683 2.354 20 10 FECDRO CSCCCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883429742 687628261 /nfs/dbraw/zinc/62/82/61/687628261.db2.gz CYFXTPNPKSEVQN-UHFFFAOYSA-N 1 0 350.532 2.381 20 10 FECDRO Cc1cnc(Cl)c(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000886885446 688332287 /nfs/dbraw/zinc/33/22/87/688332287.db2.gz VVPAUJGQOHJEOD-AWEZNQCLSA-N 1 0 368.890 2.088 20 10 FECDRO C[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCS1 ZINC000889665059 688804111 /nfs/dbraw/zinc/80/41/11/688804111.db2.gz DVMKWDGULWAWDQ-INIZCTEOSA-N 1 0 362.543 2.475 20 10 FECDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1OC ZINC000894277616 689498792 /nfs/dbraw/zinc/49/87/92/689498792.db2.gz MHZKUQMKQTXKTA-KSSFIOAISA-N 1 0 351.443 2.067 20 10 FECDRO COc1cc(C)cc(C[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1O ZINC000894359207 689517669 /nfs/dbraw/zinc/51/76/69/689517669.db2.gz OHSLFHLRNOFNAJ-UHFFFAOYSA-N 1 0 370.496 2.147 20 10 FECDRO COCC[C@H](C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895339332 689698953 /nfs/dbraw/zinc/69/89/53/689698953.db2.gz LWJZEAILKUXFCP-MAUKXSAKSA-N 1 0 350.507 2.327 20 10 FECDRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000895554037 689734758 /nfs/dbraw/zinc/73/47/58/689734758.db2.gz QBKVHTQPEYTFIH-UHFFFAOYSA-N 1 0 351.878 2.351 20 10 FECDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(OC)c(OC)cc1O)C(F)(F)F ZINC000895710849 689758689 /nfs/dbraw/zinc/75/86/89/689758689.db2.gz NWQRHLYVCQBYMR-LLYBFZRZSA-N 1 0 365.348 2.343 20 10 FECDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc(OC)c(OC)c1O)C(F)(F)F ZINC000895720555 689761979 /nfs/dbraw/zinc/76/19/79/689761979.db2.gz XYMRDMRUBFSSAV-LZNQSLFOSA-N 1 0 365.348 2.343 20 10 FECDRO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000896473033 689879482 /nfs/dbraw/zinc/87/94/82/689879482.db2.gz ZJPHRIXYTRRZKK-GDBMZVCRSA-N 1 0 350.434 2.293 20 10 FECDRO Oc1cc(Br)ccc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000896688362 689917140 /nfs/dbraw/zinc/91/71/40/689917140.db2.gz LPBRPZJPSUNTFS-UHFFFAOYSA-N 1 0 372.259 2.293 20 10 FECDRO COc1ccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)c(O)c1OC ZINC000896811651 689933738 /nfs/dbraw/zinc/93/37/38/689933738.db2.gz NOTFSANKSOLSQM-UHFFFAOYSA-N 1 0 365.451 2.145 20 10 FECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000897229639 689991965 /nfs/dbraw/zinc/99/19/65/689991965.db2.gz XTSIWUATKLDHNR-HNNXBMFYSA-N 1 0 355.276 2.498 20 10 FECDRO O=c1cc(N2CC[C@H]([NH2+]Cc3cc(Br)ccc3O)C2)nc[nH]1 ZINC000898159451 690136505 /nfs/dbraw/zinc/13/65/05/690136505.db2.gz YPDWEABXPFXUKV-LBPRGKRZSA-N 1 0 365.231 2.019 20 10 FECDRO CCC[C@@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098516 690303342 /nfs/dbraw/zinc/30/33/42/690303342.db2.gz PFFPHYZCRUGOCU-WMZOPIPTSA-N 1 0 350.507 2.206 20 10 FECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000903235785 690873734 /nfs/dbraw/zinc/87/37/34/690873734.db2.gz VVDOEIPICCDSOL-GZBFAFLISA-N 1 0 356.488 2.159 20 10 FECDRO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Br)ccc1O ZINC000068800799 541629589 /nfs/dbraw/zinc/62/95/89/541629589.db2.gz WQXXNFPCLGENHH-UKRRQHHQSA-N 1 0 356.308 2.441 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081765547 542676597 /nfs/dbraw/zinc/67/65/97/542676597.db2.gz SCJILXMLBMUXOX-FPOVZHCZSA-N 1 0 371.525 2.386 20 10 FECDRO Cc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)n1-c1ccccn1 ZINC000082992053 542688725 /nfs/dbraw/zinc/68/87/25/542688725.db2.gz XOSVVRVHYLOXDG-UHFFFAOYSA-N 1 0 368.481 2.426 20 10 FECDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090412159 542784518 /nfs/dbraw/zinc/78/45/18/542784518.db2.gz CMRPHCQMAJYGTA-HOCLYGCPSA-N 1 0 364.465 2.117 20 10 FECDRO COc1ccc(N2CCC[N@H+](Cc3ccc(C(=O)N(C)C)[nH]3)CC2)cc1 ZINC000092380661 542861069 /nfs/dbraw/zinc/86/10/69/542861069.db2.gz DVKFJWLTUJQBSM-UHFFFAOYSA-N 1 0 356.470 2.437 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c1 ZINC000093534126 542932865 /nfs/dbraw/zinc/93/28/65/542932865.db2.gz LINNHXNCUUAKIL-UHFFFAOYSA-N 1 0 355.438 2.212 20 10 FECDRO COc1cccc(C[N@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)c1O ZINC000093685864 542938095 /nfs/dbraw/zinc/93/80/95/542938095.db2.gz CUZQGNMPUKYSAW-UHFFFAOYSA-N 1 0 364.467 2.120 20 10 FECDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000247435521 549333544 /nfs/dbraw/zinc/33/35/44/549333544.db2.gz PAIFARKDSXDWPD-JMPQJKKYSA-N 1 0 357.498 2.335 20 10 FECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805199449 674325651 /nfs/dbraw/zinc/32/56/51/674325651.db2.gz SZRISMLUZWWGPX-YGRLFVJLSA-N 1 0 368.275 2.437 20 10 FECDRO CCCOc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(O)c1 ZINC000162673903 546141365 /nfs/dbraw/zinc/14/13/65/546141365.db2.gz CJFJSGFTBNFJJA-UHFFFAOYSA-N 1 0 362.470 2.252 20 10 FECDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165194076 546152353 /nfs/dbraw/zinc/15/23/53/546152353.db2.gz BZUBBZKWOHETMR-OAHLLOKOSA-N 1 0 351.466 2.399 20 10 FECDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000168351553 546159111 /nfs/dbraw/zinc/15/91/11/546159111.db2.gz BMCCKIISOCXTLQ-INIZCTEOSA-N 1 0 365.493 2.424 20 10 FECDRO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000183483974 547668974 /nfs/dbraw/zinc/66/89/74/547668974.db2.gz IWGNXZSLIOXGBZ-UHFFFAOYSA-N 1 0 354.454 2.256 20 10 FECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000184429986 547825090 /nfs/dbraw/zinc/82/50/90/547825090.db2.gz MSCPWRVMLLQJQD-UHFFFAOYSA-N 1 0 362.451 2.231 20 10 FECDRO CC[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccccc1O ZINC000185207836 547952023 /nfs/dbraw/zinc/95/20/23/547952023.db2.gz SSTBOYJXIUFVSP-SFHVURJKSA-N 1 0 355.486 2.435 20 10 FECDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000187515870 548258890 /nfs/dbraw/zinc/25/88/90/548258890.db2.gz SUKSZEOYVLSZCL-QGZVFWFLSA-N 1 0 374.529 2.273 20 10 FECDRO CN(C(=O)c1cccc(O)c1O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000188334626 548277935 /nfs/dbraw/zinc/27/79/35/548277935.db2.gz SUYSFHKYSGYDAX-UHFFFAOYSA-N 1 0 355.438 2.272 20 10 FECDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(N(C)C)cc1 ZINC000189169186 548298036 /nfs/dbraw/zinc/29/80/36/548298036.db2.gz UHJUGDQXXWYOCH-OAHLLOKOSA-N 1 0 362.495 2.369 20 10 FECDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000247323992 549319338 /nfs/dbraw/zinc/31/93/38/549319338.db2.gz SYFRBVSCXOUCRD-NFCKIUOLSA-N 1 0 369.509 2.479 20 10 FECDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccccc1C ZINC000264691772 549999658 /nfs/dbraw/zinc/99/96/58/549999658.db2.gz MKPHGGBMYHHFFU-SFHVURJKSA-N 1 0 354.498 2.378 20 10 FECDRO [NH3+]CCCCCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000269255205 550173016 /nfs/dbraw/zinc/17/30/16/550173016.db2.gz RUSSONGATGUGGJ-UHFFFAOYSA-N 1 0 351.466 2.312 20 10 FECDRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269255126 550173019 /nfs/dbraw/zinc/17/30/19/550173019.db2.gz ROKRMVLUAAFBMP-VBQJREDUSA-N 1 0 351.466 2.429 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)Cc1ccncc1)cc2=O ZINC000271053946 550335656 /nfs/dbraw/zinc/33/56/56/550335656.db2.gz YQQHHNQACJHFHQ-UHFFFAOYSA-N 1 0 355.398 2.029 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cc2F)C[C@H](C)O1 ZINC000271680140 550394748 /nfs/dbraw/zinc/39/47/48/550394748.db2.gz IIRNBJGBCKPBLJ-IJEWVQPXSA-N 1 0 370.490 2.106 20 10 FECDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cccc(C)c3O)CC2)n1 ZINC000271809875 550403293 /nfs/dbraw/zinc/40/32/93/550403293.db2.gz LZQUDJMOYRQUCN-HNNXBMFYSA-N 1 0 360.458 2.499 20 10 FECDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(O)c1 ZINC000271989455 550414913 /nfs/dbraw/zinc/41/49/13/550414913.db2.gz KZCBYROVYQHRAP-QAPCUYQASA-N 1 0 369.483 2.007 20 10 FECDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272326958 550437746 /nfs/dbraw/zinc/43/77/46/550437746.db2.gz MDPRPWUEQBDAOG-DVOMOZLQSA-N 1 0 369.506 2.136 20 10 FECDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000273046793 550482220 /nfs/dbraw/zinc/48/22/20/550482220.db2.gz XTZZEWICHNAGRP-QWXGXRTQSA-N 1 0 373.522 2.457 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)c1 ZINC000273743016 550509856 /nfs/dbraw/zinc/50/98/56/550509856.db2.gz MFEVAJRPYJIDBG-UHFFFAOYSA-N 1 0 360.414 2.006 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000276946826 550614066 /nfs/dbraw/zinc/61/40/66/550614066.db2.gz UTYWVHCYYJDDIU-CYBMUJFWSA-N 1 0 365.451 2.018 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3cnccn3)cc2F)CC1 ZINC000280551505 551006737 /nfs/dbraw/zinc/00/67/37/551006737.db2.gz PJOPQMFCXPZYAE-UHFFFAOYSA-N 1 0 371.460 2.007 20 10 FECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C12CCC[NH+]1CCC2 ZINC000283046737 551302972 /nfs/dbraw/zinc/30/29/72/551302972.db2.gz LUHGVLAEFITYOZ-UHFFFAOYSA-N 1 0 357.498 2.140 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000283383150 551357546 /nfs/dbraw/zinc/35/75/46/551357546.db2.gz JCORIORRYCXIGX-UHFFFAOYSA-N 1 0 361.486 2.121 20 10 FECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000283721280 551415934 /nfs/dbraw/zinc/41/59/34/551415934.db2.gz VMCDOYMZYQGSPH-KRWDZBQOSA-N 1 0 362.518 2.340 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000283992199 551463547 /nfs/dbraw/zinc/46/35/47/551463547.db2.gz JPHDHOSODPNFSS-APWZRJJASA-N 1 0 374.529 2.090 20 10 FECDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287093435 551962531 /nfs/dbraw/zinc/96/25/31/551962531.db2.gz YSZSDUKRMPTKTB-XLIONFOSSA-N 1 0 372.513 2.291 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287170116 551972290 /nfs/dbraw/zinc/97/22/90/551972290.db2.gz MYWPWSZTCPTDPH-HKUYNNGSSA-N 1 0 374.529 2.090 20 10 FECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287170131 551972293 /nfs/dbraw/zinc/97/22/93/551972293.db2.gz MYWPWSZTCPTDPH-PKOBYXMFSA-N 1 0 374.529 2.090 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000287638402 552028875 /nfs/dbraw/zinc/02/88/75/552028875.db2.gz AEQHMSUKHJTVPP-AYHJJNSGSA-N 1 0 373.497 2.262 20 10 FECDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1O ZINC000294675424 552925668 /nfs/dbraw/zinc/92/56/68/552925668.db2.gz AVQBZGUTVTXTLG-GJZGRUSLSA-N 1 0 355.276 2.368 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000296286067 553135090 /nfs/dbraw/zinc/13/50/90/553135090.db2.gz OXVBJDVNJFKHKP-SXLOBPIMSA-N 1 0 357.498 2.258 20 10 FECDRO C[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000296610319 553187465 /nfs/dbraw/zinc/18/74/65/553187465.db2.gz WGMXZELKTSSJHV-RDTXWAMCSA-N 1 0 370.490 2.016 20 10 FECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000296622594 553188918 /nfs/dbraw/zinc/18/89/18/553188918.db2.gz WZNZSDGIQLUBFZ-ONGXEEELSA-N 1 0 365.293 2.133 20 10 FECDRO CN(C)c1ccc(CN(C(=O)NCC[N@@H+]2CCCOCC2)C2CC2)cc1 ZINC000297480143 553297956 /nfs/dbraw/zinc/29/79/56/553297956.db2.gz SQIPWQCQRGUAIZ-UHFFFAOYSA-N 1 0 360.502 2.149 20 10 FECDRO COc1ccc(N2CCC(Nc3cc(-n4cccn4)nc(N)[nH+]3)CC2)cc1 ZINC000301630066 553667148 /nfs/dbraw/zinc/66/71/48/553667148.db2.gz IKKUBRRLRPUZEW-UHFFFAOYSA-N 1 0 365.441 2.334 20 10 FECDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000363669763 555160559 /nfs/dbraw/zinc/16/05/59/555160559.db2.gz IGFQJQAGTCGZJO-VIGJDAIZSA-N 1 0 355.482 2.122 20 10 FECDRO COC[C@@H](C)OC[C@H](O)C[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000365739423 555656277 /nfs/dbraw/zinc/65/62/77/555656277.db2.gz VFXHSXLOTAQZEW-VQIMIIECSA-N 1 0 366.502 2.008 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000513482965 561940234 /nfs/dbraw/zinc/94/02/34/561940234.db2.gz IOHMOLMYSBIFKM-HNNXBMFYSA-N 1 0 372.513 2.195 20 10 FECDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000369585017 556638950 /nfs/dbraw/zinc/63/89/50/556638950.db2.gz IFURHOGKTAJOHR-UHFFFAOYSA-N 1 0 371.441 2.465 20 10 FECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)c1 ZINC000371224109 557111919 /nfs/dbraw/zinc/11/19/19/557111919.db2.gz VQZWKRWLBDWARO-HNNXBMFYSA-N 1 0 352.442 2.145 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371592353 557232611 /nfs/dbraw/zinc/23/26/11/557232611.db2.gz KNAFGYAOGLQVQT-QEMYPZFLSA-N 1 0 355.482 2.279 20 10 FECDRO CNS(=O)(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000372399535 557461028 /nfs/dbraw/zinc/46/10/28/557461028.db2.gz NUQOGMNTAYBLFZ-UHFFFAOYSA-N 1 0 351.516 2.191 20 10 FECDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000374022390 557809606 /nfs/dbraw/zinc/80/96/06/557809606.db2.gz QQCPMTBMECLHCR-NRFANRHFSA-N 1 0 365.477 2.414 20 10 FECDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000374258714 557853205 /nfs/dbraw/zinc/85/32/05/557853205.db2.gz WQEFXPAJHWTKPV-SFTDATJTSA-N 1 0 370.497 2.345 20 10 FECDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000378470838 558565082 /nfs/dbraw/zinc/56/50/82/558565082.db2.gz BZRLNEMRVCYNLP-SJLPKXTDSA-N 1 0 369.513 2.311 20 10 FECDRO CNC(=O)C[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000456499125 560522610 /nfs/dbraw/zinc/52/26/10/560522610.db2.gz HAUPGFVRNFPKQY-HNNXBMFYSA-N 1 0 370.497 2.049 20 10 FECDRO COCC[NH+]1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000471722241 561010900 /nfs/dbraw/zinc/01/09/00/561010900.db2.gz AGTZHADSJLJQHY-UHFFFAOYSA-N 1 0 358.486 2.397 20 10 FECDRO CSCC[C@H]([NH2+]Cc1cc(Br)ccc1O)C(=O)N(C)C ZINC000808438745 674459076 /nfs/dbraw/zinc/45/90/76/674459076.db2.gz MMJUOIGMHSMQSJ-LBPRGKRZSA-N 1 0 361.305 2.454 20 10 FECDRO CCOc1cccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1O ZINC000825649859 607567380 /nfs/dbraw/zinc/56/73/80/607567380.db2.gz ZULLFMAULBLWJV-UHFFFAOYSA-N 1 0 355.398 2.269 20 10 FECDRO CCN(CC)c1ccc(CNS(=O)(=O)CC[NH+](CC)CC)cc1F ZINC000810046956 674527169 /nfs/dbraw/zinc/52/71/69/674527169.db2.gz FGFGMJWRNKUHCY-UHFFFAOYSA-N 1 0 359.511 2.433 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210276 608502020 /nfs/dbraw/zinc/50/20/20/608502020.db2.gz KWBDHQHFGGRLHQ-LBPRGKRZSA-N 1 0 355.398 2.311 20 10 FECDRO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1O ZINC000090025993 670709516 /nfs/dbraw/zinc/70/95/16/670709516.db2.gz BHSWYUXZUBDHBX-NEPJUHHUSA-N 1 0 355.232 2.343 20 10 FECDRO CN(CC[NH3+])C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000818010870 675190673 /nfs/dbraw/zinc/19/06/73/675190673.db2.gz YEGJYWSFTBISJC-ZRDIBKRKSA-N 1 0 369.537 2.147 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CC2(OC)CCOCC2)c1O ZINC000123212195 671977020 /nfs/dbraw/zinc/97/70/20/671977020.db2.gz WGYQCGSJKRVNGR-UHFFFAOYSA-N 1 0 360.248 2.449 20 10 FECDRO COCC[NH+]1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000152808841 672188168 /nfs/dbraw/zinc/18/81/68/672188168.db2.gz IXTCZTGDDGZVRC-UHFFFAOYSA-N 1 0 358.533 2.035 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000182348324 672443331 /nfs/dbraw/zinc/44/33/31/672443331.db2.gz GIJMIQKBVFDLJF-ZDUSSCGKSA-N 1 0 360.435 2.397 20 10 FECDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000194225938 672753004 /nfs/dbraw/zinc/75/30/04/672753004.db2.gz KJXUVAJIZLHMSF-UHFFFAOYSA-N 1 0 360.527 2.475 20 10 FECDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCS(=O)(=O)CC3)cc2F)C[C@H](C)O1 ZINC000291235404 672994743 /nfs/dbraw/zinc/99/47/43/672994743.db2.gz ULQXHFDDQGOMGS-OKILXGFUSA-N 1 0 370.490 2.106 20 10 FECDRO COc1cc(Br)cc(C[NH2+]C2CCN(C(C)=O)CC2)c1O ZINC000727643934 673176869 /nfs/dbraw/zinc/17/68/69/673176869.db2.gz BXEDRVLZCXWJRZ-UHFFFAOYSA-N 1 0 357.248 2.264 20 10 FECDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819039820 675254640 /nfs/dbraw/zinc/25/46/40/675254640.db2.gz ULAQTJLTJHPREZ-FXAWDEMLSA-N 1 0 350.503 2.425 20 10 FECDRO CSCC[C@@H](O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827309497 675746920 /nfs/dbraw/zinc/74/69/20/675746920.db2.gz FOLIPQIFLFRUII-GOEBONIOSA-N 1 0 372.918 2.240 20 10 FECDRO Cc1cc(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827457811 675757306 /nfs/dbraw/zinc/75/73/06/675757306.db2.gz IHJQIMGOKRHPDX-GJZGRUSLSA-N 1 0 358.873 2.476 20 10 FECDRO CC1=NO[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544626 677046312 /nfs/dbraw/zinc/04/63/12/677046312.db2.gz SBIQNIJSXCYLJS-GDBMZVCRSA-N 1 0 351.834 2.291 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000761076992 680710026 /nfs/dbraw/zinc/71/00/26/680710026.db2.gz OOSCFPHACOLUCE-GJZGRUSLSA-N 1 0 363.845 2.437 20 10 FECDRO CC(C)OCCOC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000840145501 680802316 /nfs/dbraw/zinc/80/23/16/680802316.db2.gz XTNHMNBMIYRYHR-SFHVURJKSA-N 1 0 351.443 2.224 20 10 FECDRO Cc1cc(O)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c(Cl)c1 ZINC000840953986 680856767 /nfs/dbraw/zinc/85/67/67/680856767.db2.gz FFRVOPYEXLVFQJ-UHFFFAOYSA-N 1 0 358.891 2.354 20 10 FECDRO Cc1cc(O)c(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(Cl)c1 ZINC000840918948 680853180 /nfs/dbraw/zinc/85/31/80/680853180.db2.gz ONYDCTPDRAWEEZ-INIZCTEOSA-N 1 0 351.878 2.092 20 10 FECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000840929191 680854411 /nfs/dbraw/zinc/85/44/11/680854411.db2.gz IQUXGQPMJGNMGP-UHFFFAOYSA-N 1 0 361.511 2.270 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000840948351 680855862 /nfs/dbraw/zinc/85/58/62/680855862.db2.gz PNGVOGGQHIMXCI-MRXNPFEDSA-N 1 0 353.532 2.164 20 10 FECDRO C[C@H](CS(=O)(=O)c1ccccc1)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044541 680860895 /nfs/dbraw/zinc/86/08/95/680860895.db2.gz CPDXXMQALLZFBC-DNVCBOLYSA-N 1 0 361.511 2.204 20 10 FECDRO CN(Cc1ccc(N2CCCCC2)c(Br)c1)C[C@@H](O)C[NH3+] ZINC000841094624 680863002 /nfs/dbraw/zinc/86/30/02/680863002.db2.gz ZMNWBFVXOQUNFD-AWEZNQCLSA-N 1 0 356.308 2.191 20 10 FECDRO CC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000834892580 680280775 /nfs/dbraw/zinc/28/07/75/680280775.db2.gz WNRYVLFXJUYSSJ-SFHVURJKSA-N 1 0 354.516 2.387 20 10 FECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000835044767 680290554 /nfs/dbraw/zinc/29/05/54/680290554.db2.gz OYMLCTHYVZTDSL-MMUANNJHSA-N 1 0 351.516 2.073 20 10 FECDRO COc1ccc(N2CC[NH+](C[C@@H](O)CSC[C@H]3CCCO3)CC2)cc1 ZINC000754862275 680385087 /nfs/dbraw/zinc/38/50/87/680385087.db2.gz LMPQMHOWWNSNOS-IEBWSBKVSA-N 1 0 366.527 2.090 20 10 FECDRO CCCSC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000756341739 680473631 /nfs/dbraw/zinc/47/36/31/680473631.db2.gz ZJBUCPYCFZUWQO-KRWDZBQOSA-N 1 0 351.516 2.124 20 10 FECDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000756447743 680479547 /nfs/dbraw/zinc/47/95/47/680479547.db2.gz XXVLCXKKAZADCK-ZDUSSCGKSA-N 1 0 364.467 2.301 20 10 FECDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837651642 680630036 /nfs/dbraw/zinc/63/00/36/680630036.db2.gz OCFWVNDKRBAZGE-QGZVFWFLSA-N 1 0 362.543 2.475 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1F ZINC000841798708 680913033 /nfs/dbraw/zinc/91/30/33/680913033.db2.gz MCSRDCUTQVJLIT-HNNXBMFYSA-N 1 0 358.408 2.468 20 10 FECDRO COc1cc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c(O)cc1C ZINC000768442731 680947048 /nfs/dbraw/zinc/94/70/48/680947048.db2.gz NJDILFFUKKCZAQ-UHFFFAOYSA-N 1 0 362.455 2.411 20 10 FECDRO CSc1ccccc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784233 680966104 /nfs/dbraw/zinc/96/61/04/680966104.db2.gz HREMIBINJARDNW-OAHLLOKOSA-N 1 0 365.524 2.453 20 10 FECDRO CCc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000842783826 680966141 /nfs/dbraw/zinc/96/61/41/680966141.db2.gz DCSWEMNRCTXFRF-HNNXBMFYSA-N 1 0 353.513 2.355 20 10 FECDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)sc1C ZINC000842784386 680966154 /nfs/dbraw/zinc/96/61/54/680966154.db2.gz IWFGUZBNNUFKKB-OAHLLOKOSA-N 1 0 353.513 2.409 20 10 FECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058792 680985001 /nfs/dbraw/zinc/98/50/01/680985001.db2.gz YJUVUDDPEKTRSV-PBHICJAKSA-N 1 0 365.905 2.434 20 10 FECDRO Fc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)ccc1N1CCOCC1 ZINC000770751766 681026449 /nfs/dbraw/zinc/02/64/49/681026449.db2.gz BKOUBGPMABQAGO-APWZRJJASA-N 1 0 350.434 2.090 20 10 FECDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844188372 681043511 /nfs/dbraw/zinc/04/35/11/681043511.db2.gz RPLWCXKPLACMOZ-BHTHQVBYSA-N 1 0 351.397 2.123 20 10 FECDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1O ZINC000846169455 681193360 /nfs/dbraw/zinc/19/33/60/681193360.db2.gz QUFCSCVTYXYVDS-XJKSGUPXSA-N 1 0 351.443 2.467 20 10 FECDRO Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000775712821 681326924 /nfs/dbraw/zinc/32/69/24/681326924.db2.gz JLLOSHXINFJEAO-LLVKDONJSA-N 1 0 362.289 2.330 20 10 FECDRO Cc1cc(Br)c(O)c(CN2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000781908565 681987755 /nfs/dbraw/zinc/98/77/55/681987755.db2.gz KNAKXPNBLQAHPH-UHFFFAOYSA-N 1 0 357.292 2.352 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)CSC(C)C)CC2)cc1 ZINC000914467546 685508162 /nfs/dbraw/zinc/50/81/62/685508162.db2.gz ITKPPDSALBOEMS-UHFFFAOYSA-N 1 0 365.543 2.465 20 10 FECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000782978708 682100230 /nfs/dbraw/zinc/10/02/30/682100230.db2.gz IMZSYOGXFVBPSR-SNVBAGLBSA-N 1 0 366.414 2.232 20 10 FECDRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000851657534 682102031 /nfs/dbraw/zinc/10/20/31/682102031.db2.gz FDONNNKCUAABJV-CHWSQXEVSA-N 1 0 356.417 2.164 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC(C)(C)O)cc2F)CC1 ZINC000787333676 682451272 /nfs/dbraw/zinc/45/12/72/682451272.db2.gz XMWKVSPKCNSUHX-UHFFFAOYSA-N 1 0 351.466 2.135 20 10 FECDRO OC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccc(F)c(F)c1 ZINC000791004589 682718954 /nfs/dbraw/zinc/71/89/54/682718954.db2.gz NKIUDAVEBZOVFW-GFCCVEGCSA-N 1 0 351.349 2.340 20 10 FECDRO CN(C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1)S(C)(=O)=O ZINC000795651359 683077269 /nfs/dbraw/zinc/07/72/69/683077269.db2.gz RRHXMFJVULRYNV-AWEZNQCLSA-N 1 0 363.483 2.044 20 10 FECDRO CCO[C@@H](CNC(=O)N(CC)Cc1ccc(N(C)C)cc1)C[NH+](C)C ZINC000926820043 683175631 /nfs/dbraw/zinc/17/56/31/683175631.db2.gz BWSQTWHYWSIFEU-SFHVURJKSA-N 1 0 350.507 2.251 20 10 FECDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000797095680 683222069 /nfs/dbraw/zinc/22/20/69/683222069.db2.gz FMHDUNUZQQKKQY-BZPMIXESSA-N 1 0 356.463 2.483 20 10 FECDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862326464 683569079 /nfs/dbraw/zinc/56/90/79/683569079.db2.gz OIXVXVJBBKJLBU-NSHDSACASA-N 1 0 354.248 2.191 20 10 FECDRO CCOC(=O)[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC12COC2 ZINC000862381763 683580683 /nfs/dbraw/zinc/58/06/83/683580683.db2.gz IUHRJMOBNVHCBH-ZDUSSCGKSA-N 1 0 354.397 2.042 20 10 FECDRO COc1cccc(C[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)c1O ZINC000922451665 683725163 /nfs/dbraw/zinc/72/51/63/683725163.db2.gz HVULJZDQZLWMHF-UHFFFAOYSA-N 1 0 364.467 2.082 20 10 FECDRO C[C@H]([NH2+]CCCSc1nccs1)C1CCN(S(C)(=O)=O)CC1 ZINC000925101125 684524344 /nfs/dbraw/zinc/52/43/44/684524344.db2.gz GAQZTLYLDRSPRW-LBPRGKRZSA-N 1 0 363.574 2.275 20 10 FECDRO COc1ccc(O)c(C[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000925417002 684561295 /nfs/dbraw/zinc/56/12/95/684561295.db2.gz YURWRUXJTRVSKC-CQSZACIVSA-N 1 0 352.431 2.126 20 10 FECDRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1O ZINC000869146175 684587708 /nfs/dbraw/zinc/58/77/08/684587708.db2.gz GMPFFXPMJVRTGF-ZDUSSCGKSA-N 1 0 371.865 2.117 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000876698277 686246349 /nfs/dbraw/zinc/24/63/49/686246349.db2.gz GYTAGLUTQONGFC-XJKSGUPXSA-N 1 0 371.275 2.270 20 10 FECDRO [NH3+][C@@H]1CC=C(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000876743025 686258361 /nfs/dbraw/zinc/25/83/61/686258361.db2.gz ZNPMWVBXBIWUFX-CYBMUJFWSA-N 1 0 351.397 2.421 20 10 FECDRO O=C1C[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCN1 ZINC000877033895 686315107 /nfs/dbraw/zinc/31/51/07/686315107.db2.gz QWRFWEPVQFDTHV-JKSUJKDBSA-N 1 0 351.878 2.268 20 10 FECDRO Cc1c(Cl)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1C ZINC000881853496 687235003 /nfs/dbraw/zinc/23/50/03/687235003.db2.gz YIBWKUICCWHCCG-UHFFFAOYSA-N 1 0 361.877 2.064 20 10 FECDRO CC(C)C1(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000882663033 687431609 /nfs/dbraw/zinc/43/16/09/687431609.db2.gz PZQOFXREDULKJS-UHFFFAOYSA-N 1 0 351.516 2.046 20 10 FECDRO COC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCOC1 ZINC000883174461 687581955 /nfs/dbraw/zinc/58/19/55/687581955.db2.gz KYRQPQGRTHXFRZ-WMZOPIPTSA-N 1 0 352.450 2.194 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1O ZINC000883300589 687603559 /nfs/dbraw/zinc/60/35/59/687603559.db2.gz BSFCPMRMOKTWNX-GFCCVEGCSA-N 1 0 356.488 2.302 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3CCSCC3)cc2)CC1 ZINC000883407350 687623396 /nfs/dbraw/zinc/62/33/96/687623396.db2.gz SGMLQLKMXVUNCL-UHFFFAOYSA-N 1 0 362.543 2.381 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H]3CCSC3)cc2)CC1 ZINC000883798546 687730340 /nfs/dbraw/zinc/73/03/40/687730340.db2.gz KKKASBPOKRQNPY-QGZVFWFLSA-N 1 0 362.543 2.381 20 10 FECDRO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000886665524 688287684 /nfs/dbraw/zinc/28/76/84/688287684.db2.gz AKKXASPQBSHMLU-USXIJHARSA-N 1 0 352.450 2.243 20 10 FECDRO C[C@@H](O)c1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891248903 689040076 /nfs/dbraw/zinc/04/00/76/689040076.db2.gz OLCZGEMEKOCOJF-DOMZBBRYSA-N 1 0 362.499 2.295 20 10 FECDRO CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000892030732 689142874 /nfs/dbraw/zinc/14/28/74/689142874.db2.gz CFBHICFPDCSGQD-SFHVURJKSA-N 1 0 362.543 2.475 20 10 FECDRO COc1ccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c(O)c1OC ZINC000892141359 689156004 /nfs/dbraw/zinc/15/60/04/689156004.db2.gz BJRLMIYDYPNDEC-UHFFFAOYSA-N 1 0 352.475 2.200 20 10 FECDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)c(O)c1OC ZINC000892678801 689227315 /nfs/dbraw/zinc/22/73/15/689227315.db2.gz KWSXRXKSOHYGGJ-AWEZNQCLSA-N 1 0 351.374 2.078 20 10 FECDRO COc1ccc(C[NH2+]CCS(=O)(=O)Cc2ccccc2)c(O)c1OC ZINC000892729813 689236384 /nfs/dbraw/zinc/23/63/84/689236384.db2.gz BZCKNPXTABKQHX-UHFFFAOYSA-N 1 0 365.451 2.114 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)N2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000892884488 689260151 /nfs/dbraw/zinc/26/01/51/689260151.db2.gz DOQFQCLJNBTTFN-UHFFFAOYSA-N 1 0 359.499 2.278 20 10 FECDRO COC(=O)[C@@H]1[C@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1(F)F ZINC000893879796 689422367 /nfs/dbraw/zinc/42/23/67/689422367.db2.gz JKGFMNOHPDZXPP-YCPHGPKFSA-N 1 0 355.381 2.428 20 10 FECDRO Cn1nc2c(c1C[NH2+]Cc1cc(Br)ccc1O)COCC2 ZINC000894433064 689530896 /nfs/dbraw/zinc/53/08/96/689530896.db2.gz ZYJSVEVKKDPVSW-UHFFFAOYSA-N 1 0 352.232 2.251 20 10 FECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000895688815 689755539 /nfs/dbraw/zinc/75/55/39/689755539.db2.gz ZVQXYRBKDGONGJ-INIZCTEOSA-N 1 0 371.884 2.071 20 10 FECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1OC ZINC000895819552 689775679 /nfs/dbraw/zinc/77/56/79/689775679.db2.gz ASWACQNOHBQCSR-PITQQHRWSA-N 1 0 351.443 2.472 20 10 FECDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896520117 689884275 /nfs/dbraw/zinc/88/42/75/689884275.db2.gz GXINJTWGRJJUGP-UHFFFAOYSA-N 1 0 363.483 2.022 20 10 FECDRO O=S(=O)(C1CC[NH+](Cc2cc(F)ccc2O)CC1)N1CCCCC1 ZINC000897272691 689998448 /nfs/dbraw/zinc/99/84/48/689998448.db2.gz CBPHBAAAPBLRNR-UHFFFAOYSA-N 1 0 356.463 2.311 20 10 FECDRO CN(C)c1ccc([C@H](CNc2cc(C(N)=O)nc(Cl)n2)[NH+](C)C)cc1 ZINC000897523614 690034130 /nfs/dbraw/zinc/03/41/30/690034130.db2.gz VLWZAGFUMJEJAM-AWEZNQCLSA-N 1 0 362.865 2.010 20 10 FECDRO COc1ccc(C[NH+]2CCC(N3CCCOC3=O)CC2)c(O)c1OC ZINC000897589268 690045051 /nfs/dbraw/zinc/04/50/51/690045051.db2.gz INTWIUATEZKOEZ-UHFFFAOYSA-N 1 0 350.415 2.216 20 10 FECDRO COc1ccc(O)c(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1 ZINC000898397445 690175016 /nfs/dbraw/zinc/17/50/16/690175016.db2.gz AYSNBGCGBDHLLK-DEOSSOPVSA-N 1 0 355.504 2.187 20 10 FECDRO CC[C@@](C)(CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105492 690304797 /nfs/dbraw/zinc/30/47/97/690304797.db2.gz XPPDPKSLFVNHIK-HKUYNNGSSA-N 1 0 350.507 2.206 20 10 FECDRO Cc1cc(CNC(=S)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000899724323 690413548 /nfs/dbraw/zinc/41/35/48/690413548.db2.gz MOONZAPUMVXJKJ-QGZVFWFLSA-N 1 0 361.515 2.316 20 10 FECDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000902801582 690809125 /nfs/dbraw/zinc/80/91/25/690809125.db2.gz BPALTEVOAZPXQC-IEBWSBKVSA-N 1 0 366.527 2.359 20 10 FECDRO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc2ccccc2c1O ZINC000903226855 690869898 /nfs/dbraw/zinc/86/98/98/690869898.db2.gz POFNLBNCRLTYKO-LBPRGKRZSA-N 1 0 370.496 2.253 20 10 FECDRO [NH3+][C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1C(F)(F)F ZINC000903982177 690991624 /nfs/dbraw/zinc/99/16/24/690991624.db2.gz MLJPDJPYLVHZBS-HIFRSBDPSA-N 1 0 361.383 2.374 20 10 FECDRO C[C@]1(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)NC(=O)NC1=O ZINC000012183453 539548675 /nfs/dbraw/zinc/54/86/75/539548675.db2.gz JZNOIYPVLGTEFB-HXUWFJFHSA-N 1 0 353.422 2.356 20 10 FECDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000067592087 541485981 /nfs/dbraw/zinc/48/59/81/541485981.db2.gz MDECIXHZJOYGAC-GASCZTMLSA-N 1 0 351.466 2.396 20 10 FECDRO CC[N@H+](CCCS(C)(=O)=O)Cc1cc(Br)ccc1O ZINC000076118499 542235262 /nfs/dbraw/zinc/23/52/62/542235262.db2.gz WAZPDJKSUHQGSU-UHFFFAOYSA-N 1 0 350.278 2.411 20 10 FECDRO COc1cccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c1O ZINC000092505448 542867550 /nfs/dbraw/zinc/86/75/50/542867550.db2.gz SHIQESIBHMPKRO-UHFFFAOYSA-N 1 0 362.392 2.487 20 10 FECDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000115808141 543587738 /nfs/dbraw/zinc/58/77/38/543587738.db2.gz JWWOOXDATRJLAX-GOSISDBHSA-N 1 0 360.502 2.006 20 10 FECDRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120280276 543678255 /nfs/dbraw/zinc/67/82/55/543678255.db2.gz OZIBKIAYXBJXBQ-AWEZNQCLSA-N 1 0 361.417 2.336 20 10 FECDRO CC[C@H]([NH2+]CC(=O)N1CCOCC1)c1cc(Br)ccc1O ZINC000128826937 544075702 /nfs/dbraw/zinc/07/57/02/544075702.db2.gz QMXASHSOJQHLDV-ZDUSSCGKSA-N 1 0 357.248 2.054 20 10 FECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000171942254 546230490 /nfs/dbraw/zinc/23/04/90/546230490.db2.gz JFBBZNVLCQEIJT-UHFFFAOYSA-N 1 0 355.486 2.245 20 10 FECDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000172070643 546235515 /nfs/dbraw/zinc/23/55/15/546235515.db2.gz ZZCWIWWZIRGSGN-UHFFFAOYSA-N 1 0 370.453 2.260 20 10 FECDRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178666842 546829574 /nfs/dbraw/zinc/82/95/74/546829574.db2.gz MBAQAKBHHYVVAC-GOSISDBHSA-N 1 0 358.530 2.492 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179306830 546928408 /nfs/dbraw/zinc/92/84/08/546928408.db2.gz DSOUTEXQXWODBN-UHFFFAOYSA-N 1 0 362.518 2.340 20 10 FECDRO O=S(=O)(NC1CC[NH+](Cc2ccccc2O)CC1)c1cccs1 ZINC000179558336 546977245 /nfs/dbraw/zinc/97/72/45/546977245.db2.gz OXSHPBJTAQYZGY-UHFFFAOYSA-N 1 0 352.481 2.397 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1OC ZINC000180027552 547040730 /nfs/dbraw/zinc/04/07/30/547040730.db2.gz HQGOEQGKONJSFJ-MRXNPFEDSA-N 1 0 350.459 2.096 20 10 FECDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181224372 547273378 /nfs/dbraw/zinc/27/33/78/547273378.db2.gz YODQOIZQABKGEH-VQHVLOKHSA-N 1 0 356.422 2.407 20 10 FECDRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccccc2O)cc1F ZINC000187557237 548259984 /nfs/dbraw/zinc/25/99/84/548259984.db2.gz RCRXOUIGMDCIFO-UHFFFAOYSA-N 1 0 350.415 2.361 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000191836717 548351420 /nfs/dbraw/zinc/35/14/20/548351420.db2.gz RCAWEKQXQKUKPN-UHFFFAOYSA-N 1 0 369.870 2.410 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000490345208 561431528 /nfs/dbraw/zinc/43/15/28/561431528.db2.gz QXQYIMSZHHTVTQ-NVXWUHKLSA-N 1 0 358.486 2.083 20 10 FECDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)nc2)CC1 ZINC000262633342 549833493 /nfs/dbraw/zinc/83/34/93/549833493.db2.gz GIRQEHJYVZNZFL-UHFFFAOYSA-N 1 0 353.470 2.375 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H](C)OC)cc2F)CC1 ZINC000264351274 549994223 /nfs/dbraw/zinc/99/42/23/549994223.db2.gz MCRUXMVYPDIEFK-OAHLLOKOSA-N 1 0 366.481 2.192 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCCc4c3cnn4C)CC2)cc1 ZINC000268825788 550120176 /nfs/dbraw/zinc/12/01/76/550120176.db2.gz NGMCUOPGUYKNPM-HXUWFJFHSA-N 1 0 369.513 2.218 20 10 FECDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2F)C[C@H](C)O1 ZINC000268850029 550123673 /nfs/dbraw/zinc/12/36/73/550123673.db2.gz KADUCXKIWAZNGK-KBPBESRZSA-N 1 0 364.465 2.072 20 10 FECDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OC ZINC000271891960 550409176 /nfs/dbraw/zinc/40/91/76/550409176.db2.gz XHAOSQPQSQYRHN-DYVFJYSZSA-N 1 0 357.472 2.197 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CC(C)(C)OC1(C)C)cc2=O ZINC000274882489 550562449 /nfs/dbraw/zinc/56/24/49/550562449.db2.gz ZTCNRSMNOJHQQN-CYBMUJFWSA-N 1 0 362.430 2.047 20 10 FECDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143726 550754100 /nfs/dbraw/zinc/75/41/00/550754100.db2.gz BJEYLRAKHNKVCF-ZWNOBZJWSA-N 1 0 350.293 2.197 20 10 FECDRO COc1c(O)c(C[NH2+]CC(=O)N2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278941409 550838305 /nfs/dbraw/zinc/83/83/05/550838305.db2.gz XUHJZYJZGKFBKZ-UHFFFAOYSA-N 1 0 371.393 2.378 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2c[nH+]cn2c1 ZINC000284026012 551470457 /nfs/dbraw/zinc/47/04/57/551470457.db2.gz NYQIDZCEMPIHLK-UHFFFAOYSA-N 1 0 354.385 2.240 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284395409 551540299 /nfs/dbraw/zinc/54/02/99/551540299.db2.gz CLZXGPFBBWYYMF-UHFFFAOYSA-N 1 0 350.422 2.443 20 10 FECDRO CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c(O)c1 ZINC000284545424 551574215 /nfs/dbraw/zinc/57/42/15/551574215.db2.gz NJRKHIZNWMCHEY-DNVCBOLYSA-N 1 0 358.442 2.024 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)C1(C[NH3+])CCOCC1 ZINC000284987055 551684206 /nfs/dbraw/zinc/68/42/06/551684206.db2.gz SPRVENVUJAWJCB-UHFFFAOYSA-N 1 0 371.275 2.259 20 10 FECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000289570207 552342332 /nfs/dbraw/zinc/34/23/32/552342332.db2.gz JLXYLMKHJGRLSH-DYVFJYSZSA-N 1 0 351.834 2.307 20 10 FECDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000289857029 552389859 /nfs/dbraw/zinc/38/98/59/552389859.db2.gz GFHWLHCVCHRMKA-KPEUIFRASA-N 1 0 363.477 2.444 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)[C@H](C)OC)cc2F)CC1 ZINC000291038212 552578698 /nfs/dbraw/zinc/57/86/98/552578698.db2.gz ULJNZUHTEFONKX-CABCVRRESA-N 1 0 366.481 2.190 20 10 FECDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292860994 552765775 /nfs/dbraw/zinc/76/57/75/552765775.db2.gz VHBALTFYVCPTJR-GOSISDBHSA-N 1 0 351.516 2.143 20 10 FECDRO COC(=O)c1cn(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)nn1 ZINC000294555520 552915313 /nfs/dbraw/zinc/91/53/13/552915313.db2.gz LCQLNLZBCZUGNA-UHFFFAOYSA-N 1 0 357.458 2.276 20 10 FECDRO COC1CCN(c2ccc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)CC1 ZINC000295086062 552957581 /nfs/dbraw/zinc/95/75/81/552957581.db2.gz RPZHRSAXCZQQIW-FQEVSTJZSA-N 1 0 373.541 2.456 20 10 FECDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)cc2)CC1 ZINC000295348392 552991462 /nfs/dbraw/zinc/99/14/62/552991462.db2.gz NQKOEOCETZUHQV-APWZRJJASA-N 1 0 359.470 2.232 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1C[C@@H](OCC)C13CCC3)cc2=O ZINC000295846818 553067365 /nfs/dbraw/zinc/06/73/65/553067365.db2.gz DFWZOCNVLSEVLJ-LSDHHAIUSA-N 1 0 374.441 2.049 20 10 FECDRO CCn1ccnc1[C@H](C)[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000297856559 553348013 /nfs/dbraw/zinc/34/80/13/553348013.db2.gz TURKEESMECNCLF-KRWDZBQOSA-N 1 0 357.502 2.384 20 10 FECDRO CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000299043976 553507606 /nfs/dbraw/zinc/50/76/06/553507606.db2.gz RZZYFTSFRSEGCM-UHFFFAOYSA-N 1 0 374.529 2.179 20 10 FECDRO CNC(=O)CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364172417 555263086 /nfs/dbraw/zinc/26/30/86/555263086.db2.gz QKRJFKIRHLWZEP-OAHLLOKOSA-N 1 0 367.877 2.043 20 10 FECDRO COc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(O)c1 ZINC000366223713 555785844 /nfs/dbraw/zinc/78/58/44/555785844.db2.gz NAZSETNNJSBLRY-UHFFFAOYSA-N 1 0 370.453 2.260 20 10 FECDRO CCc1nc(CN2C[C@@H]3C[N@H+]([C@H](C)c4cc(OC)ccc4O)C[C@@H]3C2)no1 ZINC000368017600 556196273 /nfs/dbraw/zinc/19/62/73/556196273.db2.gz HVUZCFXKTQLQDE-KFWWJZLASA-N 1 0 372.469 2.471 20 10 FECDRO CCc1nc(CN2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCN4C)C2)no1 ZINC000368570109 556349431 /nfs/dbraw/zinc/34/94/31/556349431.db2.gz RDSYTPSCJJGWLL-QGZVFWFLSA-N 1 0 355.486 2.379 20 10 FECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000369026888 556480388 /nfs/dbraw/zinc/48/03/88/556480388.db2.gz JRPIOGGJTGVAJB-RTBURBONSA-N 1 0 360.502 2.195 20 10 FECDRO CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000369433371 556599532 /nfs/dbraw/zinc/59/95/32/556599532.db2.gz BJXFQAHIHLTNOO-WBVHZDCISA-N 1 0 369.513 2.467 20 10 FECDRO Cc1cc(Cl)cc(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000372812732 557567149 /nfs/dbraw/zinc/56/71/49/557567149.db2.gz RDLOHHXJCRLEFW-INIZCTEOSA-N 1 0 372.918 2.095 20 10 FECDRO Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)C2=O)n1 ZINC000373367733 557680436 /nfs/dbraw/zinc/68/04/36/557680436.db2.gz BBZSPGDJRPDVDL-LJQANCHMSA-N 1 0 353.470 2.132 20 10 FECDRO CN(C(=O)[C@@H]1CC12CC[NH+](Cc1cc3c(cc1O)OCO3)CC2)C1CC1 ZINC000374989345 557960156 /nfs/dbraw/zinc/96/01/56/557960156.db2.gz JKIQFRBNYRNOLF-HNNXBMFYSA-N 1 0 358.438 2.344 20 10 FECDRO COc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1O ZINC000377701567 558400837 /nfs/dbraw/zinc/40/08/37/558400837.db2.gz UBUSTSPCLCYTAJ-HOTGVXAUSA-N 1 0 364.442 2.270 20 10 FECDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378406289 558549541 /nfs/dbraw/zinc/54/95/41/558549541.db2.gz UTPSJWRAWRZQON-DZASIIFFSA-N 1 0 361.461 2.322 20 10 FECDRO O=C([C@@H]1CC12CC[NH+](Cc1cc3c(cc1O)OCO3)CC2)N1CCCC1 ZINC000378417373 558552374 /nfs/dbraw/zinc/55/23/74/558552374.db2.gz VGWTXMOUROCZMP-HNNXBMFYSA-N 1 0 358.438 2.345 20 10 FECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000444249519 560106952 /nfs/dbraw/zinc/10/69/52/560106952.db2.gz XBWOFBMDDLUEAY-HNNXBMFYSA-N 1 0 370.497 2.001 20 10 FECDRO COC[C@@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)OC ZINC000444363818 560111786 /nfs/dbraw/zinc/11/17/86/560111786.db2.gz KLESIRLUHAXKCW-MRXNPFEDSA-N 1 0 373.497 2.185 20 10 FECDRO CCN(CC)c1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1F ZINC000809694283 674505563 /nfs/dbraw/zinc/50/55/63/674505563.db2.gz MZILVURZSGIHNK-UHFFFAOYSA-N 1 0 371.522 2.433 20 10 FECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000809705769 674506298 /nfs/dbraw/zinc/50/62/98/674506298.db2.gz ZFBSCYAYNSYLEM-SJCJKPOMSA-N 1 0 367.833 2.007 20 10 FECDRO C[N@H+](CCCNC(=O)C(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000091530996 670728649 /nfs/dbraw/zinc/72/86/49/670728649.db2.gz RENMVGFCYFBELJ-UHFFFAOYSA-N 1 0 359.392 2.024 20 10 FECDRO COCCOC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000093339501 670752278 /nfs/dbraw/zinc/75/22/78/670752278.db2.gz IOPVGDAQMLVEOQ-UHFFFAOYSA-N 1 0 352.450 2.290 20 10 FECDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000093531369 670752914 /nfs/dbraw/zinc/75/29/14/670752914.db2.gz FTSZUPSKPOOKMM-QGZVFWFLSA-N 1 0 353.532 2.437 20 10 FECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NCC(F)F ZINC000094001504 670757282 /nfs/dbraw/zinc/75/72/82/670757282.db2.gz WHEGDQVXNALZHR-UHFFFAOYSA-N 1 0 352.429 2.283 20 10 FECDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc(N)cc1 ZINC000817956778 675187989 /nfs/dbraw/zinc/18/79/89/675187989.db2.gz CRRBAAZTVIXHHC-GFCCVEGCSA-N 1 0 350.260 2.414 20 10 FECDRO C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817934812 675187174 /nfs/dbraw/zinc/18/71/74/675187174.db2.gz CZBRMMARYCYVRU-NSHDSACASA-N 1 0 360.271 2.240 20 10 FECDRO CCN(CC)C(=O)CN(C)Cc1cc(Br)cc(OC)c1O ZINC000155096039 672227506 /nfs/dbraw/zinc/22/75/06/672227506.db2.gz KNTCSZUAEFOEFZ-UHFFFAOYSA-N 1 0 359.264 2.464 20 10 FECDRO Cc1cc(O)c(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1C ZINC000158324212 672268401 /nfs/dbraw/zinc/26/84/01/672268401.db2.gz GZHBTTIIOKOCGO-UHFFFAOYSA-N 1 0 354.497 2.481 20 10 FECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1O ZINC000177283500 672381725 /nfs/dbraw/zinc/38/17/25/672381725.db2.gz DEEBXJUBORKQRS-KRWDZBQOSA-N 1 0 350.434 2.421 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245812095 672825000 /nfs/dbraw/zinc/82/50/00/672825000.db2.gz ZOWGFLZOVOBMSE-RBUKOAKNSA-N 1 0 366.527 2.311 20 10 FECDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3=CC(=O)CS3)cc2)C1 ZINC000732283577 673362041 /nfs/dbraw/zinc/36/20/41/673362041.db2.gz OVEXNSBRJIIBPS-ZDUSSCGKSA-N 1 0 359.451 2.403 20 10 FECDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000733301626 673407787 /nfs/dbraw/zinc/40/77/87/673407787.db2.gz VNFMXCZZBOVVNM-HNNXBMFYSA-N 1 0 364.467 2.068 20 10 FECDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000818349937 675215578 /nfs/dbraw/zinc/21/55/78/675215578.db2.gz PQPWONNYQKSBDH-CQSZACIVSA-N 1 0 358.479 2.138 20 10 FECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)C3CCS(=O)(=O)CC3)C2)cc1 ZINC000818342118 675215648 /nfs/dbraw/zinc/21/56/48/675215648.db2.gz LWARQKZVPOLEQD-CVEARBPZSA-N 1 0 366.527 2.324 20 10 FECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)cc1F ZINC000818985228 675249850 /nfs/dbraw/zinc/24/98/50/675249850.db2.gz OVDPGERPLJORHD-CQSZACIVSA-N 1 0 355.454 2.257 20 10 FECDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000824601697 675613048 /nfs/dbraw/zinc/61/30/48/675613048.db2.gz MCXUKOJOPRTCGV-HNNXBMFYSA-N 1 0 355.276 2.451 20 10 FECDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000825279768 675645061 /nfs/dbraw/zinc/64/50/61/675645061.db2.gz XLQHFLPUYJTISX-UHFFFAOYSA-N 1 0 350.278 2.458 20 10 FECDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)cc1Cl ZINC000825903502 675673775 /nfs/dbraw/zinc/67/37/75/675673775.db2.gz JFCFWPFYBCOBPO-UHFFFAOYSA-N 1 0 365.905 2.340 20 10 FECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1O ZINC000826845338 675709828 /nfs/dbraw/zinc/70/98/28/675709828.db2.gz JARVFBCKJURKKE-LLVKDONJSA-N 1 0 367.247 2.277 20 10 FECDRO Oc1cc(Br)ccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000827549242 675764234 /nfs/dbraw/zinc/76/42/34/675764234.db2.gz FNTQTFQTZHOVIW-OAHLLOKOSA-N 1 0 355.276 2.498 20 10 FECDRO Cc1cc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)ccc1N(C)C ZINC000830462289 677041250 /nfs/dbraw/zinc/04/12/50/677041250.db2.gz QBJOIHXROBRESZ-INIZCTEOSA-N 1 0 351.491 2.378 20 10 FECDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000761088424 680710377 /nfs/dbraw/zinc/71/03/77/680710377.db2.gz SJKQPLCJXMLZSS-LBPRGKRZSA-N 1 0 363.845 2.294 20 10 FECDRO C[NH+](C)C1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCC1 ZINC000761348612 680720527 /nfs/dbraw/zinc/72/05/27/680720527.db2.gz DHUSXCZFVBYZDT-UHFFFAOYSA-N 1 0 351.834 2.294 20 10 FECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000840894939 680850581 /nfs/dbraw/zinc/85/05/81/680850581.db2.gz UGYOLXNXPHNXQX-OAHLLOKOSA-N 1 0 353.532 2.006 20 10 FECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000765794520 680855374 /nfs/dbraw/zinc/85/53/74/680855374.db2.gz CYSNMKKQWLNHPI-NEPJUHHUSA-N 1 0 357.248 2.168 20 10 FECDRO CCC[C@H](O)CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000750299660 680109767 /nfs/dbraw/zinc/10/97/67/680109767.db2.gz BSYBRUKFRNZUDW-INIZCTEOSA-N 1 0 351.466 2.135 20 10 FECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C2CCOCC2)cc1 ZINC000834892890 680280932 /nfs/dbraw/zinc/28/09/32/680280932.db2.gz XGNHJJYFMBKWFU-OAHLLOKOSA-N 1 0 354.516 2.387 20 10 FECDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000758055612 680552652 /nfs/dbraw/zinc/55/26/52/680552652.db2.gz KZYWVPGTALLKET-UHFFFAOYSA-N 1 0 357.495 2.043 20 10 FECDRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000760045782 680675194 /nfs/dbraw/zinc/67/51/94/680675194.db2.gz IZFOQNVXYGJYSP-MRXNPFEDSA-N 1 0 368.547 2.160 20 10 FECDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H]1C[NH3+] ZINC000841707551 680908259 /nfs/dbraw/zinc/90/82/59/680908259.db2.gz VNDIBNNYMSQTGM-WBVHZDCISA-N 1 0 362.543 2.366 20 10 FECDRO C[C@H](C[NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843943 680914506 /nfs/dbraw/zinc/91/45/06/680914506.db2.gz QCYHILPKDFFOQT-OLZOCXBDSA-N 1 0 356.417 2.151 20 10 FECDRO C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843650 680914509 /nfs/dbraw/zinc/91/45/09/680914509.db2.gz LBSFRJPETLDZNM-CHWSQXEVSA-N 1 0 356.417 2.293 20 10 FECDRO Cn1nccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768083683 680937513 /nfs/dbraw/zinc/93/75/13/680937513.db2.gz YQWZWYDWWXGXEV-OAHLLOKOSA-N 1 0 362.861 2.102 20 10 FECDRO COCCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000768236057 680941677 /nfs/dbraw/zinc/94/16/77/680941677.db2.gz GSAJNYGREQGUNL-UHFFFAOYSA-N 1 0 371.275 2.129 20 10 FECDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(Cl)cn3)CC1)[C@@H](O)CO2 ZINC000768438965 680947028 /nfs/dbraw/zinc/94/70/28/680947028.db2.gz CKALUCWGJHJYRN-INIZCTEOSA-N 1 0 361.829 2.189 20 10 FECDRO Cc1ccc(CS(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000842785620 680966321 /nfs/dbraw/zinc/96/63/21/680966321.db2.gz OSHKTLDINZXSNS-GOSISDBHSA-N 1 0 365.474 2.320 20 10 FECDRO COc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000842785090 680966353 /nfs/dbraw/zinc/96/63/53/680966353.db2.gz OOTVQLRSXDISQE-QGZVFWFLSA-N 1 0 363.483 2.048 20 10 FECDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843065815 680985556 /nfs/dbraw/zinc/98/55/56/680985556.db2.gz QIRMILOGHBSKCV-FQEVSTJZSA-N 1 0 350.503 2.161 20 10 FECDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1O ZINC000846145279 681188603 /nfs/dbraw/zinc/18/86/03/681188603.db2.gz PFDSWPIZCIFIHE-KSSFIOAISA-N 1 0 352.500 2.259 20 10 FECDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846213796 681202056 /nfs/dbraw/zinc/20/20/56/681202056.db2.gz KRLOWHUOPDXKRP-DNVCBOLYSA-N 1 0 352.450 2.245 20 10 FECDRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847591594 681400442 /nfs/dbraw/zinc/40/04/42/681400442.db2.gz XINZRLZJGZDXFZ-CYBMUJFWSA-N 1 0 364.833 2.177 20 10 FECDRO C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000779008001 681671573 /nfs/dbraw/zinc/67/15/73/681671573.db2.gz BLQKYTRFYPUCTB-HOTGVXAUSA-N 1 0 366.527 2.387 20 10 FECDRO CC(=O)OC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000779813545 681755601 /nfs/dbraw/zinc/75/56/01/681755601.db2.gz TYFHBDPIWVYMIL-HNNXBMFYSA-N 1 0 368.861 2.468 20 10 FECDRO CC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Br)ccc1O ZINC000850507417 681909793 /nfs/dbraw/zinc/90/97/93/681909793.db2.gz JJFMNQLFWIOGHA-GDBMZVCRSA-N 1 0 374.275 2.363 20 10 FECDRO C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000851657535 682101993 /nfs/dbraw/zinc/10/19/93/682101993.db2.gz FDONNNKCUAABJV-OLZOCXBDSA-N 1 0 356.417 2.164 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](CCF)C1)cc2=O ZINC000852533007 682296809 /nfs/dbraw/zinc/29/68/09/682296809.db2.gz ONDIPBZZIOYPFE-GFCCVEGCSA-N 1 0 350.394 2.183 20 10 FECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C(F)(F)F)CCOCC2)cc1 ZINC000852791608 682343591 /nfs/dbraw/zinc/34/35/91/682343591.db2.gz KMLRBPWYYBHUPX-CQSZACIVSA-N 1 0 359.392 2.228 20 10 FECDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000853519474 682426855 /nfs/dbraw/zinc/42/68/55/682426855.db2.gz CSAZQASWWUDZEV-HNNXBMFYSA-N 1 0 352.431 2.165 20 10 FECDRO CS(=O)(=O)[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H]1C(F)(F)F ZINC000853530354 682428650 /nfs/dbraw/zinc/42/86/50/682428650.db2.gz IBEHGQFQMQKKQL-UKRRQHHQSA-N 1 0 363.401 2.288 20 10 FECDRO OCCOC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC(F)(F)CC1 ZINC000858236339 682947919 /nfs/dbraw/zinc/94/79/19/682947919.db2.gz JIXFNILARKOEGV-UHFFFAOYSA-N 1 0 359.369 2.168 20 10 FECDRO COC(=O)/C=C\c1ccc(N2CC[NH+](CCCF)CC2)c([N+](=O)[O-])c1 ZINC000858598487 682983126 /nfs/dbraw/zinc/98/31/26/682983126.db2.gz FGKKZGWSBLKYOJ-XQRVVYSFSA-N 1 0 351.378 2.263 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000861549793 683434102 /nfs/dbraw/zinc/43/41/02/683434102.db2.gz QNDWNDZMBPNGTR-UKRRQHHQSA-N 1 0 358.408 2.421 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000861560051 683435374 /nfs/dbraw/zinc/43/53/74/683435374.db2.gz YFRKLWXRRUFRGK-KRWDZBQOSA-N 1 0 360.527 2.324 20 10 FECDRO C[C@H]([NH3+])CN(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000861572763 683436682 /nfs/dbraw/zinc/43/66/82/683436682.db2.gz WAOFGLWLDVVAII-LBPRGKRZSA-N 1 0 356.417 2.245 20 10 FECDRO Cc1c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)ccnc1F ZINC000862278589 683563866 /nfs/dbraw/zinc/56/38/66/683563866.db2.gz FZTYIBQRLDLADQ-UHFFFAOYSA-N 1 0 363.458 2.054 20 10 FECDRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922052171 683647223 /nfs/dbraw/zinc/64/72/23/683647223.db2.gz NTTQLYFXGBBQOI-UHFFFAOYSA-N 1 0 361.463 2.067 20 10 FECDRO COc1ccc(N2CCC([NH2+]CC(C)(C)CS(C)(=O)=O)CC2)cc1 ZINC000922736921 683775205 /nfs/dbraw/zinc/77/52/05/683775205.db2.gz OLGZEWICFKTSOQ-UHFFFAOYSA-N 1 0 354.516 2.324 20 10 FECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCS(=O)(=O)CC3)C2)cc1 ZINC000873132190 685078543 /nfs/dbraw/zinc/07/85/43/685078543.db2.gz KYOVIKWBSGKKNO-HOTGVXAUSA-N 1 0 352.500 2.078 20 10 FECDRO CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C[NH3+])cnn1C ZINC000876697775 686246539 /nfs/dbraw/zinc/24/65/39/686246539.db2.gz ALAVTUMFHSYBSS-UHFFFAOYSA-N 1 0 367.247 2.009 20 10 FECDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000877688800 686437479 /nfs/dbraw/zinc/43/74/79/686437479.db2.gz HVBFKESCRKQXBA-UHFFFAOYSA-N 1 0 364.467 2.000 20 10 FECDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000877706639 686441535 /nfs/dbraw/zinc/44/15/35/686441535.db2.gz IEVNUUNQLJOXRY-LJQANCHMSA-N 1 0 350.434 2.484 20 10 FECDRO C[NH+]1CCN(c2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000881850572 687233652 /nfs/dbraw/zinc/23/36/52/687233652.db2.gz YLVQJKDYADTICI-UHFFFAOYSA-N 1 0 360.439 2.338 20 10 FECDRO CCN(CCSC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889660909 688803644 /nfs/dbraw/zinc/80/36/44/688803644.db2.gz LVYIBQDOOYSOHU-UHFFFAOYSA-N 1 0 350.532 2.333 20 10 FECDRO COC(=O)c1c(C[NH2+][C@@H](C)CC[S@@](C)=O)c2cc(F)ccc2n1C ZINC000894332891 689511808 /nfs/dbraw/zinc/51/18/08/689511808.db2.gz JJDYETSRVWKSQA-APXPCNQMSA-N 1 0 354.447 2.351 20 10 FECDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](CN2CCOCC2)C1 ZINC000896684137 689916247 /nfs/dbraw/zinc/91/62/47/689916247.db2.gz PEYHOIWPKSUCLC-GFCCVEGCSA-N 1 0 362.451 2.107 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000898367649 690167572 /nfs/dbraw/zinc/16/75/72/690167572.db2.gz GFCPHESRGNKSNU-QWRGUYRKSA-N 1 0 364.833 2.479 20 10 FECDRO CN(C)c1ccc([C@@H](CNC(=O)NCCC(C)(C)CO)[NH+](C)C)cc1 ZINC000899098792 690303808 /nfs/dbraw/zinc/30/38/08/690303808.db2.gz RYYPZELZVQBKIX-QGZVFWFLSA-N 1 0 350.507 2.063 20 10 FECDRO CC[C@H](C[C@H](C)O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099156 690303856 /nfs/dbraw/zinc/30/38/56/690303856.db2.gz WFCDHUCKLNDSFE-LESCRADOSA-N 1 0 350.507 2.204 20 10 FECDRO CC(C)[C@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100994 690304411 /nfs/dbraw/zinc/30/44/11/690304411.db2.gz GBAVLYFBHTUHPP-PKOBYXMFSA-N 1 0 350.507 2.062 20 10 FECDRO CC[C@H](CCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102841 690304415 /nfs/dbraw/zinc/30/44/15/690304415.db2.gz SLWJUDAZFRSSHD-QAPCUYQASA-N 1 0 350.507 2.063 20 10 FECDRO CC[C@H]([NH2+]CCCc1nnnn1C)c1cc(Br)ccc1O ZINC000903348883 690883666 /nfs/dbraw/zinc/88/36/66/690883666.db2.gz NHBJXKVTPIXTHH-LBPRGKRZSA-N 1 0 354.252 2.352 20 10 FECDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)N(C)C)cc1 ZINC000903447859 690894827 /nfs/dbraw/zinc/89/48/27/690894827.db2.gz DMCUELQCAZEXMH-QYZOEREBSA-N 1 0 367.559 2.301 20 10 FECDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CC1(O)CCCC1 ZINC000905051921 691061689 /nfs/dbraw/zinc/06/16/89/691061689.db2.gz JHSABRNIVLASMV-SFHVURJKSA-N 1 0 350.528 2.386 20 10 FECDRO CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905333366 691102500 /nfs/dbraw/zinc/10/25/00/691102500.db2.gz BNRRAXWEIFHGNA-UHFFFAOYSA-N 1 0 353.532 2.292 20 10 FECDRO [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000906517758 691279175 /nfs/dbraw/zinc/27/91/75/691279175.db2.gz PCKZQFFFNQQCOP-KYZUINATSA-N 1 0 350.054 2.497 20 10 FECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1F ZINC000800308907 674040470 /nfs/dbraw/zinc/04/04/70/674040470.db2.gz DSOUAGPYCKRIBH-DOTOQJQBSA-N 1 0 371.522 2.479 20 10 FECDRO COC(=O)c1ccsc1N1CC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000072517876 541824932 /nfs/dbraw/zinc/82/49/32/541824932.db2.gz KKCGVDSLYJJKGQ-AWEZNQCLSA-N 1 0 360.435 2.478 20 10 FECDRO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000076587013 542296774 /nfs/dbraw/zinc/29/67/74/542296774.db2.gz CMSQDRJJQJWLLD-UHFFFAOYSA-N 1 0 368.481 2.112 20 10 FECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000089638588 542767571 /nfs/dbraw/zinc/76/75/71/542767571.db2.gz RQOUWSZEGBOGQB-UONOGXRCSA-N 1 0 358.479 2.136 20 10 FECDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090412161 542784511 /nfs/dbraw/zinc/78/45/11/542784511.db2.gz CMRPHCQMAJYGTA-ZBFHGGJFSA-N 1 0 364.465 2.117 20 10 FECDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011060 542837958 /nfs/dbraw/zinc/83/79/58/542837958.db2.gz XJGKEKJYLPDZAY-AZUAARDMSA-N 1 0 370.497 2.202 20 10 FECDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000092665999 542879433 /nfs/dbraw/zinc/87/94/33/542879433.db2.gz BCIOGBGUQSPENE-HOTGVXAUSA-N 1 0 361.486 2.111 20 10 FECDRO C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000097216648 543007585 /nfs/dbraw/zinc/00/75/85/543007585.db2.gz MACCBPZVVXBDDB-QGZVFWFLSA-N 1 0 360.502 2.054 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cnn(C)c3)cc2F)CC1 ZINC000106584758 543240351 /nfs/dbraw/zinc/24/03/51/543240351.db2.gz GOCTZKVRAYHBJU-UHFFFAOYSA-N 1 0 360.437 2.023 20 10 FECDRO O=S(=O)(C[C@H](O)C[NH2+]Cc1c(O)cccc1Cl)c1cccs1 ZINC000129442303 544113310 /nfs/dbraw/zinc/11/33/10/544113310.db2.gz BRVKRZTUAKDCAP-SNVBAGLBSA-N 1 0 361.872 2.032 20 10 FECDRO C[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000134753110 544320794 /nfs/dbraw/zinc/32/07/94/544320794.db2.gz DFRHUIZLXZENOQ-QGZVFWFLSA-N 1 0 358.530 2.318 20 10 FECDRO CC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1O ZINC000806171039 674369721 /nfs/dbraw/zinc/36/97/21/674369721.db2.gz PRBAJXATCDDCSD-ZBFHGGJFSA-N 1 0 355.504 2.012 20 10 FECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000157064202 545696539 /nfs/dbraw/zinc/69/65/39/545696539.db2.gz YMGVMISZCSRLBX-OAHLLOKOSA-N 1 0 362.470 2.404 20 10 FECDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157358419 545732584 /nfs/dbraw/zinc/73/25/84/545732584.db2.gz REDIURUOCRORBP-HXUWFJFHSA-N 1 0 358.530 2.319 20 10 FECDRO Cc1nn(C)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158089722 545821333 /nfs/dbraw/zinc/82/13/33/545821333.db2.gz UVXRICHFEUXYCN-OAHLLOKOSA-N 1 0 362.861 2.482 20 10 FECDRO CCOc1ccc(O)c(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000158312334 545847696 /nfs/dbraw/zinc/84/76/96/545847696.db2.gz HJNYBQSOKQPYRY-UHFFFAOYSA-N 1 0 370.496 2.263 20 10 FECDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000159408812 545950605 /nfs/dbraw/zinc/95/06/05/545950605.db2.gz RBPSTGAJAQDGDT-OAHLLOKOSA-N 1 0 356.488 2.085 20 10 FECDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000166290108 546156285 /nfs/dbraw/zinc/15/62/85/546156285.db2.gz QJFLWBBDYUOLJI-CYBMUJFWSA-N 1 0 353.413 2.373 20 10 FECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(F)cc(C(C)=O)c1O)CC2 ZINC000175715607 546338456 /nfs/dbraw/zinc/33/84/56/546338456.db2.gz WGMBYJZBLCKTCV-IRXDYDNUSA-N 1 0 351.418 2.486 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000175786198 546349404 /nfs/dbraw/zinc/34/94/04/546349404.db2.gz TUCQLPJYENZXTP-KRWDZBQOSA-N 1 0 362.518 2.197 20 10 FECDRO COc1cc(N2CC[NH+](CCc3ccccn3)CC2)cc(OC)c1OC ZINC000183701025 547704262 /nfs/dbraw/zinc/70/42/62/547704262.db2.gz XGFBNWFUNNSWAB-UHFFFAOYSA-N 1 0 357.454 2.472 20 10 FECDRO COc1cc(O)c(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000191807181 548351498 /nfs/dbraw/zinc/35/14/98/548351498.db2.gz VJJGAWBAXYNMJK-INIZCTEOSA-N 1 0 374.412 2.439 20 10 FECDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000264324259 549994717 /nfs/dbraw/zinc/99/47/17/549994717.db2.gz UYRBZRJMNMEJSU-HXUWFJFHSA-N 1 0 372.513 2.293 20 10 FECDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000264679149 549999548 /nfs/dbraw/zinc/99/95/48/549999548.db2.gz YZUNWYPIGCOAIW-XXGTVTCJSA-N 1 0 355.482 2.279 20 10 FECDRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000264947542 550004108 /nfs/dbraw/zinc/00/41/08/550004108.db2.gz JEJWLAKUNZAIKL-UHFFFAOYSA-N 1 0 368.833 2.400 20 10 FECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCCS3)CC2)cc1 ZINC000266612680 550021903 /nfs/dbraw/zinc/02/19/03/550021903.db2.gz RNXOCJHYONOWNX-GOSISDBHSA-N 1 0 363.527 2.219 20 10 FECDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C2CC2)cc1 ZINC000267928582 550035808 /nfs/dbraw/zinc/03/58/08/550035808.db2.gz KWSXMYPTEVQTAP-KRWDZBQOSA-N 1 0 365.543 2.389 20 10 FECDRO CC(=O)c1cc(Cl)cc(CN2CCN(c3nc(N)ns3)CC2)c1O ZINC000268287887 550045099 /nfs/dbraw/zinc/04/50/99/550045099.db2.gz IBBFXQAMKNDYSH-UHFFFAOYSA-N 1 0 367.862 2.004 20 10 FECDRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000268493234 550075496 /nfs/dbraw/zinc/07/54/96/550075496.db2.gz QMGJVGPJSKGTQE-UHFFFAOYSA-N 1 0 374.529 2.104 20 10 FECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)c3cn[nH]c3)cc2F)CC1 ZINC000270313374 550260686 /nfs/dbraw/zinc/26/06/86/550260686.db2.gz QDMSBHLOHGTWOP-AWEZNQCLSA-N 1 0 374.464 2.251 20 10 FECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccccc1OC)cc2=O ZINC000271730152 550398528 /nfs/dbraw/zinc/39/85/28/550398528.db2.gz TZOUCTVVZGDXIJ-LBPRGKRZSA-N 1 0 370.409 2.471 20 10 FECDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000274733881 550551037 /nfs/dbraw/zinc/55/10/37/550551037.db2.gz BLCPCQVFBPXNJO-CYBMUJFWSA-N 1 0 363.435 2.381 20 10 FECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275386135 550571841 /nfs/dbraw/zinc/57/18/41/550571841.db2.gz BTMDUCJSWMJNDT-UHFFFAOYSA-N 1 0 360.502 2.149 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3nccnc3C)CC2)cc1 ZINC000275903061 550575133 /nfs/dbraw/zinc/57/51/33/550575133.db2.gz SMZCJBFZDCORJP-KRWDZBQOSA-N 1 0 355.486 2.266 20 10 FECDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1O ZINC000277412805 550667361 /nfs/dbraw/zinc/66/73/61/550667361.db2.gz UCJGOVFRFOYTNK-INIZCTEOSA-N 1 0 356.422 2.119 20 10 FECDRO CC(=O)c1cc(F)cc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1O ZINC000278410922 550782778 /nfs/dbraw/zinc/78/27/78/550782778.db2.gz HNLDTMXOVLYFEW-ZDUSSCGKSA-N 1 0 350.434 2.419 20 10 FECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000280147960 550965254 /nfs/dbraw/zinc/96/52/54/550965254.db2.gz XABBKNOXVHKECX-LLVKDONJSA-N 1 0 362.289 2.411 20 10 FECDRO Cc1ccc([C@H]([NH3+])C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000280748263 551028066 /nfs/dbraw/zinc/02/80/66/551028066.db2.gz PQFYQXSLSIPYIY-FQEVSTJZSA-N 1 0 371.456 2.411 20 10 FECDRO CCn1nccc1CC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000284293958 551516594 /nfs/dbraw/zinc/51/65/94/551516594.db2.gz GHFFFTXFTUUYLV-UHFFFAOYSA-N 1 0 374.485 2.294 20 10 FECDRO Oc1cc2c(cc1C[NH2+]CCCn1cc(Br)cn1)OCO2 ZINC000288479107 552160425 /nfs/dbraw/zinc/16/04/25/552160425.db2.gz POZLTJSWMOHIKF-UHFFFAOYSA-N 1 0 354.204 2.260 20 10 FECDRO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1O ZINC000289877297 552393409 /nfs/dbraw/zinc/39/34/09/552393409.db2.gz RTQYCVKRLALCST-UHFFFAOYSA-N 1 0 365.905 2.340 20 10 FECDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290247064 552447785 /nfs/dbraw/zinc/44/77/85/552447785.db2.gz VGVJDSQPENCAGY-LBPRGKRZSA-N 1 0 353.375 2.020 20 10 FECDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000294791262 552934362 /nfs/dbraw/zinc/93/43/62/552934362.db2.gz DIOZKIHKPNJEKV-UHFFFAOYSA-N 1 0 362.401 2.150 20 10 FECDRO COC1CCN(c2ccc(C[NH+]3CCN(c4nccn4C)CC3)cc2)CC1 ZINC000294889972 552941625 /nfs/dbraw/zinc/94/16/25/552941625.db2.gz GBFIOWSTHKRIOB-UHFFFAOYSA-N 1 0 369.513 2.358 20 10 FECDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296562105 553180273 /nfs/dbraw/zinc/18/02/73/553180273.db2.gz UKNXCFGZVPFKCY-HNNXBMFYSA-N 1 0 362.407 2.351 20 10 FECDRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296701397 553200023 /nfs/dbraw/zinc/20/00/23/553200023.db2.gz HQOXTTGFWBZYOI-ZDUSSCGKSA-N 1 0 360.426 2.234 20 10 FECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000298540238 553437751 /nfs/dbraw/zinc/43/77/51/553437751.db2.gz BGMXIKHAKXTSFX-QGZVFWFLSA-N 1 0 373.497 2.075 20 10 FECDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298761486 553469270 /nfs/dbraw/zinc/46/92/70/553469270.db2.gz VHPKTBXUJLMYSH-UHFFFAOYSA-N 1 0 374.529 2.045 20 10 FECDRO Cc1cccc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)c1O ZINC000362043024 554945762 /nfs/dbraw/zinc/94/57/62/554945762.db2.gz VPFGVGPMZUAAPZ-HNNXBMFYSA-N 1 0 352.442 2.145 20 10 FECDRO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363706154 555168127 /nfs/dbraw/zinc/16/81/27/555168127.db2.gz AEPZZRWNKALUGG-SWLSCSKDSA-N 1 0 366.845 2.079 20 10 FECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000363867386 555202714 /nfs/dbraw/zinc/20/27/14/555202714.db2.gz QEZPLLXGJFWAJF-WLYUNCDWSA-N 1 0 368.499 2.398 20 10 FECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)c1 ZINC000364699559 555377979 /nfs/dbraw/zinc/37/79/79/555377979.db2.gz UAPLVXOTPAIZIF-MGPUTAFESA-N 1 0 372.469 2.060 20 10 FECDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000367069474 556000754 /nfs/dbraw/zinc/00/07/54/556000754.db2.gz WKMQLTDGGVBCLC-JBYOLUDKSA-N 1 0 357.498 2.356 20 10 FECDRO CCOC(=O)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367176126 556002889 /nfs/dbraw/zinc/00/28/89/556002889.db2.gz GUNFFHDVESWYBW-AWEZNQCLSA-N 1 0 354.834 2.079 20 10 FECDRO Cc1cc(Cl)cc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000372812733 557567351 /nfs/dbraw/zinc/56/73/51/557567351.db2.gz RDLOHHXJCRLEFW-MRXNPFEDSA-N 1 0 372.918 2.095 20 10 FECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000373189983 557646966 /nfs/dbraw/zinc/64/69/66/557646966.db2.gz KEDJEOUEWVQKRB-SJKOYZFVSA-N 1 0 351.834 2.164 20 10 FECDRO COc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)c1O ZINC000377296154 558308626 /nfs/dbraw/zinc/30/86/26/558308626.db2.gz CZGHCSHMJVABED-HNAYVOBHSA-N 1 0 372.469 2.060 20 10 FECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377621718 558379014 /nfs/dbraw/zinc/37/90/14/558379014.db2.gz GHMHLZSHYJSSFA-JOCHJYFZSA-N 1 0 372.557 2.124 20 10 FECDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC000377692904 558398737 /nfs/dbraw/zinc/39/87/37/558398737.db2.gz HAYJGDLZBAGWRW-UHFFFAOYSA-N 1 0 362.455 2.493 20 10 FECDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422374531 559583088 /nfs/dbraw/zinc/58/30/88/559583088.db2.gz FUGQGIWGJUYTQT-UHFFFAOYSA-N 1 0 370.497 2.092 20 10 FECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c1O ZINC000808694919 674468893 /nfs/dbraw/zinc/46/88/93/674468893.db2.gz CHJNURWWWOANFT-RDJZCZTQSA-N 1 0 367.921 2.411 20 10 FECDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000108557715 670830163 /nfs/dbraw/zinc/83/01/63/670830163.db2.gz WMHAKONXZHRSDJ-QGZVFWFLSA-N 1 0 362.543 2.381 20 10 FECDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCC1 ZINC000817577243 675148854 /nfs/dbraw/zinc/14/88/54/675148854.db2.gz GWTQYJWFTQZYBU-MRXNPFEDSA-N 1 0 366.527 2.359 20 10 FECDRO COC[C@]1(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC[NH2+]1 ZINC000817974386 675188675 /nfs/dbraw/zinc/18/86/75/675188675.db2.gz LCGRSIHQLWSVFK-DNVCBOLYSA-N 1 0 351.466 2.082 20 10 FECDRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982245 675189022 /nfs/dbraw/zinc/18/90/22/675189022.db2.gz PTAGCWCXRXCFBM-HOCLYGCPSA-N 1 0 353.894 2.206 20 10 FECDRO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000120164392 671918981 /nfs/dbraw/zinc/91/89/81/671918981.db2.gz FNVCRLIMAFCSFX-CRAIPNDOSA-N 1 0 363.527 2.138 20 10 FECDRO COc1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000178847324 672395830 /nfs/dbraw/zinc/39/58/30/672395830.db2.gz LNBIJUDLBHKEHC-UHFFFAOYSA-N 1 0 370.515 2.166 20 10 FECDRO CN(C)S(=O)(=O)CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000728688819 673209210 /nfs/dbraw/zinc/20/92/10/673209210.db2.gz ZPTJBWCCTPYMJB-UHFFFAOYSA-N 1 0 353.532 2.390 20 10 FECDRO C[N@@H+]1CC[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000729532387 673238539 /nfs/dbraw/zinc/23/85/39/673238539.db2.gz YPUWGRLCOKKINN-ZDUSSCGKSA-N 1 0 353.413 2.325 20 10 FECDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000824242626 675591338 /nfs/dbraw/zinc/59/13/38/675591338.db2.gz RPZHBUNJRCECOX-KRWDZBQOSA-N 1 0 365.524 2.247 20 10 FECDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1Cl ZINC000824529417 675608781 /nfs/dbraw/zinc/60/87/81/675608781.db2.gz KOMKBXGKMHYELO-UHFFFAOYSA-N 1 0 352.862 2.425 20 10 FECDRO Cc1cc(O)c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1Cl ZINC000824709575 675617607 /nfs/dbraw/zinc/61/76/07/675617607.db2.gz MFPHLYUWJGDRNY-UHFFFAOYSA-N 1 0 351.878 2.094 20 10 FECDRO Oc1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000824708962 675617638 /nfs/dbraw/zinc/61/76/38/675617638.db2.gz IXJHPXBUIUSVCW-HUUCEWRRSA-N 1 0 355.276 2.186 20 10 FECDRO CCOc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000824737534 675619247 /nfs/dbraw/zinc/61/92/47/675619247.db2.gz BWBWEKRDGVWCND-UHFFFAOYSA-N 1 0 364.467 2.331 20 10 FECDRO CN(C)c1ccc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000824738431 675619473 /nfs/dbraw/zinc/61/94/73/675619473.db2.gz MZFMSMNZCGITMH-UHFFFAOYSA-N 1 0 365.474 2.432 20 10 FECDRO COCCC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825347770 675647646 /nfs/dbraw/zinc/64/76/46/675647646.db2.gz RTINNXYHILAVFX-UHFFFAOYSA-N 1 0 371.275 2.272 20 10 FECDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)nn1 ZINC000825514664 675656998 /nfs/dbraw/zinc/65/69/98/675656998.db2.gz ROWOARVCLZACKQ-GFCCVEGCSA-N 1 0 350.806 2.179 20 10 FECDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CC12COC2 ZINC000826029695 675678710 /nfs/dbraw/zinc/67/87/10/675678710.db2.gz JCBMQRNXEYDOQQ-CYBMUJFWSA-N 1 0 370.243 2.166 20 10 FECDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000827321322 675748256 /nfs/dbraw/zinc/74/82/56/675748256.db2.gz UTAWBZRJFTURLG-RBUKOAKNSA-N 1 0 359.539 2.492 20 10 FECDRO Cc1cc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827641033 675770165 /nfs/dbraw/zinc/77/01/65/675770165.db2.gz GFIHCJBEKAXUCS-SFHVURJKSA-N 1 0 365.543 2.499 20 10 FECDRO COc1ccc(N2CCN(C(=O)CSCC3CC[NH2+]CC3)CC2)cc1 ZINC000830470185 677041571 /nfs/dbraw/zinc/04/15/71/677041571.db2.gz DLRWULAKPYPVRW-UHFFFAOYSA-N 1 0 363.527 2.077 20 10 FECDRO [NH3+][C@H](CC(F)F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665331 677053346 /nfs/dbraw/zinc/05/33/46/677053346.db2.gz UNLIRPWCCSHWCD-GXFFZTMASA-N 1 0 363.355 2.356 20 10 FECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1 ZINC000839175473 680743053 /nfs/dbraw/zinc/74/30/53/680743053.db2.gz QBASGYNWSFSDPH-GUYCJALGSA-N 1 0 351.443 2.467 20 10 FECDRO COc1ccc(O)c(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000839683249 680771815 /nfs/dbraw/zinc/77/18/15/680771815.db2.gz DXHJDKQHQDUYKV-HNNXBMFYSA-N 1 0 350.484 2.235 20 10 FECDRO COc1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c(O)c1 ZINC000839746901 680776226 /nfs/dbraw/zinc/77/62/26/680776226.db2.gz BYPDNUYEVIAEOH-OAHLLOKOSA-N 1 0 350.484 2.235 20 10 FECDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000764788705 680821034 /nfs/dbraw/zinc/82/10/34/680821034.db2.gz BOFPAGCNJKSYIC-LLVKDONJSA-N 1 0 354.248 2.191 20 10 FECDRO COCCNC(=O)C1([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000840822786 680844754 /nfs/dbraw/zinc/84/47/54/680844754.db2.gz QRUXPICCXYWARP-NSHDSACASA-N 1 0 371.275 2.409 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000840940857 680855370 /nfs/dbraw/zinc/85/53/70/680855370.db2.gz MUFUUIKMXXSLGR-GOSISDBHSA-N 1 0 351.516 2.061 20 10 FECDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000840955767 680857100 /nfs/dbraw/zinc/85/71/00/680857100.db2.gz YZNDDBCXFMDTGT-HYXAFXHYSA-N 1 0 363.527 2.266 20 10 FECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000840950822 680856383 /nfs/dbraw/zinc/85/63/83/680856383.db2.gz OSHQXNAGZRLSSX-KRWDZBQOSA-N 1 0 351.491 2.378 20 10 FECDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000748648060 679984304 /nfs/dbraw/zinc/98/43/04/679984304.db2.gz UWXCAZWZWLUHEF-YVEFUNNKSA-N 1 0 353.488 2.198 20 10 FECDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000749971504 680092427 /nfs/dbraw/zinc/09/24/27/680092427.db2.gz JVZVWTHSUXQPTI-AWEZNQCLSA-N 1 0 364.467 2.068 20 10 FECDRO CN(CC[NH2+][C@@H]1CCc2cccc(O)c21)S(=O)(=O)c1ccc(F)cc1 ZINC000834790733 680267967 /nfs/dbraw/zinc/26/79/67/680267967.db2.gz VIMIKDABRVWDLJ-MRXNPFEDSA-N 1 0 364.442 2.429 20 10 FECDRO CCS(=O)(=O)N1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835035718 680289020 /nfs/dbraw/zinc/28/90/20/680289020.db2.gz KDUBRFSIOIVYGO-AATRIKPKSA-N 1 0 351.516 2.170 20 10 FECDRO C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756605717 680488502 /nfs/dbraw/zinc/48/85/02/680488502.db2.gz UPSCACRAMTXAHH-SNVBAGLBSA-N 1 0 361.255 2.401 20 10 FECDRO CC(C)C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(=O)NCC[NH+](C)C ZINC000756858348 680502092 /nfs/dbraw/zinc/50/20/92/680502092.db2.gz OCYGLEUCMCIPKU-LRDDRELGSA-N 1 0 357.445 2.414 20 10 FECDRO Nc1ccc(Cc2nc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cs2)cc1 ZINC000841857153 680915110 /nfs/dbraw/zinc/91/51/10/680915110.db2.gz RERXXCANZCYQCJ-GFCCVEGCSA-N 1 0 358.389 2.326 20 10 FECDRO Cc1cc(Br)c(O)c(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC000841891690 680916436 /nfs/dbraw/zinc/91/64/36/680916436.db2.gz OOUGJELJIHGASS-STQMWFEESA-N 1 0 357.292 2.350 20 10 FECDRO Cc1nc(Cl)ccc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784968 680966309 /nfs/dbraw/zinc/96/63/09/680966309.db2.gz IYYTWXPOXUDVIC-CQSZACIVSA-N 1 0 368.890 2.088 20 10 FECDRO Cc1ccc(F)c(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842784876 680966358 /nfs/dbraw/zinc/96/63/58/680966358.db2.gz MTALAQKHRPQKOR-MRXNPFEDSA-N 1 0 351.447 2.178 20 10 FECDRO COCC[NH2+]C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000846153607 681190552 /nfs/dbraw/zinc/19/05/52/681190552.db2.gz ICIFFZMZJWXQPA-UHFFFAOYSA-N 1 0 358.533 2.035 20 10 FECDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000846163437 681192663 /nfs/dbraw/zinc/19/26/63/681192663.db2.gz AJKMEFWNYJRXBO-CYBMUJFWSA-N 1 0 365.451 2.018 20 10 FECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1OC ZINC000848930918 681643790 /nfs/dbraw/zinc/64/37/90/681643790.db2.gz YTTUMFVKBBZGNK-INIZCTEOSA-N 1 0 350.459 2.096 20 10 FECDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)CSCCF)CC2)cc1 ZINC000850428243 681901072 /nfs/dbraw/zinc/90/10/72/681901072.db2.gz DTQCARANDUATJI-INIZCTEOSA-N 1 0 355.523 2.498 20 10 FECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C3CCS(=O)(=O)CC3)C2)cc1 ZINC000850489192 681907376 /nfs/dbraw/zinc/90/73/76/681907376.db2.gz RWKWMXYGHSUAEA-GOEBONIOSA-N 1 0 352.500 2.077 20 10 FECDRO COc1ccc(N2CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC2)cc1F ZINC000852814166 682346216 /nfs/dbraw/zinc/34/62/16/682346216.db2.gz PDJJOECZYYLETN-HNNXBMFYSA-N 1 0 351.466 2.494 20 10 FECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2c(O)cccc2Br)n1 ZINC000858328093 682957789 /nfs/dbraw/zinc/95/77/89/682957789.db2.gz GMIVEKMRYRZJBM-WCQYABFASA-N 1 0 354.204 2.466 20 10 FECDRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000795656284 683077980 /nfs/dbraw/zinc/07/79/80/683077980.db2.gz ILDFTAUQWAYQBP-KRWDZBQOSA-N 1 0 352.500 2.127 20 10 FECDRO CS(=O)(=O)NCC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000795678637 683079989 /nfs/dbraw/zinc/07/99/89/683079989.db2.gz NMFHMQCEGQRJFG-UHFFFAOYSA-N 1 0 352.500 2.032 20 10 FECDRO C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000927135656 683211164 /nfs/dbraw/zinc/21/11/64/683211164.db2.gz ZWTSYJRITOAZPF-SCLBCKFNSA-N 1 0 364.877 2.294 20 10 FECDRO C[N@H+](CC[S@](=O)C(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000929184278 683559249 /nfs/dbraw/zinc/55/92/49/683559249.db2.gz DDSSNANCTZVNKS-QHCPKHFHSA-N 1 0 350.406 2.224 20 10 FECDRO C[C@]1(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCS1 ZINC000862278401 683564030 /nfs/dbraw/zinc/56/40/30/683564030.db2.gz CBUFPICTXYDRRL-QGZVFWFLSA-N 1 0 354.541 2.297 20 10 FECDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3c(O)cccc3Br)[C@H]2C1 ZINC000862377638 683580340 /nfs/dbraw/zinc/58/03/40/683580340.db2.gz JWZVXHACVGKVJC-GOEBONIOSA-N 1 0 355.276 2.450 20 10 FECDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862552309 683600851 /nfs/dbraw/zinc/60/08/51/683600851.db2.gz VVBALRLWGUWDRP-XQDHMALISA-N 1 0 351.516 2.027 20 10 FECDRO COc1cc(Br)cc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)c1O ZINC000922488912 683733876 /nfs/dbraw/zinc/73/38/76/683733876.db2.gz MISCSRVJGMVJNP-SNVBAGLBSA-N 1 0 357.248 2.121 20 10 FECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCSC[C@H]34)cc2)CC1 ZINC000922522595 683740257 /nfs/dbraw/zinc/74/02/57/683740257.db2.gz DEHYGLLWWSTNAS-WOJBJXKFSA-N 1 0 361.555 2.317 20 10 FECDRO C[C@@H](NCC1([NH3+])CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000863540817 683740363 /nfs/dbraw/zinc/74/03/63/683740363.db2.gz HZRDFYMQXLGRGG-CQSZACIVSA-N 1 0 353.894 2.335 20 10 FECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCSC[C@@H]34)cc2)CC1 ZINC000922522591 683740405 /nfs/dbraw/zinc/74/04/05/683740405.db2.gz DEHYGLLWWSTNAS-UXHICEINSA-N 1 0 361.555 2.317 20 10 FECDRO CC(C)(C)c1cc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000922822790 683788088 /nfs/dbraw/zinc/78/80/88/683788088.db2.gz OTFMFASYVICAQZ-OAHLLOKOSA-N 1 0 371.543 2.482 20 10 FECDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]2O1 ZINC000922875155 683795551 /nfs/dbraw/zinc/79/55/51/683795551.db2.gz NKGUPOZHALBDIE-GJWQZFMSSA-N 1 0 350.434 2.434 20 10 FECDRO O[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000865666278 684012245 /nfs/dbraw/zinc/01/22/45/684012245.db2.gz LYTXJEUSVYCTAG-GOEBONIOSA-N 1 0 355.276 2.289 20 10 FECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)c2c1 ZINC000872797198 685017007 /nfs/dbraw/zinc/01/70/07/685017007.db2.gz XLUIBCFARKGKMP-HUUCEWRRSA-N 1 0 361.463 2.421 20 10 FECDRO COc1ccc(C[NH2+]C[C@]2(N(C)C)CCSC2)cc1Cn1cccn1 ZINC000873070244 685063843 /nfs/dbraw/zinc/06/38/43/685063843.db2.gz QUODTELEKNANEA-LJQANCHMSA-N 1 0 360.527 2.467 20 10 FECDRO [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000876776594 686266781 /nfs/dbraw/zinc/26/67/81/686266781.db2.gz IKLQORJRBQWYJH-UONOGXRCSA-N 1 0 351.397 2.421 20 10 FECDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccccc1O ZINC000879648230 686879752 /nfs/dbraw/zinc/87/97/52/686879752.db2.gz FUXNGUMIHICVKZ-OLZOCXBDSA-N 1 0 362.451 2.474 20 10 FECDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CCC3CCC3)cc2)CC1 ZINC000882663339 687431751 /nfs/dbraw/zinc/43/17/51/687431751.db2.gz VXRSJOUEXGRVSZ-UHFFFAOYSA-N 1 0 351.516 2.048 20 10 FECDRO CCOc1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c(O)c1 ZINC000883291405 687601130 /nfs/dbraw/zinc/60/11/30/687601130.db2.gz DBFGLKWQUCQJAD-UHFFFAOYSA-N 1 0 356.488 2.131 20 10 FECDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CCCC3CC3)cc2)CC1 ZINC000885353957 688061889 /nfs/dbraw/zinc/06/18/89/688061889.db2.gz KTQZLJCVFWLXFI-UHFFFAOYSA-N 1 0 351.516 2.048 20 10 FECDRO CN(C)c1ccc(CNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1F ZINC000891456517 689064067 /nfs/dbraw/zinc/06/40/67/689064067.db2.gz OZAVHDJWQUBROW-NWDGAFQWSA-N 1 0 362.371 2.170 20 10 FECDRO COc1ccc(C[NH2+]CC(C)(C)N2CCC(OC)CC2)c(O)c1OC ZINC000892972384 689273824 /nfs/dbraw/zinc/27/38/24/689273824.db2.gz XYDJVSHJSQEVRP-UHFFFAOYSA-N 1 0 352.475 2.388 20 10 FECDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893677339 689384549 /nfs/dbraw/zinc/38/45/49/689384549.db2.gz RLMULDAMGPHLOM-GXTWGEPZSA-N 1 0 352.431 2.366 20 10 FECDRO Cc1nnc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000894097417 689466084 /nfs/dbraw/zinc/46/60/84/689466084.db2.gz BXTAATXZGXQKEF-HNNXBMFYSA-N 1 0 362.503 2.015 20 10 FECDRO COc1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c(O)c1OC ZINC000894633780 689570516 /nfs/dbraw/zinc/57/05/16/689570516.db2.gz HLUIFNOBHIATJD-SFHVURJKSA-N 1 0 351.443 2.067 20 10 FECDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896612517 689906227 /nfs/dbraw/zinc/90/62/27/689906227.db2.gz HRBDNSIUFMTEPI-ZDUSSCGKSA-N 1 0 364.467 2.495 20 10 FECDRO O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896748706 689925441 /nfs/dbraw/zinc/92/54/41/689925441.db2.gz LOMZAPFGBHLMLE-AWEZNQCLSA-N 1 0 353.850 2.098 20 10 FECDRO Cc1cccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c1O ZINC000897273768 689998594 /nfs/dbraw/zinc/99/85/94/689998594.db2.gz WHCAFVCHDYBFQC-UHFFFAOYSA-N 1 0 352.500 2.481 20 10 FECDRO COC(=O)c1cnc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898446762 690185791 /nfs/dbraw/zinc/18/57/91/690185791.db2.gz AFOVHZZUBVARHJ-HNNXBMFYSA-N 1 0 362.499 2.388 20 10 FECDRO CC[C@H](O)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101871 690304296 /nfs/dbraw/zinc/30/42/96/690304296.db2.gz MUYBNLVULUABLI-ROUUACIJSA-N 1 0 350.507 2.206 20 10 FECDRO CC[C@H](CCO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102839 690304377 /nfs/dbraw/zinc/30/43/77/690304377.db2.gz SLWJUDAZFRSSHD-CRAIPNDOSA-N 1 0 350.507 2.063 20 10 FECDRO C[C@H](O)C[C@H](C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102500 690304423 /nfs/dbraw/zinc/30/44/23/690304423.db2.gz QBAQPYKKMGUVEO-MPGHIAIKSA-N 1 0 350.507 2.062 20 10 FECDRO [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cccc(Br)c1[O-])CC2 ZINC000904390721 691024027 /nfs/dbraw/zinc/02/40/27/691024027.db2.gz BQDROGDKICXBCB-CYBMUJFWSA-N 1 0 355.276 2.485 20 10 FECDRO