smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)O[C@@]2([C@@H]3C[C@H](Cc4ccc(O)cc4)CC4(CCCC4)C3)CC[C@@H]1[C@H]([NH3+])C2 ZINC000085543232 291145964 /nfs/dbraw/zinc/14/59/64/291145964.db2.gz GLCLDJUOIJUHDI-CMOHQRLCSA-N 1 0 397.603 5.586 1 0 biogenic,in-vitro GKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3cccc(O)c3n2)cc1 ZINC000001533188 209331988 /nfs/dbraw/zinc/33/19/88/209331988.db2.gz IUAMCFKBIUDPDK-UHFFFAOYSA-N 1 0 395.547 5.378 1 0 GKAFRO O=C1Nc2cccc3c2[C@]1(CCCC[N@H+]1CC=C(c2ccccc2)CC1)CCC3 ZINC000001902852 209342571 /nfs/dbraw/zinc/34/25/71/209342571.db2.gz JBQOYPLKTTXLSQ-SANMLTNESA-N 1 0 386.539 5.172 1 0 in-vitro GKAFRO c1ccc(C[NH+]2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013746586 209234089 /nfs/dbraw/zinc/23/40/89/209234089.db2.gz WRSJONWBAYSODC-UHFFFAOYSA-N 1 0 385.551 6.095 1 0 GKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3ccc(C)cc3n2)cc1 ZINC000001533186 212248796 /nfs/dbraw/zinc/24/87/96/212248796.db2.gz AXVWVRPLCGZGMQ-UHFFFAOYSA-N 1 0 393.575 5.981 1 0 GKAFRO c1ccc(C[C@H](c2ccccc2)N2CC[NH+](C3CCCCCCC3)CC2)cc1 ZINC000169317943 212113183 /nfs/dbraw/zinc/11/31/83/212113183.db2.gz XIJIYKRUBLEJNI-AREMUKBSSA-N 1 0 376.588 5.701 1 0 GKAFRO c1ccc(C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCCCC3)CC2)cc1 ZINC000169317941 212113120 /nfs/dbraw/zinc/11/31/20/212113120.db2.gz XIJIYKRUBLEJNI-SANMLTNESA-N 1 0 376.588 5.701 1 0 GKAFRO CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004857205 204083625 /nfs/dbraw/zinc/08/36/25/204083625.db2.gz IHZFFUAIKZYKBM-NOTZXAQLSA-N 1 0 393.600 5.121 3 0 GKAFRO CC(C)(C)[C@H]1CCCC2=C1[NH2+]N(c1nc3ccccc3s1)[C@]2(O)C(F)(F)F ZINC000036056942 204301949 /nfs/dbraw/zinc/30/19/49/204301949.db2.gz CEBFJVCUBNTZND-OAVHHTNSSA-N 1 0 397.466 5.186 2 0 GKAFRO CCCCC/C=C(\c1ccc(O)cc1)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000013605644 204499113 /nfs/dbraw/zinc/49/91/13/204499113.db2.gz SYZLPCRSJNBOTK-KIBLKLHPSA-N 1 0 381.560 6.125 1 0 GKAFRO CN1C(=O)[C@@H](C[NH+]2CCCCC2)C[C@H]1c1ccc(-c2ccccc2Cl)s1 ZINC000035932037 205000149 /nfs/dbraw/zinc/00/01/49/205000149.db2.gz DRFXZEZXYSHHAQ-QAPCUYQASA-N 1 0 388.964 5.074 1 0 GKAFRO CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(SC)cc3)ccc2[nH+]1 ZINC000036351811 205012604 /nfs/dbraw/zinc/01/26/04/205012604.db2.gz JNONJSIKAPDJDJ-KPKJPENVSA-N 1 0 377.513 5.143 1 0 GKAFRO CCOc1ccc(C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000039233856 205040316 /nfs/dbraw/zinc/04/03/16/205040316.db2.gz NBTRECRPSBFNAA-SANMLTNESA-N 1 0 392.587 5.319 1 0 GKAFRO Clc1cccc(C[C@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000039233864 205041209 /nfs/dbraw/zinc/04/12/09/205041209.db2.gz ZDPSAPIPOJPXOT-XMMPIXPASA-N 1 0 382.979 5.574 1 0 GKAFRO C[NH+](C)Cc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000038149564 205036188 /nfs/dbraw/zinc/03/61/88/205036188.db2.gz LGNYZPUXFBYIAH-UHFFFAOYSA-N 1 0 387.527 5.360 1 0 GKAFRO C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)cc[nH+]c2cc1CC ZINC000040422913 205064788 /nfs/dbraw/zinc/06/47/88/205064788.db2.gz CANSHISPWMMZOH-HWKANZROSA-N 1 0 383.854 5.848 1 0 GKAFRO C[N@@H+]1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1 ZINC000043121812 205082653 /nfs/dbraw/zinc/08/26/53/205082653.db2.gz MIPXTJDEJCSPKE-OAQYLSRUSA-N 1 0 388.446 5.323 1 0 GKAFRO Fc1ccc2[nH]c(-c3cccc(-c4ccc(C[NH+]5CCCCC5)cc4)c3)nc2c1 ZINC000045194940 205092343 /nfs/dbraw/zinc/09/23/43/205092343.db2.gz FVYXEEYWMUEUDC-UHFFFAOYSA-N 1 0 385.486 6.022 1 0 GKAFRO O=C(Nc1cccc(-c2cccc(C[NH+]3CCCC3)c2)c1)c1ccc(Cl)cc1 ZINC000045229240 205093569 /nfs/dbraw/zinc/09/35/69/205093569.db2.gz TYPWGUMCJNNLNF-UHFFFAOYSA-N 1 0 390.914 5.855 1 0 GKAFRO Brc1ccc2[nH]c3c[n+](Cc4ccc5ccccc5c4)ccc3c2c1 ZINC000045357281 205096623 /nfs/dbraw/zinc/09/66/23/205096623.db2.gz KEKXHEOPHWOQJD-UHFFFAOYSA-O 1 0 388.288 5.573 1 0 GKAFRO Clc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1 ZINC000040954850 205075093 /nfs/dbraw/zinc/07/50/93/205075093.db2.gz RFYRPEFHYAKDDB-OAQYLSRUSA-N 1 0 379.891 5.052 1 0 GKAFRO CC(C)([NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)c1ccccc1 ZINC000040973799 205077415 /nfs/dbraw/zinc/07/74/15/205077415.db2.gz KMRFGWZXNWGTRR-LJQANCHMSA-N 1 0 383.333 5.833 1 0 GKAFRO CSc1ccc(C[N@@H+]2CC[C@@](C)(Oc3cnc(Cl)c4ccccc34)C2)cc1 ZINC000061907972 205184073 /nfs/dbraw/zinc/18/40/73/205184073.db2.gz TXUHDBFNUOEKLU-JOCHJYFZSA-N 1 0 398.959 5.654 3 0 GKAFRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000064245728 205189474 /nfs/dbraw/zinc/18/94/74/205189474.db2.gz OZULDLRLQNGRLF-WOJBJXKFSA-N 1 0 392.326 5.305 1 0 GKAFRO CC(C)[NH+](CCOc1ccc(COc2ccc([C@H](O)C3CC3)cc2)cc1)C(C)C ZINC000066258853 205240831 /nfs/dbraw/zinc/24/08/31/205240831.db2.gz NHTHTFWOVUTWLQ-RUZDIDTESA-N 1 0 397.559 5.207 1 0 GKAFRO Cc1cc2nc([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(Cl)cc3)[N@H+]4C)[nH]c2cc1C ZINC000072106444 205303553 /nfs/dbraw/zinc/30/35/53/205303553.db2.gz ZONWPEAFLDQJPL-KKXYHZGYSA-N 1 0 379.935 5.567 1 0 GKAFRO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(F)c1 ZINC000072118443 205304151 /nfs/dbraw/zinc/30/41/51/205304151.db2.gz XIQRGCICEOZHEU-ZMZPIMSZSA-N 1 0 380.294 5.576 1 0 GKAFRO CC[C@H](C)[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(F)c1 ZINC000072118444 205305436 /nfs/dbraw/zinc/30/54/36/205305436.db2.gz XIQRGCICEOZHEU-VOJFVSQTSA-N 1 0 380.294 5.576 1 0 GKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1cccc(F)c1 ZINC000073198381 205356296 /nfs/dbraw/zinc/35/62/96/205356296.db2.gz XCWIGYLTGDZLOY-OAHLLOKOSA-N 1 0 383.467 5.023 1 0 GKAFRO [NH3+]CCSC(c1ccccc1)(c1ccccc1)c1cccc(Br)c1 ZINC000084616413 205395843 /nfs/dbraw/zinc/39/58/43/205395843.db2.gz NGCDRWFHXXLNGR-UHFFFAOYSA-N 1 0 398.369 5.433 1 0 GKAFRO C[NH+]1CCC(Oc2ccc3cc(-c4cc5ccccc5s4)c(=O)oc3c2)CC1 ZINC000084724720 205399059 /nfs/dbraw/zinc/39/90/59/205399059.db2.gz LWNCYKLFXNAHBB-UHFFFAOYSA-N 1 0 391.492 5.148 1 0 GKAFRO CC[C@@H](C)Sc1nc2c(cc(-c3ccccc3)n2-c2ccccc2)c(=[NH2+])s1 ZINC000169313046 205826516 /nfs/dbraw/zinc/82/65/16/205826516.db2.gz KZGLVMURNDIVDD-OAHLLOKOSA-N 1 0 391.565 6.124 1 0 GKAFRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@H+]2C[C@@H](C)CC[C@@H]12 ZINC000028540155 206262749 /nfs/dbraw/zinc/26/27/49/206262749.db2.gz JVKYZPBMZPJNAJ-HOFADDDFSA-N 1 0 397.647 5.655 1 0 GKAFRO CCC[NH+](CCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc21 ZINC000169336911 211636617 /nfs/dbraw/zinc/63/66/17/211636617.db2.gz BODKDGFOBSJVFV-IBGZPJMESA-N 1 0 395.490 6.229 1 0 GKAFRO CC[NH2+]C(C)(C)C[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000169334855 211635636 /nfs/dbraw/zinc/63/56/36/211635636.db2.gz OUIVLQYTHVMERX-ZDUSSCGKSA-N 1 0 394.359 5.084 1 0 GKAFRO Cc1c(-c2ccc(Cl)cc2)noc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000002572468 206422124 /nfs/dbraw/zinc/42/21/24/206422124.db2.gz CCWCGSVNRVVPNM-UHFFFAOYSA-N 1 0 380.919 5.726 1 0 GKAFRO Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2ccccc2)CC1 ZINC000095605445 211282133 /nfs/dbraw/zinc/28/21/33/211282133.db2.gz XHRHNSSIUAMBDN-AREMUKBSSA-N 1 0 398.550 5.863 3 0 GKAFRO C[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccncc4)cc23)CC1 ZINC000095584864 211280088 /nfs/dbraw/zinc/28/00/88/211280088.db2.gz OPAXWXXUTHBWEX-UHFFFAOYSA-N 1 0 385.486 5.641 1 0 GKAFRO Brc1ccc(-c2nc(C[NH2+]C3C4CC5CC(C4)CC3C5)co2)cc1 ZINC000072185986 211083090 /nfs/dbraw/zinc/08/30/90/211083090.db2.gz SCLDFQWUNZVMFI-UHFFFAOYSA-N 1 0 387.321 5.018 1 0 GKAFRO CC1CC[NH+](Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)CC1 ZINC000066252664 211002320 /nfs/dbraw/zinc/00/23/20/211002320.db2.gz SAXGZVXICPFBPO-UHFFFAOYSA-N 1 0 399.460 5.994 1 0 GKAFRO Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@@H]3[NH3+])c2c1 ZINC000040874949 210795896 /nfs/dbraw/zinc/79/58/96/210795896.db2.gz ZUNZDGFZAQCHPE-FEEOGTTHSA-N 1 0 392.934 5.444 1 0 GKAFRO [NH3+][C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(F)c1)c1cccc(F)c1 ZINC000022941576 207266777 /nfs/dbraw/zinc/26/67/77/207266777.db2.gz NDHIHCJLIOJISG-FCHUYYIVSA-N 1 0 398.884 5.482 1 0 GKAFRO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 ZINC000022941543 207267033 /nfs/dbraw/zinc/26/70/33/207267033.db2.gz GAEAFMJGLPCGOT-VXKWHMMOSA-N 1 0 396.456 5.569 1 0 GKAFRO Nc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 ZINC000026665012 207318388 /nfs/dbraw/zinc/31/83/88/207318388.db2.gz CKSSJMQIIJQZNV-HXUWFJFHSA-N 1 0 383.282 5.405 1 0 GKAFRO Clc1ccc(OCC[N@H+]2[C@@H]3CC[C@H]2Cc2[nH]c4ccccc4c23)cc1Cl ZINC000027102513 207322042 /nfs/dbraw/zinc/32/20/42/207322042.db2.gz NLHVOHXLTQXDSJ-RNODOKPDSA-N 1 0 387.310 5.615 1 0 GKAFRO COc1ccc(C(=O)c2c(C)n(CC[C@@H]3CCCC[N@@H+]3C)c3ccccc32)cc1 ZINC000026274211 207312363 /nfs/dbraw/zinc/31/23/63/207312363.db2.gz XQYFYLXGHBKPSY-FQEVSTJZSA-N 1 0 390.527 5.064 1 0 GKAFRO OC1(c2ccccc2)CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028708203 207346506 /nfs/dbraw/zinc/34/65/06/207346506.db2.gz SOLFPCMRRJJYRY-QHCPKHFHSA-N 1 0 377.915 5.413 1 0 GKAFRO C[NH+](C)[C@@H]1CCC[C@H]1N(C(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000028235035 207338539 /nfs/dbraw/zinc/33/85/39/207338539.db2.gz FYCAIZDAJDBIFC-RTBURBONSA-N 1 0 383.363 5.389 1 0 GKAFRO O=C(Nc1ccccc1)Nc1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3ccccc32)cc1 ZINC000029226587 207357227 /nfs/dbraw/zinc/35/72/27/207357227.db2.gz IEUDFLVLULWXJM-BJKOFHAPSA-N 1 0 383.495 5.613 1 0 GKAFRO CC1(C)C[NH2+]CC[C@@H]1CNC(=O)c1cc(Cl)ccc1-c1cccc(Cl)c1 ZINC000049034888 207704533 /nfs/dbraw/zinc/70/45/33/207704533.db2.gz WSELCZKNVXQNQU-OAHLLOKOSA-N 1 0 391.342 5.026 1 0 GKAFRO C[C@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000073164970 208032530 /nfs/dbraw/zinc/03/25/30/208032530.db2.gz AJMLLQGJLSFTSX-WRWLIDTKSA-N 1 0 398.472 5.985 1 0 GKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccccc1Cl ZINC000082153596 208083166 /nfs/dbraw/zinc/08/31/66/208083166.db2.gz HWYNDBVJBUGWCS-HNNXBMFYSA-N 1 0 399.922 5.537 1 0 GKAFRO [NH3+][C@@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084688879 208094943 /nfs/dbraw/zinc/09/49/43/208094943.db2.gz NZYJSDIODHEZGA-HXUWFJFHSA-N 1 0 382.532 6.067 1 0 GKAFRO COc1ccc2occ(C[N@H+]3[C@@H]4CC[C@H]3C[C@](O)(c3ccc(Cl)cc3)C4)c2c1 ZINC000101185423 208388122 /nfs/dbraw/zinc/38/81/22/208388122.db2.gz WKTBGKZXPNQGKA-MOJGAOKDSA-N 1 0 397.902 5.109 1 0 GKAFRO O[C@@]1(c2ccc3ccccc3c2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2ccccc12 ZINC000101185077 208388314 /nfs/dbraw/zinc/38/83/14/208388314.db2.gz YJKBKDOYRHHENB-QXSURTEESA-N 1 0 382.507 5.336 1 0 GKAFRO COc1ccc(CC[NH+]2C=CC(c3ccccc3)(c3ccccc3)C=C2)cc1OC ZINC000100028400 208370454 /nfs/dbraw/zinc/37/04/54/208370454.db2.gz LVLBEXIBJWQMOA-UHFFFAOYSA-N 1 0 397.518 5.576 1 0 GKAFRO C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[NH2+]CC1 ZINC000013455597 221269442 /nfs/dbraw/zinc/26/94/42/221269442.db2.gz YNFWSTXBMUTEJF-MRXNPFEDSA-N 1 0 395.518 5.576 1 0 GKAFRO Fc1ccc(C[NH2+][C@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1 ZINC000013489687 221270438 /nfs/dbraw/zinc/27/04/38/221270438.db2.gz PZUVPFOEYUKFCA-BJKOFHAPSA-N 1 0 375.487 5.295 1 0 GKAFRO Clc1ccc(OCc2nc3ccccc3n2CCC[NH+]2CCCCC2)cc1 ZINC000013780279 221287899 /nfs/dbraw/zinc/28/78/99/221287899.db2.gz YUSPMXQHCNUCBA-UHFFFAOYSA-N 1 0 383.923 5.145 1 0 GKAFRO Clc1ccc(C[NH+]2CCC(c3cc(-c4ccc(Cl)cc4)on3)CC2)cc1 ZINC000013755889 221287151 /nfs/dbraw/zinc/28/71/51/221287151.db2.gz IGAYGUGEWYBNRY-UHFFFAOYSA-N 1 0 387.310 6.028 1 0 GKAFRO C[C@H](CCN1C(Nc2ccccc2)=[NH+]C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000015924740 221352284 /nfs/dbraw/zinc/35/22/84/221352284.db2.gz FCZGBLOBPUZQRI-BWKNWUBXSA-N 1 0 383.539 5.575 3 0 GKAFRO CSc1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1 ZINC000015936845 221352734 /nfs/dbraw/zinc/35/27/34/221352734.db2.gz GFSAUOHMHPRKDM-UHFFFAOYSA-N 1 0 394.520 5.691 3 0 GKAFRO Fc1ccc2c(c1)Sc1cnc3ccccc3c1N2CC[NH+]1CCCCC1 ZINC000098082845 136188827 /nfs/dbraw/zinc/18/88/27/136188827.db2.gz MSZCESMNLIFVNY-UHFFFAOYSA-N 1 0 379.504 5.463 1 0 GKAFRO Cc1ccc(-n2cc(C[NH+]3CCN(c4ccccc4)CC3)c3ccccc32)cc1 ZINC000103266313 136191065 /nfs/dbraw/zinc/19/10/65/136191065.db2.gz ANTKZYDHRRUZLZ-UHFFFAOYSA-N 1 0 381.523 5.261 1 0 GKAFRO Cc1cccc(-n2cc(C[NH+]3CCN(c4ccccc4)CC3)c3ccccc32)c1C ZINC000103265572 136191072 /nfs/dbraw/zinc/19/10/72/136191072.db2.gz REZUDELZCFIBPD-UHFFFAOYSA-N 1 0 395.550 5.570 1 0 GKAFRO Cc1cccc(-n2cc(C[NH+]3CCN(c4ccccc4)CC3)c3ccccc32)c1 ZINC000103266310 136191108 /nfs/dbraw/zinc/19/11/08/136191108.db2.gz CCIZOOPHGSKKTJ-UHFFFAOYSA-N 1 0 381.523 5.261 1 0 GKAFRO c1[nH]c2cccc3c2c1C[C@@H]1C[N@H+](Cc2ccc(-c4ccccc4)cc2)CCN31 ZINC000118366632 136192269 /nfs/dbraw/zinc/19/22/69/136192269.db2.gz LBALZQQRFZMPJO-HSZRJFAPSA-N 1 0 379.507 5.082 1 0 GKAFRO c1[nH]c2cccc3c2c1C[C@H]1C[N@H+](Cc2ccccc2-c2ccccc2)CCN31 ZINC000169351336 136197344 /nfs/dbraw/zinc/19/73/44/136197344.db2.gz VJYRFSZIRUISDG-QFIPXVFZSA-N 1 0 379.507 5.082 1 0 GKAFRO c1ccc([C@H]2Cc3ccccc3O[C@@H]2c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000026942937 221649191 /nfs/dbraw/zinc/64/91/91/221649191.db2.gz AMSFCOQDMBAQPY-XNMGPUDCSA-N 1 0 399.534 5.621 1 0 GKAFRO Fc1ccc2c(c1)onc2CCC[NH+]1CCC(c2noc3ccc(F)cc32)CC1 ZINC000027862030 221662101 /nfs/dbraw/zinc/66/21/01/221662101.db2.gz ABDBYYMJZZOJRY-UHFFFAOYSA-N 1 0 397.425 5.059 1 0 GKAFRO Clc1ccc(-c2[nH]c3ccc(Cl)cc3c2SC2CC[NH2+]CC2)cc1 ZINC000027892586 221662550 /nfs/dbraw/zinc/66/25/50/221662550.db2.gz XMOQCZDHYOECKG-UHFFFAOYSA-N 1 0 377.340 5.986 1 0 GKAFRO Cc1nc2cn(Cc3ccccc3)cc2c(-c2ccc(Cl)cc2Cl)c1C[NH3+] ZINC000034804225 221806830 /nfs/dbraw/zinc/80/68/30/221806830.db2.gz DFYJCRFQTFRQQL-UHFFFAOYSA-N 1 0 396.321 5.826 1 0 GKAFRO COc1cccc(C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000039233834 221888197 /nfs/dbraw/zinc/88/81/97/221888197.db2.gz QAFMAOPWMGHSLE-SANMLTNESA-N 1 0 392.587 5.319 1 0 GKAFRO C[C@@H](c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000040848158 221931296 /nfs/dbraw/zinc/93/12/96/221931296.db2.gz PJAOIPUALPETNP-IINYFYTJSA-N 1 0 376.344 5.518 1 0 GKAFRO Cc1cccc(-c2ccc3c(c2)[C@H]2C[C@@H]3CC[N@H+]2Cc2ccc3c(c2)OCO3)c1 ZINC000061943043 222063950 /nfs/dbraw/zinc/06/39/50/222063950.db2.gz ZNSPQQGMNDMVKM-XUZZJYLKSA-N 1 0 383.491 5.825 1 0 GKAFRO C[C@@H]1CCC[N@@H+]1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1 ZINC000063539551 222067757 /nfs/dbraw/zinc/06/77/57/222067757.db2.gz MHHTXOIOMYDUOQ-OAHLLOKOSA-N 1 0 388.433 5.760 1 0 GKAFRO CC(C)[C@@H](C)COC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]2[N@H+](C)C1 ZINC000064528168 222072758 /nfs/dbraw/zinc/07/27/58/222072758.db2.gz GYZNHBCNOUUWNQ-ICGULJKJSA-N 1 0 396.575 5.018 1 0 GKAFRO CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@@H+]1CCCF ZINC000071329487 222181837 /nfs/dbraw/zinc/18/18/37/222181837.db2.gz LOHZCUIHMWMCRJ-DKZVUGQWSA-N 1 0 387.568 5.146 1 0 GKAFRO CC(C)C[NH2+][C@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl ZINC000072101956 222205412 /nfs/dbraw/zinc/20/54/12/222205412.db2.gz USACVKNTIJCITM-JOCHJYFZSA-N 1 0 385.338 5.926 1 0 GKAFRO c1oc(-c2ccc(-c3ccccc3)cc2)nc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000072100871 222205512 /nfs/dbraw/zinc/20/55/12/222205512.db2.gz LVTOENBSFBZRBC-UHFFFAOYSA-N 1 0 384.523 5.923 1 0 GKAFRO Cc1cc(C)c2c(C[NH+](Cc3ccccc3)Cc3ccccc3)cc(=O)oc2c1 ZINC000072135731 222210168 /nfs/dbraw/zinc/21/01/68/222210168.db2.gz DJSUEIKVKWAPLX-UHFFFAOYSA-N 1 0 383.491 5.612 3 0 GKAFRO CC(C)CC[NH2+][C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072134971 222210227 /nfs/dbraw/zinc/21/02/27/222210227.db2.gz CCPDDUWURQCKST-DRYQTVNKSA-N 1 0 389.668 6.030 1 0 GKAFRO Clc1ccc(C[C@H]2Cc3ccccc3[C@H]2[NH2+]Cc2ccccc2)c(Cl)c1 ZINC000082159671 222313370 /nfs/dbraw/zinc/31/33/70/222313370.db2.gz BQZJSRHWHVIONO-XXBNENTESA-N 1 0 382.334 6.239 1 0 GKAFRO CC(C)(C)c1ccc([C@H](O[C@H](C[NH3+])c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000084687632 222319482 /nfs/dbraw/zinc/31/94/82/222319482.db2.gz IIWXLVYYYOEOML-RPWUZVMVSA-N 1 0 393.958 6.444 1 0 GKAFRO Brc1cccc2c1N[C@H]1[C@@H]2CC[NH2+][C@@H]1Cc1cccc2ccccc21 ZINC000169333527 222533986 /nfs/dbraw/zinc/53/39/86/222533986.db2.gz HRBOWYCAJNJYQJ-UZKOGDIHSA-N 1 0 393.328 5.085 1 0 GKAFRO C[N@@H+]1CCCC[C@H]1CCN1c2ccccc2Sc2cc3ccccc3nc21 ZINC000096905661 536357185 /nfs/dbraw/zinc/35/71/85/536357185.db2.gz CKTUADCTOAJCNC-SFHVURJKSA-N 1 0 375.541 5.712 1 0 GKAFRO COc1cc(C)c(-c2ccc3c(c2OC)[C@@H](C)[NH2+][C@H](C)C3)c2cccc(O)c12 ZINC000015121564 560228747 /nfs/dbraw/zinc/22/87/47/560228747.db2.gz RUIMCCISFFPHCE-HUUCEWRRSA-N 1 0 377.484 5.133 1 0 biogenic,in-vitro GKAFRO CC(C)[C@H]([NH3+])CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000299865834 574988108 /nfs/dbraw/zinc/98/81/08/574988108.db2.gz OCYQLUVTMWIEFI-JIMJEQGWSA-N 1 0 398.550 5.474 1 0 GKAFRO C[NH+](C)CCOc1ccc(C2=C(c3cccs3)CCOc3ccccc32)cc1 ZINC000040405918 581100037 /nfs/dbraw/zinc/10/00/37/581100037.db2.gz HQYSNGHACUNEIS-UHFFFAOYSA-N 1 0 391.536 5.430 1 0 GKAFRO COc1ccc(-c2sc(Nc3cccc4ccccc43)n[n+]2C)c(C)c1C ZINC000015936918 210180070 /nfs/dbraw/zinc/18/00/70/210180070.db2.gz BRKSQNKLVYFCHA-UHFFFAOYSA-N 1 0 376.505 5.157 3 0 GKAFRO c1[nH]c([C@H]2Cc3c4ccccc4[nH]c3[C@@H](C3CCCCC3)[NH2+]2)nc1-c1ccccc1 ZINC000013863916 210095172 /nfs/dbraw/zinc/09/51/72/210095172.db2.gz CMKNFFUUKQPJOF-ISKFKSNPSA-N 1 0 396.538 6.066 1 0 GKAFRO O[C@H](C[N@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2)c1c(Cl)cccc1Cl ZINC000013766717 210090006 /nfs/dbraw/zinc/09/00/06/210090006.db2.gz YZSQCQQXQNXTIO-KVMCETHSSA-N 1 0 376.327 5.437 1 0 GKAFRO COc1ccc(-c2nc(C3=CC[N@H+](C)CC3)sc2-c2ccc(OC)cc2)cc1 ZINC000013735883 210086775 /nfs/dbraw/zinc/08/67/75/210086775.db2.gz YMQSMYMNAQEELV-UHFFFAOYSA-N 1 0 392.524 5.213 1 0 GKAFRO CCCc1[nH+]c(Nc2ccc(Cl)cc2Cl)n2ccnc(N(CC)CC)c12 ZINC000013437370 210061053 /nfs/dbraw/zinc/06/10/53/210061053.db2.gz UIVDXALOJZCZHG-UHFFFAOYSA-N 1 0 392.334 5.578 1 0 GKAFRO C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000013475902 210063549 /nfs/dbraw/zinc/06/35/49/210063549.db2.gz JRZWFAZOZKLOCQ-OREJSRFESA-N 1 0 375.434 5.135 1 0 GKAFRO c1ccc(C[NH2+][C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 ZINC000035975479 209246567 /nfs/dbraw/zinc/24/65/67/209246567.db2.gz SVHVLAGNGAWUQU-SVBPBHIXSA-N 1 0 382.551 5.071 1 0 GKAFRO CN(C)c1ccc(-c2cc(-c3ccc(N)cc3)[s+]c(-c3ccc(N)cc3)c2)cc1 ZINC000100931386 212158789 /nfs/dbraw/zinc/15/87/89/212158789.db2.gz PBKZKXFZFGWMOD-UHFFFAOYSA-N 1 0 398.555 6.261 1 0 GKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3ccsc3n2)cc1 ZINC000003803982 204019978 /nfs/dbraw/zinc/01/99/78/204019978.db2.gz GGGVHDALVVYRSM-UHFFFAOYSA-N 1 0 385.577 5.734 1 0 GKAFRO C[NH+](C)CC[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000013684835 204504726 /nfs/dbraw/zinc/50/47/26/204504726.db2.gz DCVUYDAQCNKKHX-KRWDZBQOSA-N 1 0 399.844 5.173 1 0 GKAFRO C[NH+](C)CCSc1nc2ccc(Br)cc2cc1-c1ccccc1 ZINC000026296940 204840099 /nfs/dbraw/zinc/84/00/99/204840099.db2.gz SNWURFRULAXKKH-UHFFFAOYSA-N 1 0 387.346 5.318 1 0 GKAFRO COc1ccc(Nc2ccc3c(c2)[C@@]2(C)CC[N@H+](CC4CC4)[C@@H](C3)[C@@H]2C)cc1 ZINC000027987884 204864553 /nfs/dbraw/zinc/86/45/53/204864553.db2.gz DJFFPOVRKTXBHV-HDBFHEOPSA-N 1 0 376.544 5.373 1 0 GKAFRO CCCCc1ccc(C2(O)CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028817098 204880993 /nfs/dbraw/zinc/88/09/93/204880993.db2.gz RVNGGHXLYIZGKP-UHFFFAOYSA-N 1 0 399.578 6.102 1 0 in-vivo GKAFRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Oc1ccccc1)c1cccc2ccccc21 ZINC000036476017 205017934 /nfs/dbraw/zinc/01/79/34/205017934.db2.gz IWNNJCVUKCVNPB-DQMJNTIXSA-N 1 0 388.511 5.590 1 0 GKAFRO Fc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)[NH2+]C2)cc1F ZINC000038322609 205036498 /nfs/dbraw/zinc/03/64/98/205036498.db2.gz GHIZPTDJZASTHJ-ZJSXRUAMSA-N 1 0 392.493 5.007 1 0 GKAFRO Fc1ccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCCCC5)c4)cc3)nc2c1 ZINC000045190376 205092875 /nfs/dbraw/zinc/09/28/75/205092875.db2.gz RUXNPVJAGJATII-UHFFFAOYSA-N 1 0 385.486 6.022 1 0 GKAFRO O=C(Nc1cccc(-c2cccc(C[NH+]3CCCC3)c2)c1)c1cccc(Cl)c1 ZINC000045193516 205092950 /nfs/dbraw/zinc/09/29/50/205092950.db2.gz WJQXNHLIOVTYHK-UHFFFAOYSA-N 1 0 390.914 5.855 1 0 GKAFRO C[NH+](C)CCCOc1cccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000045189687 205093277 /nfs/dbraw/zinc/09/32/77/205093277.db2.gz PKADIRFOBGWDCZ-UHFFFAOYSA-N 1 0 389.499 5.328 1 0 GKAFRO C[NH+]1CCC(Cc2ccc3c(c2)[nH]c(-c2ccc(F)cc2)c3-c2ccncc2)CC1 ZINC000040952130 205075930 /nfs/dbraw/zinc/07/59/30/205075930.db2.gz GANUZQYHJCJDNI-UHFFFAOYSA-N 1 0 399.513 5.920 1 0 GKAFRO CC(C)CC[NH2+][C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072134974 205308801 /nfs/dbraw/zinc/30/88/01/205308801.db2.gz PCLDERUMTJBTMY-XSLNCIIRSA-N 1 0 387.652 5.951 1 0 GKAFRO C[C@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)CC(C)(C)C1 ZINC000072184147 205316890 /nfs/dbraw/zinc/31/68/90/205316890.db2.gz VIPDAASUYAPMCD-XJKSGUPXSA-N 1 0 377.326 5.409 1 0 GKAFRO c1ccc(C(c2ccccc2)(c2ccc3ccccc3c2)[NH+]2CCOCC2)cc1 ZINC000084690332 205398975 /nfs/dbraw/zinc/39/89/75/205398975.db2.gz GFBNKKQXDNIMLQ-UHFFFAOYSA-N 1 0 379.503 5.464 1 0 GKAFRO COc1ccc([C@@](CC(F)(F)C[NH3+])(c2ccccc2)c2ccc(C)cc2)cc1 ZINC000095584711 205500895 /nfs/dbraw/zinc/50/08/95/205500895.db2.gz JWWYDJQOFFYDIA-DEOSSOPVSA-N 1 0 381.466 5.322 1 0 GKAFRO Clc1ccc2c(c1)n(CCC[NH+]1CCCCC1)cc/c2=N\c1ccccc1 ZINC000096931942 205578811 /nfs/dbraw/zinc/57/88/11/205578811.db2.gz PNCSBOUSNDJAEF-YYDJUVGSSA-N 1 0 379.935 5.403 1 0 GKAFRO O[C@H](C[NH+]1CCCCCC1)c1ccc2c(Cl)cc(-c3ccccc3)nc2c1 ZINC000169338622 205830136 /nfs/dbraw/zinc/83/01/36/205830136.db2.gz TWCIKMQSJAJDFQ-HSZRJFAPSA-N 1 0 380.919 5.465 1 0 GKAFRO C[C@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000001912172 206394732 /nfs/dbraw/zinc/39/47/32/206394732.db2.gz AJMLLQGJLSFTSX-SYNHAJSKSA-N 1 0 398.472 5.985 1 0 GKAFRO [NH2+]=C1N[C@@H](c2ccc(C(F)(F)F)cc2)C[C@H]2CC[C@H](CCc3ccccc3)N12 ZINC000103262087 211427304 /nfs/dbraw/zinc/42/73/04/211427304.db2.gz GJLYLWJOFISYJK-XUVXKRRUSA-N 1 0 387.449 5.140 1 0 GKAFRO Cc1[nH]c2cc(C)ccc2c1[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccccc1Cl ZINC000103244890 211423869 /nfs/dbraw/zinc/42/38/69/211423869.db2.gz HKAUCVLSMSXIQN-VWLOTQADSA-N 1 0 388.942 6.626 1 0 GKAFRO Clc1ccc(N(C[C@H]2C[NH2+]C[C@H]2Cc2ccccc2)c2ccccc2)cc1 ZINC000095581978 211280312 /nfs/dbraw/zinc/28/03/12/211280312.db2.gz FCWGSUKXROLTNW-NHCUHLMSSA-N 1 0 376.931 5.556 1 0 GKAFRO COc1ccc([C@](CC(F)(F)C[NH3+])(c2ccccc2)c2ccc(C)cc2)cc1 ZINC000095584710 211279994 /nfs/dbraw/zinc/27/99/94/211279994.db2.gz JWWYDJQOFFYDIA-XMMPIXPASA-N 1 0 381.466 5.322 1 0 GKAFRO CC(C)(C)c1ccc([C@H](O[C@@H](C[NH3+])c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000084687630 211174400 /nfs/dbraw/zinc/17/44/00/211174400.db2.gz IIWXLVYYYOEOML-ZEQRLZLVSA-N 1 0 393.958 6.444 1 0 GKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nc(C)ccc2c1Oc1ccc(Cl)cc1 ZINC000084732664 211173772 /nfs/dbraw/zinc/17/37/72/211173772.db2.gz VSBOVSMTSGSQJU-AWEZNQCLSA-N 1 0 399.922 5.537 1 0 GKAFRO COc1cccc(Cn2c3cc(Cl)c(Cl)cc3nc2[C@@H]([NH3+])CC(C)C)c1 ZINC000072118347 211069116 /nfs/dbraw/zinc/06/91/16/211069116.db2.gz VHOUXOHJUBFJBN-KRWDZBQOSA-N 1 0 392.330 5.446 1 0 GKAFRO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(C)c1 ZINC000072118001 211068952 /nfs/dbraw/zinc/06/89/52/211068952.db2.gz NIORFVMISSGFFO-KUHUBIRLSA-N 1 0 375.438 5.458 1 0 GKAFRO O=C(c1cccs1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013817814 207000409 /nfs/dbraw/zinc/00/04/09/207000409.db2.gz USJBKAJGBOUZJY-UHFFFAOYSA-N 1 0 376.525 5.060 1 0 GKAFRO CCN(CC)C(=O)c1ccc(C(c2ccc(Cl)cc2)=C2CC[NH2+]CC2)cc1 ZINC000013814319 207000615 /nfs/dbraw/zinc/00/06/15/207000615.db2.gz HTVVGBNPROJDLV-UHFFFAOYSA-N 1 0 382.935 5.007 1 0 GKAFRO CC(C)(C)c1ccc(C[NH+]2CCC([C@H]3CCc4ccccc4C3=O)CC2)cc1 ZINC000013734291 206996489 /nfs/dbraw/zinc/99/64/89/206996489.db2.gz ZEQHXVDOFWGIOA-XMMPIXPASA-N 1 0 375.556 5.641 1 0 GKAFRO Cc1ccc(C(C(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)c2ccc(C)cc2)cc1 ZINC000013733993 206996872 /nfs/dbraw/zinc/99/68/72/206996872.db2.gz DZJSRGDCPYFRRD-FGZHOGPDSA-N 1 0 392.587 5.205 1 0 GKAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc2nc(-c3cnc(-c4ccccc4)s3)ccc2c1 ZINC000035968200 210702103 /nfs/dbraw/zinc/70/21/03/210702103.db2.gz CRBTZFVQVOXBBO-GOSISDBHSA-N 1 0 399.563 6.052 1 0 GKAFRO C[N@@H+]1CCCC[C@@H]1Cn1cc(C(=O)Nc2cccc3ccccc32)c2ccccc21 ZINC000017216055 207087432 /nfs/dbraw/zinc/08/74/32/207087432.db2.gz OLJFLNSWHPRAPF-HXUWFJFHSA-N 1 0 397.522 5.531 1 0 GKAFRO C[N@@H+]1CCN([C@@H]2C[C@@H](c3ccc(Cl)cc3)c3ccc(Cl)cc32)CC1(C)C ZINC000022938087 207265695 /nfs/dbraw/zinc/26/56/95/207265695.db2.gz RKDGTQHEOBQEAS-PZJWPPBQSA-N 1 0 389.370 5.596 1 0 GKAFRO Fc1ccc([C@H]2C[C@H](N3CC[N@@H+]4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937948 207266240 /nfs/dbraw/zinc/26/62/40/207266240.db2.gz GKDSUAQEAHBUGZ-LSWJPFSZSA-N 1 0 384.926 5.226 1 0 GKAFRO Oc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 ZINC000026658865 207317913 /nfs/dbraw/zinc/31/79/13/207317913.db2.gz XLPKSIDATCAANT-FQEVSTJZSA-N 1 0 384.266 5.528 1 0 GKAFRO c1ccc([C@H]2Cc3ccccc3O[C@H]2c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000026942929 207321536 /nfs/dbraw/zinc/32/15/36/207321536.db2.gz AMSFCOQDMBAQPY-VPUSJEBWSA-N 1 0 399.534 5.621 1 0 GKAFRO CC1CCC(CN2C3=[NH+]C[C@@H](C4CCCCC4)N3C[C@@H]2C2CCCCC2)CC1 ZINC000027209844 207323282 /nfs/dbraw/zinc/32/32/82/207323282.db2.gz LQWPVDAXOTWZNJ-YVJUOPSFSA-N 1 0 385.640 5.698 1 0 GKAFRO CCCCC1(CCCC)Oc2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2O1 ZINC000026491456 207315062 /nfs/dbraw/zinc/31/50/62/207315062.db2.gz YCZAAGOVUKXJFY-UHFFFAOYSA-N 1 0 382.504 5.246 1 0 GKAFRO Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc([C@H](O)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000027523390 207325624 /nfs/dbraw/zinc/32/56/24/207325624.db2.gz RLRCTKMUNKCJGK-REWPJTCUSA-N 1 0 380.919 5.348 1 0 GKAFRO CC(=O)O[C@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863168 207349913 /nfs/dbraw/zinc/34/99/13/207349913.db2.gz QYSJEPTYGLQFFN-LTKVOYPCSA-N 1 0 389.539 5.134 1 0 GKAFRO Fc1ccc([C@@H]2CC[NH2+]C[C@H]2COc2cc(Br)ccc2Cl)cc1 ZINC000029040428 207352918 /nfs/dbraw/zinc/35/29/18/207352918.db2.gz MMQAFIMNWZDGGF-BBRMVZONSA-N 1 0 398.703 5.014 1 0 GKAFRO Clc1ccc([C@H]2C[C@H]([NH2+]CCc3ccccc3)c3ccccc32)cc1Cl ZINC000029481879 207362889 /nfs/dbraw/zinc/36/28/89/207362889.db2.gz XSLGKOUEZLIOND-OFNKIYASSA-N 1 0 382.334 6.402 1 0 GKAFRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038308291 207557689 /nfs/dbraw/zinc/55/76/89/207557689.db2.gz WQMNXHOWINIDRC-ARCWCCGYSA-N 1 0 389.624 5.562 1 0 GKAFRO Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3[NH3+])c2c1 ZINC000040876849 207612972 /nfs/dbraw/zinc/61/29/72/207612972.db2.gz ZUNZDGFZAQCHPE-PIFHUYKZSA-N 1 0 392.934 5.444 1 0 GKAFRO C[C@H](Oc1ccc2ncc(/C=C/C[NH3+])cc2c1)c1c(Cl)ccc(F)c1Cl ZINC000045374247 207656936 /nfs/dbraw/zinc/65/69/36/207656936.db2.gz UXIHDGMIULHUSZ-JDGPPOGSSA-N 1 0 391.273 5.793 1 0 GKAFRO CC(C)c1ccc2c(c1)C1(CC[NH+](CC3CCCCCCC3)CC1)C(=O)N2C ZINC000028527691 210528150 /nfs/dbraw/zinc/52/81/50/210528150.db2.gz BRGXPHSPNFIBJM-UHFFFAOYSA-N 1 0 382.592 5.481 1 0 GKAFRO Cc1ccc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 ZINC000027527284 210515112 /nfs/dbraw/zinc/51/51/12/210515112.db2.gz MCHFVMZJGMVKRA-WUFINQPMSA-N 1 0 397.562 5.807 1 0 GKAFRO O=C(c1sc2ccccc2c1Cl)N(Cc1cccs1)C1CC[NH2+]CC1 ZINC000095574283 208233864 /nfs/dbraw/zinc/23/38/64/208233864.db2.gz NDFCFCQXLMNJOU-UHFFFAOYSA-N 1 0 390.961 5.011 1 0 GKAFRO Clc1cc(Cl)c(O[C@@H](c2ccccc2)[C@H]2CC[NH2+]C2)c(-c2ccccn2)c1 ZINC000095587349 208236343 /nfs/dbraw/zinc/23/63/43/208236343.db2.gz QQMFCCASOIUAMW-KKSFZXQISA-N 1 0 399.321 5.785 1 0 GKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1cccc(Br)c1)C2 ZINC000100834304 208382666 /nfs/dbraw/zinc/38/26/66/208382666.db2.gz MQTSMELUXUVGJV-IVAOSVALSA-N 1 0 386.333 5.180 1 0 GKAFRO Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC000100413758 208375383 /nfs/dbraw/zinc/37/53/83/208375383.db2.gz LOMPNXDREJPCDV-LANNDRIQSA-N 1 0 392.934 5.444 1 0 GKAFRO CCc1[nH+]c(Nc2ccc(Cl)cc2Cl)n2ccnc(N(CC)CC)c12 ZINC000013437358 221267994 /nfs/dbraw/zinc/26/79/94/221267994.db2.gz PTEIQBSXNUWQGF-UHFFFAOYSA-N 1 0 378.307 5.188 1 0 GKAFRO c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3OC(c2ccccc2)c2ccccc2)cc1 ZINC000013494202 221270676 /nfs/dbraw/zinc/27/06/76/221270676.db2.gz KUUPJFHVCIKPKT-YHQISMHQSA-N 1 0 383.535 5.703 1 0 GKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1nnc(-c2ccccc2)s1 ZINC000013756869 221287075 /nfs/dbraw/zinc/28/70/75/221287075.db2.gz JEDCEBVTJCGWRB-NMLBUPMWSA-N 1 0 395.959 5.592 1 0 GKAFRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000013913053 221293072 /nfs/dbraw/zinc/29/30/72/221293072.db2.gz SELHCEQNHNORQG-QHCPKHFHSA-N 1 0 390.914 5.011 1 0 GKAFRO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000263637111 209082888 /nfs/dbraw/zinc/08/28/88/209082888.db2.gz KOZCINYDCJVLDW-JIMSJPAYSA-N 1 0 399.663 6.396 1 0 GKAFRO FC(F)(F)c1ccc(CC2=[NH+][C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 ZINC000028129474 221667622 /nfs/dbraw/zinc/66/76/22/221667622.db2.gz BAGOINMLYOUEJC-SZPZYZBQSA-N 1 0 380.413 5.732 1 0 GKAFRO O=C1[C@H](c2ccc(Cl)cc2)CC=CCN1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028394731 221675791 /nfs/dbraw/zinc/67/57/91/221675791.db2.gz UGUJJTMJDKJLOK-GOTSBHOMSA-N 1 0 394.946 5.049 1 0 GKAFRO O=C1NCN(C2CCCCC2)C12CC[NH+]([C@H]1CCCC[C@H]1c1ccccc1)CC2 ZINC000028567930 221679681 /nfs/dbraw/zinc/67/96/81/221679681.db2.gz XPOXAXSWJSXBMX-GOTSBHOMSA-N 1 0 395.591 5.110 1 0 GKAFRO Oc1cccc(C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCCCC3)CC2)c1 ZINC000039233829 221887752 /nfs/dbraw/zinc/88/77/52/221887752.db2.gz JWQCHVHEFDIRSN-SANMLTNESA-N 1 0 392.587 5.407 1 0 GKAFRO O=C1NC[C@H](c2ccccc2)C12CC[NH+](C1(C3CCCCC3)CCCCC1)CC2 ZINC000040812635 221932218 /nfs/dbraw/zinc/93/22/18/221932218.db2.gz WSUGJUNQSQGAGH-HSZRJFAPSA-N 1 0 394.603 5.265 1 0 GKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2c1cccc2-c1cccc(F)c1 ZINC000062224828 222066095 /nfs/dbraw/zinc/06/60/95/222066095.db2.gz FOJCDLICPXTWMB-VWLOTQADSA-N 1 0 393.477 5.747 1 0 GKAFRO CC(C)[C@H](C)COC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]2[N@H+](C)C1 ZINC000064528169 222072549 /nfs/dbraw/zinc/07/25/49/222072549.db2.gz GYZNHBCNOUUWNQ-HGPLWSSJSA-N 1 0 396.575 5.018 1 0 GKAFRO CSc1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000066147985 222139626 /nfs/dbraw/zinc/13/96/26/222139626.db2.gz WWBBFDGOQJQXFK-UHFFFAOYSA-N 1 0 388.536 5.219 1 0 GKAFRO C[C@@H]1[C@H]2C[C@@H](C[C@H]1[NH2+]Cc1coc(-c3ccc(Br)cc3)n1)C2(C)C ZINC000072102972 222205194 /nfs/dbraw/zinc/20/51/94/222205194.db2.gz SHHVPVJJONCICX-KBEZCGTCSA-N 1 0 389.337 5.264 1 0 GKAFRO CCC[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(OC)c1 ZINC000072118200 222206861 /nfs/dbraw/zinc/20/68/61/222206861.db2.gz CDUAZHUOJIZYLC-INIZCTEOSA-N 1 0 378.303 5.200 1 0 GKAFRO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)NC(C)(C)C)c1-3 ZINC000072176229 222217003 /nfs/dbraw/zinc/21/70/03/222217003.db2.gz QBLFVLVMLBAUAE-IBGZPJMESA-N 1 0 378.516 5.106 1 0 GKAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc(-c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000073222763 222268410 /nfs/dbraw/zinc/26/84/10/222268410.db2.gz DOLUVTOFQXUGGU-LJQANCHMSA-N 1 0 397.584 5.097 1 0 GKAFRO [NH3+][C@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084688882 222319110 /nfs/dbraw/zinc/31/91/10/222319110.db2.gz NZYJSDIODHEZGA-FQEVSTJZSA-N 1 0 382.532 6.067 1 0 GKAFRO CCC1=C(c2ccccc2)c2ccc(OCC[NH+](C)C)cc2CCc2ccccc21 ZINC000095540596 222354242 /nfs/dbraw/zinc/35/42/42/222354242.db2.gz HPCWMMVNUPUQNG-UHFFFAOYSA-N 1 0 397.562 6.095 1 0 GKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H]([NH+]3[C@@H](C)COC[C@@H]3C)CC[C@]12C ZINC000095589535 222357514 /nfs/dbraw/zinc/35/75/14/222357514.db2.gz SVKYGVDORTVLKD-BKSLPQGISA-N 1 0 393.656 5.504 1 0 GKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H]([NH+]3CCC(C)CC3)CC[C@]12C ZINC000095590455 222358349 /nfs/dbraw/zinc/35/83/49/222358349.db2.gz HBYGMFZKWCCWDK-LUXCBIKGSA-N 1 0 377.657 6.127 1 0 GKAFRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2csc(-c3ccccc3)c21 ZINC000095603134 222358943 /nfs/dbraw/zinc/35/89/43/222358943.db2.gz MGBUMKVZJQLVHD-UHFFFAOYSA-N 1 0 375.493 5.077 1 0 GKAFRO CCC[N@H+](CCCc1ccccc1OC)[C@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741744 581094358 /nfs/dbraw/zinc/09/43/58/581094358.db2.gz AAYJEWYLPYARLE-NRFANRHFSA-N 1 0 376.544 5.379 1 0 GKAFRO CCC[N@@H+]1CCC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)=C[C@H]1C ZINC000013918244 210096516 /nfs/dbraw/zinc/09/65/16/210096516.db2.gz KSSRXIYWMVGMKJ-QGZVFWFLSA-N 1 0 375.491 5.770 1 0 GKAFRO C[C@H]1C[N@H+](CCc2ccc(Cl)c(Cl)c2)CC[C@@]1(C)c1cccc(O)c1 ZINC000013833018 210093513 /nfs/dbraw/zinc/09/35/13/210093513.db2.gz UOXOBPULBGPOLT-YCRPNKLZSA-N 1 0 378.343 5.541 1 0 GKAFRO O[C@H](C[N@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2)c1ccc(Cl)c(Cl)c1 ZINC000013766721 210090548 /nfs/dbraw/zinc/09/05/48/210090548.db2.gz CDDODAHZNGOHJP-GKTUAVMOSA-N 1 0 376.327 5.437 1 0 GKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1nc(-c2ccccc2)no1 ZINC000013743088 210088065 /nfs/dbraw/zinc/08/80/65/210088065.db2.gz MLEBXCGNNIYOSJ-NMLBUPMWSA-N 1 0 379.891 5.124 1 0 GKAFRO CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000013529630 210064506 /nfs/dbraw/zinc/06/45/06/210064506.db2.gz AIEKUSBFLBFTIU-MENSBAHOSA-N 1 0 388.640 5.100 1 0 GKAFRO CCCCc1ccccc1N(CCC[NH+](C)C)C(=O)c1cc2ccccc2s1 ZINC000013537661 210064207 /nfs/dbraw/zinc/06/42/07/210064207.db2.gz HAONPFQPSCVCQO-UHFFFAOYSA-N 1 0 394.584 5.842 1 0 GKAFRO O=C1Nc2cccc3c2[C@]1(CCCC[NH+]1CCC(c2ccccc2)CC1)CCC3 ZINC000013473700 210063033 /nfs/dbraw/zinc/06/30/33/210063033.db2.gz JDEHFOZPDOJQHX-SANMLTNESA-N 1 0 388.555 5.263 1 0 GKAFRO C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3CC[C@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3C[N@@H+]2C1 ZINC000095918640 291150093 /nfs/dbraw/zinc/15/00/93/291150093.db2.gz BMMRSXNAPFQLLU-QHSHMIJLSA-N 1 0 397.647 5.513 1 0 biogenic,in-vitro GKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccc(F)cc1 ZINC000005161408 209232540 /nfs/dbraw/zinc/23/25/40/209232540.db2.gz PUTKXMDXVJKFKD-HNNXBMFYSA-N 1 0 383.467 5.023 1 0 GKAFRO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@H](C)C[NH2+]2 ZINC000263637110 212031542 /nfs/dbraw/zinc/03/15/42/212031542.db2.gz KOZCINYDCJVLDW-FPTUTAJZSA-N 1 0 399.663 6.396 1 0 GKAFRO C[NH2+][C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013529633 203794758 /nfs/dbraw/zinc/79/47/58/203794758.db2.gz WRFQFEGHCJALCO-MENSBAHOSA-N 1 0 388.640 5.100 1 0 GKAFRO Clc1ccc(OCc2nc3ccccc3n2CCCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780289 204513798 /nfs/dbraw/zinc/51/37/98/204513798.db2.gz VSPYQKXDPIJDQS-SFHVURJKSA-N 1 0 397.950 5.439 1 0 GKAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(-c4ccc(Cl)cc4)no2)[N@@H+]3C)cc1 ZINC000036271698 205009806 /nfs/dbraw/zinc/00/98/06/205009806.db2.gz MUVQRHMVRFZUGP-CETSDDCJSA-N 1 0 392.930 6.037 1 0 GKAFRO CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)ccc2[nH+]1 ZINC000036351821 205012057 /nfs/dbraw/zinc/01/20/57/205012057.db2.gz KBOMELJTXUUCNC-NTEUORMPSA-N 1 0 387.527 5.719 1 0 GKAFRO CC[NH+]1CCC(c2ccc3c(c2)[nH]c(-c2ccc(F)cc2)c3-c2ccncc2)CC1 ZINC000040423112 205065869 /nfs/dbraw/zinc/06/58/69/205065869.db2.gz YDVVSWHDAMAWRQ-UHFFFAOYSA-N 1 0 399.513 6.235 1 0 GKAFRO C[C@H](C[NH+](C)C)C(=O)Nc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000045192265 205092073 /nfs/dbraw/zinc/09/20/73/205092073.db2.gz MVMRNKBSLNZWOA-QGZVFWFLSA-N 1 0 398.510 5.033 1 0 GKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC[C@@H]5C[NH3+])c4)cc3)nc21 ZINC000045188632 205092590 /nfs/dbraw/zinc/09/25/90/205092590.db2.gz PPOAXIKBTDFKPJ-HSZRJFAPSA-N 1 0 396.538 5.128 1 0 GKAFRO C[N@@H+]1CCCc2cc(NC(=O)c3cc(-c4ccc(Cl)cc4)cs3)ccc2C1 ZINC000045191312 205093072 /nfs/dbraw/zinc/09/30/72/205093072.db2.gz VWQMPXSKARFJJU-UHFFFAOYSA-N 1 0 396.943 5.699 1 0 GKAFRO c1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@@H+](CC2CC2)CC4)cc1 ZINC000045283964 205093777 /nfs/dbraw/zinc/09/37/77/205093777.db2.gz CDLAPAAACNSKLQ-WYMJOSIYSA-N 1 0 386.583 5.767 1 0 in-vivo GKAFRO Clc1ccc2cc(-c3ccc(Oc4ccc(C5=[NH+]CCN5)cc4)cc3)[nH]c2c1 ZINC000045366572 205095808 /nfs/dbraw/zinc/09/58/08/205095808.db2.gz GFILAVRAGCTHOK-UHFFFAOYSA-N 1 0 387.870 5.630 1 0 GKAFRO FC(F)(F)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000040953925 205075727 /nfs/dbraw/zinc/07/57/27/205075727.db2.gz VVMFRJIOTJIKSV-JOCHJYFZSA-N 1 0 395.468 6.752 1 0 GKAFRO CC[C@H](C)[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1 ZINC000072118395 205304887 /nfs/dbraw/zinc/30/48/87/205304887.db2.gz YMLOBIGOASIKGN-SGTLLEGYSA-N 1 0 379.401 5.288 1 0 GKAFRO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(OC)c1 ZINC000072118198 205305750 /nfs/dbraw/zinc/30/57/50/205305750.db2.gz WWCILMQVGHYLTQ-BLVKFPJESA-N 1 0 392.330 5.446 1 0 GKAFRO CC1=Nc2ccc(-c3ccco3)cc2[C@H](c2ccccc2)N1CC[NH+]1CCCCC1 ZINC000072123137 205306418 /nfs/dbraw/zinc/30/64/18/205306418.db2.gz OKTFKVGDFAIBPE-SANMLTNESA-N 1 0 399.538 5.887 1 0 GKAFRO Brc1ccc(-c2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)co2)cc1 ZINC000072181712 205317717 /nfs/dbraw/zinc/31/77/17/205317717.db2.gz VDVUJKLVQKPGNY-UHFFFAOYSA-N 1 0 387.321 5.163 1 0 GKAFRO C[C@@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)CC(C)(C)C1 ZINC000072184146 205317928 /nfs/dbraw/zinc/31/79/28/205317928.db2.gz VIPDAASUYAPMCD-CZUORRHYSA-N 1 0 377.326 5.409 1 0 GKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1cccc(Cl)c1 ZINC000082154531 205390094 /nfs/dbraw/zinc/39/00/94/205390094.db2.gz HYDSNRZWSIEOJV-HNNXBMFYSA-N 1 0 399.922 5.537 1 0 GKAFRO O=C(Nc1ccc(C2=CC[NH2+]CC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000084635037 205397738 /nfs/dbraw/zinc/39/77/38/205397738.db2.gz CKDXGBVERZNORW-UHFFFAOYSA-N 1 0 378.859 5.229 1 0 GKAFRO Cc1ccc(Oc2cc([C@H](O)C[C@@H]3CCCC[NH2+]3)c3cc(Cl)ccc3n2)cc1 ZINC000169338007 205827569 /nfs/dbraw/zinc/82/75/69/205827569.db2.gz ALSKOSWHBRYTSU-HTAPYJJXSA-N 1 0 396.918 5.555 1 0 GKAFRO Cc1cccc2c([C@H](O)C[C@H]3CCCC[NH2+]3)cc(-c3ccc(Cl)cc3)nc12 ZINC000169333490 211636216 /nfs/dbraw/zinc/63/62/16/211636216.db2.gz UHBGXHPKOHISAA-XMSQKQJNSA-N 1 0 380.919 5.429 1 0 GKAFRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000096930045 211352912 /nfs/dbraw/zinc/35/29/12/211352912.db2.gz BVHFUZSLTYUJLY-OAQYLSRUSA-N 1 0 381.519 6.612 1 0 GKAFRO CCCCCCn1c2ccccc2c(=O)cc1-c1cc[n+](CCCCCC)cc1 ZINC000096932249 211351917 /nfs/dbraw/zinc/35/19/17/211351917.db2.gz IZIZHHAIIAFBLJ-UHFFFAOYSA-N 1 0 391.579 6.117 1 0 GKAFRO Clc1ccc2c(c1)CCc1cccnc1C2=C1CC[NH+]([C@@H]2CC=CCC2)CC1 ZINC000096907883 211351148 /nfs/dbraw/zinc/35/11/48/211351148.db2.gz RODDBAABSCYNJN-JOCHJYFZSA-N 1 0 390.958 5.840 1 0 GKAFRO O=C1Nc2ccc(C3CC[NH2+]CC3)cc2Cc2cc(-c3ccc(Cl)cc3)oc21 ZINC000096270553 211328545 /nfs/dbraw/zinc/32/85/45/211328545.db2.gz RDLGFGGONWCSDW-UHFFFAOYSA-N 1 0 392.886 5.224 1 0 GKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H](O)[C@@H]([NH2+]Cc3ccoc3)CC[C@]12C ZINC000095588655 211281201 /nfs/dbraw/zinc/28/12/01/211281201.db2.gz BDZTXNUVDKOFAO-KAJOGEKBSA-N 1 0 375.597 5.778 1 0 GKAFRO CCN(CC)C(=O)c1ccccc1-c1cc(C(C)(C)C)[s+]c(C(C)(C)C)c1 ZINC000084739980 211174487 /nfs/dbraw/zinc/17/44/87/211174487.db2.gz FHYFDLHUDNTGKV-UHFFFAOYSA-N 1 0 384.609 6.773 1 0 GKAFRO CC1CC[NH+](CCOc2ccc(Cc3c(O)ccc4ccccc43)cc2)CC1 ZINC000072178992 211082360 /nfs/dbraw/zinc/08/23/60/211082360.db2.gz KTKMOGSPGCGHEQ-UHFFFAOYSA-N 1 0 375.512 5.247 1 0 GKAFRO Cc1cc(C)c(CN2C=[N+](Cc3c(C)cc(C)cc3C)[C@H]3CCCC[C@H]32)c(C)c1 ZINC000072121368 211071412 /nfs/dbraw/zinc/07/14/12/211071412.db2.gz HRLJUVQDFQFUFR-MKPDMIMOSA-N 1 0 389.607 5.905 1 0 GKAFRO CCC[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1 ZINC000072118262 211070370 /nfs/dbraw/zinc/07/03/70/211070370.db2.gz QYWUNRWGHCCNOQ-HNNXBMFYSA-N 1 0 382.722 5.845 1 0 GKAFRO COc1cccc(Cn2c3ccc(C(F)(F)F)cc3nc2[C@@H]([NH3+])CC(C)C)c1 ZINC000072118255 211069949 /nfs/dbraw/zinc/06/99/49/211069949.db2.gz BYAXEYCGRIFONP-KRWDZBQOSA-N 1 0 391.437 5.158 1 0 GKAFRO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(Cl)c1 ZINC000072114636 211069762 /nfs/dbraw/zinc/06/97/62/211069762.db2.gz QLPUDERHBHPBIB-ZMZPIMSZSA-N 1 0 396.749 6.091 1 0 GKAFRO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1 ZINC000072118677 211068918 /nfs/dbraw/zinc/06/89/18/211068918.db2.gz KBDUPISLFBWUCH-XIKOKIGWSA-N 1 0 395.856 5.803 1 0 GKAFRO Clc1ccc(OCc2nc3ccccc3n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780286 207000165 /nfs/dbraw/zinc/00/01/65/207000165.db2.gz IERFYIGMJQXNDH-KRWDZBQOSA-N 1 0 383.923 5.049 1 0 GKAFRO Fc1ccc2c(c1)onc2CCC[N@H+]1[C@@H]2CC[C@H]1Cc1[nH]c3ccc(F)cc3c12 ZINC000013827352 207001037 /nfs/dbraw/zinc/00/10/37/207001037.db2.gz FUWBTIWZNWXCRS-YCRPNKLZSA-N 1 0 393.437 5.282 1 0 GKAFRO Brc1ccc2c(c1)onc2CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000013745745 206997596 /nfs/dbraw/zinc/99/75/96/206997596.db2.gz SVVHWFKGOPNOLR-UHFFFAOYSA-N 1 0 399.332 5.435 1 0 GKAFRO C[NH+](C)C12CC(=O)C([C@@H](c3ccc(Cl)cc3)C1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000040764323 210795183 /nfs/dbraw/zinc/79/51/83/210795183.db2.gz FQJTUZVNMQJSKL-RVEPMOMFSA-N 1 0 388.338 5.544 1 0 GKAFRO O[C@@H]1CCCc2[nH+]c3cc(F)ccc3c(NCc3ccccc3C(F)(F)F)c21 ZINC000014946527 207033551 /nfs/dbraw/zinc/03/35/51/207033551.db2.gz LSWZHJUDTDSZPN-GOSISDBHSA-N 1 0 390.380 5.375 1 0 GKAFRO Cc1nc2cc(-c3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1C[NH3+] ZINC000035967554 210701908 /nfs/dbraw/zinc/70/19/08/210701908.db2.gz AOKRQCIWMGZDDW-UHFFFAOYSA-N 1 0 383.282 5.137 1 0 GKAFRO C[N@@H+]1CCCC[C@H]1Cn1cc(C(=O)Nc2cccc3ccccc32)c2ccccc21 ZINC000017216058 207087342 /nfs/dbraw/zinc/08/73/42/207087342.db2.gz OLJFLNSWHPRAPF-FQEVSTJZSA-N 1 0 397.522 5.531 1 0 GKAFRO Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)c(C[NH3+])n2C1CCCC1 ZINC000026276958 207311396 /nfs/dbraw/zinc/31/13/96/207311396.db2.gz PMZVFSAGPDDIJA-UHFFFAOYSA-N 1 0 399.498 5.047 1 0 GKAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000026184390 207309946 /nfs/dbraw/zinc/30/99/46/207309946.db2.gz MYYQJJHWMFXPIO-ZWKOTPCHSA-N 1 0 388.298 5.246 1 0 GKAFRO Oc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 ZINC000026658860 207318219 /nfs/dbraw/zinc/31/82/19/207318219.db2.gz XLPKSIDATCAANT-HXUWFJFHSA-N 1 0 384.266 5.528 1 0 GKAFRO C[C@]12Cc3ccccc3C[C@@]1(c1cccc(O)c1)CC[N@@H+](CCc1ccccc1)C2 ZINC000026842794 207320228 /nfs/dbraw/zinc/32/02/28/207320228.db2.gz ITGNKLZJCRMFGA-VSGBNLITSA-N 1 0 397.562 5.384 1 0 GKAFRO CCCCn1cc(SC2CC[NH+](C)CC2)c2cc(Br)ccc21 ZINC000027882101 207331676 /nfs/dbraw/zinc/33/16/76/207331676.db2.gz DSEHASMXYWDLBU-UHFFFAOYSA-N 1 0 381.383 5.390 1 0 GKAFRO Cc1[nH]c2ccccc2c1CCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000027868914 207332481 /nfs/dbraw/zinc/33/24/81/207332481.db2.gz BLUHJUKYYRIPSS-UHFFFAOYSA-N 1 0 391.490 5.569 1 0 GKAFRO O[C@@H](c1cc(-c2ccccc2)nc2c1cccc2C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000027524188 207326384 /nfs/dbraw/zinc/32/63/84/207326384.db2.gz ORUFAEQGRVYQMI-RXVVDRJESA-N 1 0 386.417 5.096 1 0 GKAFRO c1ccc(CC[NH2+]CCS[C@@H]2Cc3ccccc3Oc3ccccc32)cc1 ZINC000027558295 207327498 /nfs/dbraw/zinc/32/74/98/207327498.db2.gz JWUDKWQABAVGKE-XMMPIXPASA-N 1 0 375.537 5.642 1 0 GKAFRO OC1(c2ccccc2)CC[NH+]([C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000028708202 207346939 /nfs/dbraw/zinc/34/69/39/207346939.db2.gz CBDYMAGHGCBOIN-HSZRJFAPSA-N 1 0 377.915 5.413 1 0 GKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028817077 207348406 /nfs/dbraw/zinc/34/84/06/207348406.db2.gz LTTPWCPNNZPPLF-UHFFFAOYSA-N 1 0 377.915 5.413 1 0 in-vivo GKAFRO CCCCCn1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc21 ZINC000028864509 207349064 /nfs/dbraw/zinc/34/90/64/207349064.db2.gz ZIFRHKZGZSZWKC-UHFFFAOYSA-N 1 0 378.560 5.250 1 0 GKAFRO S=c1sc2ccccc2n1CCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000029134265 207357867 /nfs/dbraw/zinc/35/78/67/207357867.db2.gz FJGOTAJCEJCFEV-UHFFFAOYSA-N 1 0 389.634 5.163 1 0 in-vivo GKAFRO CCCCCn1c2ccccc2nc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000029565761 207365134 /nfs/dbraw/zinc/36/51/34/207365134.db2.gz RSZPIEKCDADZPS-UHFFFAOYSA-N 1 0 390.575 5.346 1 0 GKAFRO Fc1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCCCC5)cc4)s3)nc2c1 ZINC000045211339 207650592 /nfs/dbraw/zinc/65/05/92/207650592.db2.gz XNLJJBLXKZINNK-UHFFFAOYSA-N 1 0 391.515 6.083 1 0 GKAFRO C[C@H](C[NH+](C)C)C(=O)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000045334425 207653076 /nfs/dbraw/zinc/65/30/76/207653076.db2.gz BTDYGSOHRBBYEU-QGZVFWFLSA-N 1 0 398.510 5.033 1 0 GKAFRO CC1(C)C[NH2+]CC[C@H]1CNC(=O)c1cc(Cl)ccc1-c1cccc(Cl)c1 ZINC000049034890 207704885 /nfs/dbraw/zinc/70/48/85/207704885.db2.gz WSELCZKNVXQNQU-HNNXBMFYSA-N 1 0 391.342 5.026 1 0 GKAFRO Fc1ccc2nc(NCCC[NH2+]Cc3ccc(Cl)c(Cl)c3)sc2c1 ZINC000084617950 208093430 /nfs/dbraw/zinc/09/34/30/208093430.db2.gz PUCSCVJVHDGBAJ-UHFFFAOYSA-N 1 0 384.307 5.334 1 0 GKAFRO C[NH+]1CCC(Oc2ccc3cc(-c4ccc(C(C)(C)C)cc4)c(=O)oc3c2)CC1 ZINC000084725734 208097967 /nfs/dbraw/zinc/09/79/67/208097967.db2.gz YYTGASQNUYAKRW-UHFFFAOYSA-N 1 0 391.511 5.231 1 0 GKAFRO C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(C[S@@](C)=O)cc21 ZINC000028571563 210529154 /nfs/dbraw/zinc/52/91/54/210529154.db2.gz MLTWEZLEOAHOAA-ULNAFTNLSA-N 1 0 382.356 5.058 1 0 GKAFRO C[N@@H+](Cc1ccc(I)cc1)C[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000095560665 208232582 /nfs/dbraw/zinc/23/25/82/208232582.db2.gz KNVBEUMTQORZCV-GJYPPUQNSA-N 1 0 397.344 5.185 1 0 GKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H]([NH2+]Cc3cccnc3)CC[C@]12C ZINC000095589626 208236610 /nfs/dbraw/zinc/23/66/10/208236610.db2.gz KDEPGQJQTLNUKN-SCXVUIJOSA-N 1 0 386.624 5.580 1 0 GKAFRO CC(C)(C)c1ccc(-c2cccc3cc(-c4ccccc4CC[NH3+])ccc32)cc1 ZINC000095602079 208238208 /nfs/dbraw/zinc/23/82/08/208238208.db2.gz YJBAXHONQAMDSZ-UHFFFAOYSA-N 1 0 379.547 6.973 1 0 GKAFRO Cc1ccc(/N=c2\ccn(CCC[NH+]3CCCCC3)c3cc(Cl)ccc32)cc1 ZINC000096931944 208330070 /nfs/dbraw/zinc/33/00/70/208330070.db2.gz PIMSSPXBYCCHTF-WNAAXNPUSA-N 1 0 393.962 5.712 1 0 GKAFRO CCCC[NH+]1CCN(C2=Nc3ccc(CC)cc3CC=C2c2ccccc2)CC1 ZINC000101170972 208387895 /nfs/dbraw/zinc/38/78/95/208387895.db2.gz UTHZCGKMDYEQRG-UHFFFAOYSA-N 1 0 387.571 5.336 1 0 GKAFRO Cc1ccc(Oc2cc([C@H](O)C[C@H]3CCCC[NH2+]3)c3cc(Cl)ccc3n2)cc1 ZINC000169338011 208730511 /nfs/dbraw/zinc/73/05/11/208730511.db2.gz ALSKOSWHBRYTSU-VGOFRKELSA-N 1 0 396.918 5.555 1 0 GKAFRO Cc1cc(C)cc(NC(=O)[C@@H]2CC23CC[NH+](Cc2ccc4ncccc4c2)CC3)c1 ZINC000011966229 221140367 /nfs/dbraw/zinc/14/03/67/221140367.db2.gz XOGQEYBQSIHPCN-QHCPKHFHSA-N 1 0 399.538 5.092 1 0 GKAFRO O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1[N@@H+](Cc1ccc2ccccc2c1)CC3 ZINC000013532291 221271753 /nfs/dbraw/zinc/27/17/53/221271753.db2.gz KYQHQUFUGAUIJV-SCTDOJESSA-N 1 0 397.518 5.444 1 0 GKAFRO Clc1cccc(-n2nc(C3CC[NH2+]CC3)cc2-c2ccc3ccccc3c2)c1 ZINC000013580858 221274467 /nfs/dbraw/zinc/27/44/67/221274467.db2.gz JMCDTJYBWVOZLZ-UHFFFAOYSA-N 1 0 387.914 5.813 1 0 GKAFRO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCC[C@@H]1CCC[NH2+]C1 ZINC000013780292 221288581 /nfs/dbraw/zinc/28/85/81/221288581.db2.gz WAIGOCMMTMZHTI-SFHVURJKSA-N 1 0 397.950 5.357 1 0 GKAFRO Cc1c(C(=O)c2cccc3ccccc32)c2ccccc2n1C[C@H]1CCC[N@H+]1C ZINC000013781966 221289132 /nfs/dbraw/zinc/28/91/32/221289132.db2.gz WQJDFALYGBYOOO-HXUWFJFHSA-N 1 0 382.507 5.428 1 0 GKAFRO COc1cccc2c1CCC[C@@H]2CCC[NH2+]CC[C@H]1CCCc2ccccc21 ZINC000013745379 221286569 /nfs/dbraw/zinc/28/65/69/221286569.db2.gz XZHVVPSJMFRQCB-FGZHOGPDSA-N 1 0 377.572 5.995 1 0 GKAFRO c1[nH]c2cccc3c2c1C[C@@H]1C[N@H+](Cc2cccc(-c4ccccc4)c2)CCN31 ZINC000072315820 136168228 /nfs/dbraw/zinc/16/82/28/136168228.db2.gz YMYDUVXFUAIERG-HSZRJFAPSA-N 1 0 379.507 5.082 1 0 GKAFRO c1ccc([C@H](c2ccc(N3CC[NH2+]CC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000084618541 136175075 /nfs/dbraw/zinc/17/50/75/136175075.db2.gz HBXNTQUIWJGXNY-KILAOCTPSA-N 1 0 386.583 5.445 1 0 GKAFRO Cc1[nH+]c2ccccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C ZINC000095554512 136182012 /nfs/dbraw/zinc/18/20/12/136182012.db2.gz DUESCAIUUFXQAS-UHFFFAOYSA-N 1 0 387.527 5.118 1 0 GKAFRO COc1ccccc1N1CC[NH+](Cc2ccccc2-c2ccccc2Cl)CC1 ZINC000096910026 136187709 /nfs/dbraw/zinc/18/77/09/136187709.db2.gz ZYUJWVDTWADMKQ-UHFFFAOYSA-N 1 0 392.930 5.338 1 0 GKAFRO c1[nH]c2cccc3c2c1C[C@H]1C[N@H+](Cc2ccc(-c4ccccc4)cc2)CCN31 ZINC000169351338 136197250 /nfs/dbraw/zinc/19/72/50/136197250.db2.gz LBALZQQRFZMPJO-QHCPKHFHSA-N 1 0 379.507 5.082 1 0 GKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc(Cl)cc2C)n1 ZINC000028012738 221666872 /nfs/dbraw/zinc/66/68/72/221666872.db2.gz KSJUFIPSZGIVLF-UHFFFAOYSA-N 1 0 394.978 5.583 1 0 GKAFRO CC[C@@]1(CCCC[NH+]2CCC(c3ccc(F)cc3)CC2)c2ccccc2NC1=O ZINC000029054084 221687948 /nfs/dbraw/zinc/68/79/48/221687948.db2.gz RPGCMKTUMDQRAK-RUZDIDTESA-N 1 0 394.534 5.476 1 0 GKAFRO O[C@@](c1ccccc1)(c1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000035246374 221812400 /nfs/dbraw/zinc/81/24/00/221812400.db2.gz JABFZQNVUHZJNX-XMMPIXPASA-N 1 0 377.915 5.220 1 0 GKAFRO Cc1ccc(-c2cc([C@H]3[C@@H]4CC[C@H](C[C@@H]3c3ccc(Cl)cc3)[N@H+]4C)on2)cc1 ZINC000036270815 221849462 /nfs/dbraw/zinc/84/94/62/221849462.db2.gz AUXUFNHAVGIVDC-ZBJYJBBSSA-N 1 0 392.930 6.037 1 0 GKAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](c1cc(-c3ccccc3)no1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000058576948 222054214 /nfs/dbraw/zinc/05/42/14/222054214.db2.gz ZGCYMNJHHKQEGA-URLVKDPJSA-N 1 0 378.903 5.729 1 0 GKAFRO Cc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)C[N@@H+]2Cc2ccccc2)c1 ZINC000061942626 222063740 /nfs/dbraw/zinc/06/37/40/222063740.db2.gz CWLJIQZLOVNZND-URORMMCBSA-N 1 0 398.550 5.471 3 0 GKAFRO COc1ccc(C[N@@H+]2CC[C@](C)(Oc3ccc(C(C)=O)cc3)C2)c2ccccc12 ZINC000061926707 222063805 /nfs/dbraw/zinc/06/38/05/222063805.db2.gz KFNHYIBJRWUPOS-VWLOTQADSA-N 1 0 389.495 5.094 3 0 GKAFRO Cc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CC[C@H](C[NH+](C)C)C4)cc2)cc1 ZINC000072113058 222206584 /nfs/dbraw/zinc/20/65/84/222206584.db2.gz LZYYQXOPZXIZAG-FQEVSTJZSA-N 1 0 398.550 5.581 1 0 GKAFRO CC[C@H](C)[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1 ZINC000072118678 222206631 /nfs/dbraw/zinc/20/66/31/222206631.db2.gz KBDUPISLFBWUCH-SGTLLEGYSA-N 1 0 395.856 5.803 1 0 GKAFRO C[NH+](C)C[C@@H]1CCc2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2C1 ZINC000072112930 222206891 /nfs/dbraw/zinc/20/68/91/222206891.db2.gz VFBMSRXQQVKWMY-LJQANCHMSA-N 1 0 384.523 5.272 1 0 GKAFRO CC[C@H](C)[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(Cl)c1 ZINC000072114637 222206988 /nfs/dbraw/zinc/20/69/88/222206988.db2.gz QLPUDERHBHPBIB-VOJFVSQTSA-N 1 0 396.749 6.091 1 0 GKAFRO CC(C)CC[NH2+][C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072134973 222210549 /nfs/dbraw/zinc/21/05/49/222210549.db2.gz CCPDDUWURQCKST-VZZSONICSA-N 1 0 389.668 6.030 1 0 GKAFRO CC(C)CC[NH2+][C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072134976 222211323 /nfs/dbraw/zinc/21/13/23/222211323.db2.gz MWIYLVBKZBCYBV-TUWWKGRPSA-N 1 0 387.652 6.239 1 0 GKAFRO c1ccc2nc(-c3noc(C4CC[NH+](CC5CCCCC5)CC4)n3)ccc2c1 ZINC000072179536 222216858 /nfs/dbraw/zinc/21/68/58/222216858.db2.gz BWCISGZFKCVWPX-UHFFFAOYSA-N 1 0 376.504 5.045 1 0 GKAFRO C[C@@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000073164967 222268212 /nfs/dbraw/zinc/26/82/12/222268212.db2.gz AJMLLQGJLSFTSX-XAUMDUMWSA-N 1 0 398.472 5.985 1 0 GKAFRO [NH3+]Cc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 ZINC000082159994 222312976 /nfs/dbraw/zinc/31/29/76/222312976.db2.gz PLHJVZIWOLPJKO-UHFFFAOYSA-N 1 0 375.472 5.036 1 0 GKAFRO c1ccc(C(c2ccccc2)(c2ccc3ccccc3c2)[NH+]2CCCCC2)cc1 ZINC000084690051 222321084 /nfs/dbraw/zinc/32/10/84/222321084.db2.gz ZGVZZIXSOXVTTL-UHFFFAOYSA-N 1 0 377.531 6.618 1 0 GKAFRO c1sc(-c2ccccc2)c2c1C1(CC[NH+](Cc3ccccc3)CC1)OCC2 ZINC000095554144 222354870 /nfs/dbraw/zinc/35/48/70/222354870.db2.gz NGZYHPUCVJSGAU-UHFFFAOYSA-N 1 0 375.537 5.479 1 0 GKAFRO Cc1ccc2nc(Nc3ccc(Cl)cc3)cc([C@@H](O)C[C@@H]3CCCC[NH2+]3)c2c1 ZINC000169334324 222534208 /nfs/dbraw/zinc/53/42/08/222534208.db2.gz VMXGWAGHROAYJI-AVRDEDQJSA-N 1 0 395.934 5.506 1 0 GKAFRO CC(C)(C)[C@H]1CCCC2=C1[NH2+]N(c1nc3ccccc3s1)[C@]2(O)C(F)(F)F ZINC000036056940 570551862 /nfs/dbraw/zinc/55/18/62/570551862.db2.gz CEBFJVCUBNTZND-VNBZBWLYSA-N 1 0 397.466 5.186 2 0 GKAFRO C[C@@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@H+]2C[C@H](C)CC[C@@H]12 ZINC000118936891 571845532 /nfs/dbraw/zinc/84/55/32/571845532.db2.gz JALVTHFTYRPDMB-CUYGNHRFSA-N 1 0 399.663 5.735 1 0 endogenous,in-man GKAFRO Cc1cc(NCCC2CC[NH+](Cc3ccccc3)CC2)nnc1-c1ccccc1 ZINC000013863621 581091596 /nfs/dbraw/zinc/09/15/96/581091596.db2.gz WWPRLDLNFHABPS-UHFFFAOYSA-N 1 0 386.543 5.166 1 0 GKAFRO c1nc2cc(-c3ccc(OCC[NH+]4CCCCC4)cc3)ccc2n1-c1ccccc1 ZINC000003816602 581093114 /nfs/dbraw/zinc/09/31/14/581093114.db2.gz PNGUVNHPACPGIY-UHFFFAOYSA-N 1 0 397.522 5.557 1 0 GKAFRO NC(=[NH2+])c1ccc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)ccc2c1 ZINC000013532798 581097242 /nfs/dbraw/zinc/09/72/42/581097242.db2.gz OYUCVZZYEOAVJY-UHFFFAOYSA-N 1 0 381.435 5.168 1 0 GKAFRO CSc1nc(-c2ccnc(NCc3cccnc3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040933560 581098408 /nfs/dbraw/zinc/09/84/08/581098408.db2.gz VWNPCLVIVGWXHL-UHFFFAOYSA-N 1 0 391.475 5.007 1 0 GKAFRO c1c2ccccc2sc1CCCC[N@H+]1[C@@H]2CC[C@H]1Cc1[nH]c3ccccc3c12 ZINC000013827364 210094460 /nfs/dbraw/zinc/09/44/60/210094460.db2.gz NFZHTJRJDDMXHV-FDDCHVKYSA-N 1 0 386.564 6.467 1 0 GKAFRO CC[N@@H+]1CCc2c3ccccc3sc2[C@@H](c2cccc(Br)c2)C1 ZINC000013781859 210089792 /nfs/dbraw/zinc/08/97/92/210089792.db2.gz AZJLNNJMUCJPAO-GOSISDBHSA-N 1 0 386.358 5.674 1 0 GKAFRO Cc1ccc(C(C(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)c2ccc(C)cc2)cc1 ZINC000013733998 210087089 /nfs/dbraw/zinc/08/70/89/210087089.db2.gz DZJSRGDCPYFRRD-SZPZYZBQSA-N 1 0 392.587 5.205 1 0 GKAFRO CCCN(CCC)c1cc(C)[nH+]c2c(-c3ccc(OC)cc3OC)cccc12 ZINC000013553470 210067276 /nfs/dbraw/zinc/06/72/76/210067276.db2.gz NSVXDUOFUGHLQP-UHFFFAOYSA-N 1 0 378.516 5.854 1 0 GKAFRO O=C(Nc1ccc(C[NH+]2CCSCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000006582599 209657857 /nfs/dbraw/zinc/65/78/57/209657857.db2.gz XEGUXKJQSFZXCI-UHFFFAOYSA-N 1 0 388.536 5.155 1 0 GKAFRO Cc1nc2ccc(C(=O)CCC3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000000606695 209227254 /nfs/dbraw/zinc/22/72/54/209227254.db2.gz WUDBCFDOLSHYHH-UHFFFAOYSA-N 1 0 378.541 5.480 1 0 GKAFRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000004908740 204089798 /nfs/dbraw/zinc/08/97/98/204089798.db2.gz HVFUMDAGAONKNU-GOSISDBHSA-N 1 0 399.922 5.019 1 0 GKAFRO CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+]Cc3cccnc3)CCC[C@]21C ZINC000004475395 204046555 /nfs/dbraw/zinc/04/65/55/204046555.db2.gz HLBOPDVKVWFGHS-KKUQBAQOSA-N 1 0 376.588 6.005 2 0 GKAFRO COc1ccc(/C=C2\C=C(CC[NH+]3CCOCC3)c3ccccc32)c2ccccc12 ZINC000027212912 204852435 /nfs/dbraw/zinc/85/24/35/204852435.db2.gz YKCYUNDBAMPXFG-RELWKKBWSA-N 1 0 397.518 5.508 1 0 GKAFRO COc1ccc(-c2ccc(/C=C/c3ccc4ccccc4[n+]3C)o2)cc1Cl ZINC000040379889 205062658 /nfs/dbraw/zinc/06/26/58/205062658.db2.gz SBSARUONVKQCSA-ZHACJKMWSA-N 1 0 376.863 5.757 1 0 GKAFRO Cc1cccc2[nH]c(-c3cccc(-c4ccc(CN5CCC[C@@H]5C[NH3+])cc4)c3)nc21 ZINC000045167090 205093156 /nfs/dbraw/zinc/09/31/56/205093156.db2.gz NVSSXLMIYICOHL-HSZRJFAPSA-N 1 0 396.538 5.128 1 0 GKAFRO NC(=[NH2+])c1cc2cc(-c3cccc(OCc4ccccc4F)c3)ccc2s1 ZINC000045387886 205096411 /nfs/dbraw/zinc/09/64/11/205096411.db2.gz DECKAWYLAUJTJA-UHFFFAOYSA-N 1 0 376.456 5.570 1 0 GKAFRO Cc1ccc(C[N@H+]([C@H]2CC(=O)c3ccccc32)[C@@H]2CCc3ccccc3C2)cc1 ZINC000058480594 205176249 /nfs/dbraw/zinc/17/62/49/205176249.db2.gz RVQKJSIAXQYDMK-BVAGGSTKSA-N 1 0 381.519 5.682 1 0 GKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3ccccc3)ccc21 ZINC000062224776 205185541 /nfs/dbraw/zinc/18/55/41/205185541.db2.gz FHOJGOWAGBEJGR-VWLOTQADSA-N 1 0 375.487 5.608 1 0 GKAFRO CCCCCC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000066078493 205240399 /nfs/dbraw/zinc/24/03/99/205240399.db2.gz ZGIRHUKIUUZULV-UHFFFAOYSA-N 1 0 380.532 5.947 1 0 GKAFRO CSc1ccc2c(c1)c1c(ccc[n+]1C)n2CCCCCC1CCCCC1 ZINC000071295010 205281154 /nfs/dbraw/zinc/28/11/54/205281154.db2.gz IWCDMXOHTPVIBD-UHFFFAOYSA-N 1 0 381.609 6.482 1 0 GKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccc(Cl)cc1 ZINC000082152212 205389013 /nfs/dbraw/zinc/38/90/13/205389013.db2.gz LLWDAJZZTBLYPU-OAHLLOKOSA-N 1 0 399.922 5.537 1 0 GKAFRO Cc1ccc(Oc2cc([C@@H](O)C[C@@H]3CCCC[NH2+]3)c3cc(C)ccc3n2)cc1 ZINC000169334945 205828360 /nfs/dbraw/zinc/82/83/60/205828360.db2.gz PEAAGTSZVWMATN-MBSDFSHPSA-N 1 0 376.500 5.210 1 0 GKAFRO C[NH2+]CCOc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1 ZINC000169353725 205829621 /nfs/dbraw/zinc/82/96/21/205829621.db2.gz KMEODEUIEXFXBB-UHFFFAOYSA-N 1 0 385.507 5.286 1 0 GKAFRO CC[NH+](CC)C[C@@H](O)c1cc(Cl)cc2ccc(-c3ccc(Cl)cc3)nc21 ZINC000169339238 205829709 /nfs/dbraw/zinc/82/97/09/205829709.db2.gz DAWPOHUPXBNSHA-HXUWFJFHSA-N 1 0 389.326 5.584 1 0 GKAFRO [NH3+]Cc1cccc(-c2ccc3c(cccc3-c3cccc(-c4ccccc4)c3)c2)c1 ZINC000095604758 211282061 /nfs/dbraw/zinc/28/20/61/211282061.db2.gz CMYPACVXWOOXAC-UHFFFAOYSA-N 1 0 385.510 7.300 1 0 GKAFRO c1sc2nc(C3CC[NH2+]CC3)c(NCc3ccccc3)n2c1-c1ccccc1 ZINC000095569712 211279269 /nfs/dbraw/zinc/27/92/69/211279269.db2.gz HMDOVQUDMISDEJ-UHFFFAOYSA-N 1 0 388.540 5.142 3 0 GKAFRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000084756984 211173832 /nfs/dbraw/zinc/17/38/32/211173832.db2.gz NHFBFWCVJQVPBA-HSZRJFAPSA-N 1 0 390.914 5.011 1 0 GKAFRO FC(F)(F)c1ccc(-c2cccc3c2[C@H]2C[C@@H]3CC[N@@H+]2Cc2ccccc2)cc1 ZINC000061942435 210932196 /nfs/dbraw/zinc/93/21/96/210932196.db2.gz UTKMIHZDRVPDOW-WMZHIEFXSA-N 1 0 393.452 6.807 1 0 GKAFRO C[NH+](C)CC[C@H](OC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000013684785 206990379 /nfs/dbraw/zinc/99/03/79/206990379.db2.gz GXQJQNWMBOMTME-NRFANRHFSA-N 1 0 382.891 5.735 1 0 GKAFRO CC(C)Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000013743286 206997738 /nfs/dbraw/zinc/99/77/38/206997738.db2.gz DNZVAPMJTVJNQJ-IBGZPJMESA-N 1 0 393.358 5.021 1 0 GKAFRO Cc1ccc(-c2cn3c(n2)nc(C)c(C[NH3+])c3-c2ccc(Cl)cc2Cl)cc1 ZINC000035907519 210699726 /nfs/dbraw/zinc/69/97/26/210699726.db2.gz ZHSHMJCWINSXOU-UHFFFAOYSA-N 1 0 397.309 5.446 1 0 GKAFRO Fc1ccc([C@@H]2C[C@H](N3CC[N@@H+]4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937945 207265726 /nfs/dbraw/zinc/26/57/26/207265726.db2.gz GKDSUAQEAHBUGZ-NWSQWKLXSA-N 1 0 384.926 5.226 1 0 GKAFRO [NH3+][C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCN1C(c1ccccc1)c1ccccc1 ZINC000022941546 207267648 /nfs/dbraw/zinc/26/76/48/207267648.db2.gz GAEAFMJGLPCGOT-FGZHOGPDSA-N 1 0 396.456 5.569 1 0 GKAFRO CN(C(=O)Cc1cccc2sccc21)[C@@H]1CCCC[C@H]1[NH+]1CCCCCC1 ZINC000027983928 207334025 /nfs/dbraw/zinc/33/40/25/207334025.db2.gz KDMKJISVOZNWDJ-NHCUHLMSSA-N 1 0 384.589 5.089 1 0 GKAFRO Cc1cc(C)c2nc(Oc3ccc(Cl)cc3)cc([C@@H](O)[C@H]3CCCC[NH2+]3)c2c1 ZINC000027523330 207326350 /nfs/dbraw/zinc/32/63/50/207326350.db2.gz PUUHUYLTNYRKFR-NFBKMPQASA-N 1 0 396.918 5.473 1 0 GKAFRO O=C1[C@@H](c2ccc(Cl)cc2)CC=CCN1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028394737 207340628 /nfs/dbraw/zinc/34/06/28/207340628.db2.gz UGUJJTMJDKJLOK-PKTZIBPZSA-N 1 0 394.946 5.049 1 0 GKAFRO O=C1[C@H](c2ccc(Cl)cc2)CC=CCN1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028394742 207341495 /nfs/dbraw/zinc/34/14/95/207341495.db2.gz UGUJJTMJDKJLOK-XZOQPEGZSA-N 1 0 394.946 5.049 1 0 GKAFRO CN[C@@H](c1ccc(Cl)cc1Cl)[C@@H]([NH2+]C)c1ccc(Cl)cc1Cl ZINC000028764682 207348294 /nfs/dbraw/zinc/34/82/94/207348294.db2.gz KSUVNLLGTJINHT-HOTGVXAUSA-N 1 0 378.130 5.521 1 0 GKAFRO Fc1ccccc1-[n+]1nc(-c2ccc(-c3ccccc3)cc2)nn1-c1ccccc1 ZINC000029130786 207354815 /nfs/dbraw/zinc/35/48/15/207354815.db2.gz QGCQHCKVKHHWIM-UHFFFAOYSA-N 1 0 393.445 5.017 1 0 GKAFRO CC(C)[NH2+]CCCOc1ccc(-c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3C)cc2)cc1 ZINC000028760431 207348108 /nfs/dbraw/zinc/34/81/08/207348108.db2.gz YZLRCAHWLPEQFF-PMACEKPBSA-N 1 0 394.559 5.134 1 0 GKAFRO C[C@H]1[C@H]2Cc3ccc(SC(=O)c4ccc(Cl)cc4)cc3[C@]1(C)CC[N@@H+]2C ZINC000029401193 207362207 /nfs/dbraw/zinc/36/22/07/207362207.db2.gz VAYLTGFJFJPGOS-UPNLOYSTSA-N 1 0 385.960 5.427 1 0 GKAFRO CCCCn1cc[n+]2c1[C@@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000029487751 207363444 /nfs/dbraw/zinc/36/34/44/207363444.db2.gz VQANMMBLMNMKSH-PKTZIBPZSA-N 1 0 385.487 5.186 1 0 GKAFRO O[C@H](C[NH+]1CCCCC1)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000031538856 207382440 /nfs/dbraw/zinc/38/24/40/207382440.db2.gz SWRXSZYKZIPRNK-HHHXNRCGSA-N 1 0 381.519 5.775 1 0 GKAFRO CC(C)CC[NH+]1CCC(Oc2ccc(NC(=O)c3ccco3)cc2Cl)CC1 ZINC000045187566 207650328 /nfs/dbraw/zinc/65/03/28/207650328.db2.gz HEFVLRNBAZYMGC-UHFFFAOYSA-N 1 0 390.911 5.075 1 0 GKAFRO Fc1ccc(SCCC[N@@H+]2CCCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000082155610 208082298 /nfs/dbraw/zinc/08/22/98/208082298.db2.gz PXQSRAWVKJTJBP-UHFFFAOYSA-N 1 0 378.944 5.174 1 0 GKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccccc1F ZINC000082151004 208083227 /nfs/dbraw/zinc/08/32/27/208083227.db2.gz WPKXVUVSLAOMDU-HNNXBMFYSA-N 1 0 383.467 5.023 1 0 GKAFRO FC[C@@H](Cc1ccccc1Cl)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000084742361 208097486 /nfs/dbraw/zinc/09/74/86/208097486.db2.gz XKABXUBHCYDIDT-MRXNPFEDSA-N 1 0 393.955 5.094 1 0 GKAFRO Oc1ccc(/C=C2\C=C(CC[NH+]3CCOCC3)c3ccccc32)c2ccccc12 ZINC000027299237 210512356 /nfs/dbraw/zinc/51/23/56/210512356.db2.gz CMGOOAKFVKYGON-HEHNFIMWSA-N 1 0 383.491 5.205 1 0 GKAFRO COc1cc2cc(-c3cccc(-c4ccccc4)c3)[n+](C)c(N(C)C)c2cc1OC ZINC000095561074 208232134 /nfs/dbraw/zinc/23/21/34/208232134.db2.gz GYECQTZCMHHPQO-UHFFFAOYSA-N 1 0 399.514 5.082 1 0 GKAFRO C[C@H](O)CNc1cc(-n2c3ccccc3nc2-c2ccc3ccccc3c2)cc[nH+]1 ZINC000095592497 208236037 /nfs/dbraw/zinc/23/60/37/208236037.db2.gz VLBRXKUTMFGCOE-KRWDZBQOSA-N 1 0 394.478 5.033 1 0 GKAFRO C[NH+](C)CCO[C@@]1(Cc2ccc(Cl)cc2Cl)CC[C@@H](C(C)(C)C)CC1 ZINC000102949009 208412889 /nfs/dbraw/zinc/41/28/89/208412889.db2.gz HHBOSDSCCNGTKS-CYWCHRQTSA-N 1 0 386.407 6.089 1 0 GKAFRO CC(C)(C)c1ccc(OCCCn2c3ccc(F)cc3c3c2CC[NH2+]C3)cc1 ZINC000169350520 208732302 /nfs/dbraw/zinc/73/23/02/208732302.db2.gz RRBVDGIMIDIUTG-UHFFFAOYSA-N 1 0 380.507 5.193 1 0 GKAFRO CCc1c(C)sc2c1CC[N@H+](Cc1cccc(OC)c1)[C@H]2c1ccccc1 ZINC000008609026 221046535 /nfs/dbraw/zinc/04/65/35/221046535.db2.gz MQQNMCCYUAIQJJ-QHCPKHFHSA-N 1 0 377.553 5.775 1 0 GKAFRO Cc1cc(C)cc(NC(=O)[C@H]2CC23CC[NH+](Cc2ccc4ncccc4c2)CC3)c1 ZINC000011966230 221140419 /nfs/dbraw/zinc/14/04/19/221140419.db2.gz XOGQEYBQSIHPCN-HSZRJFAPSA-N 1 0 399.538 5.092 1 0 GKAFRO CC(C)[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013152588 221262942 /nfs/dbraw/zinc/26/29/42/221262942.db2.gz XANBEVHQLOSTKB-FPCALVHFSA-N 1 0 385.551 5.965 1 0 GKAFRO c1ccc(CO[C@@H]2Cc3ccccc3C3(CC[NH+](Cc4ccccc4)CC3)O2)cc1 ZINC000013472057 221268860 /nfs/dbraw/zinc/26/88/60/221268860.db2.gz ZAHBMJFXABWXDO-SANMLTNESA-N 1 0 399.534 5.294 1 0 GKAFRO CC[C@H](COC)N1CCc2cn(-c3c(C)cc(Cl)cc3C)c3[nH+]c(C)cc1c23 ZINC000013645779 221279084 /nfs/dbraw/zinc/27/90/84/221279084.db2.gz UFBHNIOBWFUORC-LJQANCHMSA-N 1 0 397.950 5.392 1 0 GKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1cc(-c2ccc(F)cc2)no1 ZINC000013532722 221272221 /nfs/dbraw/zinc/27/22/21/221272221.db2.gz FVADGMQMXZXNNA-KPYOPSEVSA-N 1 0 396.893 5.868 1 0 GKAFRO Cc1c(C(=O)c2cccc3ccccc32)c2ccccc2n1C[C@@H]1CCC[N@H+]1C ZINC000013781967 221289623 /nfs/dbraw/zinc/28/96/23/221289623.db2.gz WQJDFALYGBYOOO-FQEVSTJZSA-N 1 0 382.507 5.428 1 0 GKAFRO Cc1c(C(=O)c2cccc3ccccc32)c2ccccc2n1C[C@@H]1CCCC[N@H+]1C ZINC000013781969 221289781 /nfs/dbraw/zinc/28/97/81/221289781.db2.gz AGQTZVREGWVYIE-NRFANRHFSA-N 1 0 396.534 5.818 1 0 GKAFRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000013684832 221281051 /nfs/dbraw/zinc/28/10/51/221281051.db2.gz DCVUYDAQCNKKHX-QGZVFWFLSA-N 1 0 399.844 5.173 1 0 GKAFRO O=C1c2ccccc2CC[C@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000013734300 221285621 /nfs/dbraw/zinc/28/56/21/221285621.db2.gz SKCXLYQNMIOSKI-NRFANRHFSA-N 1 0 387.445 5.363 1 0 GKAFRO O=C(O[C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000013744564 221286550 /nfs/dbraw/zinc/28/65/50/221286550.db2.gz JMCHMBYLNMYYFC-UIOOFZCWSA-N 1 0 397.518 5.138 1 0 GKAFRO COc1cccc2c1CCC[C@@H]2CCC[NH2+]CC[C@@H]1CCCc2ccccc21 ZINC000013745375 221286753 /nfs/dbraw/zinc/28/67/53/221286753.db2.gz XZHVVPSJMFRQCB-YADHBBJMSA-N 1 0 377.572 5.995 1 0 GKAFRO C[N@H+](Cc1ccccc1)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000013835803 221292299 /nfs/dbraw/zinc/29/22/99/221292299.db2.gz UDCVQVNMMCKETF-REWPJTCUSA-N 1 0 382.334 6.702 1 0 GKAFRO CC1(C)CC(/N=c2/cc(-c3ccccc3)oc3ccc(Cl)cc32)CC(C)(C)[NH2+]1 ZINC000015962230 221353854 /nfs/dbraw/zinc/35/38/54/221353854.db2.gz KMGDKZROVQMFQA-QOMWVZHYSA-N 1 0 394.946 5.963 1 0 GKAFRO COc1ccccc1N1CC[NH+](Cc2ccccc2-c2cccc(Cl)c2)CC1 ZINC000096910027 136187634 /nfs/dbraw/zinc/18/76/34/136187634.db2.gz UMPAWFUFHCAFHK-UHFFFAOYSA-N 1 0 392.930 5.338 1 0 GKAFRO COc1ccccc1N1CC[NH+](Cc2ccccc2-c2ccc(Cl)cc2)CC1 ZINC000096910028 136187846 /nfs/dbraw/zinc/18/78/46/136187846.db2.gz GYGVBIKGQIFGLL-UHFFFAOYSA-N 1 0 392.930 5.338 1 0 GKAFRO Cc1ccccc1-n1cc(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000103266306 136191106 /nfs/dbraw/zinc/19/11/06/136191106.db2.gz UCNAQTHFQDWSQZ-UHFFFAOYSA-N 1 0 381.523 5.261 1 0 GKAFRO CCCCCOc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000045187994 221959263 /nfs/dbraw/zinc/95/92/63/221959263.db2.gz BYNLFWCJDSQHHJ-VGSWGCGISA-N 1 0 375.940 5.163 1 0 GKAFRO CCN(CC)c1cc2[nH+]c(C3CCCCC3)[nH]c2cc1NC(=O)c1ccccc1 ZINC000066112747 222137180 /nfs/dbraw/zinc/13/71/80/222137180.db2.gz NCGWFLVWRSAZPK-UHFFFAOYSA-N 1 0 390.531 5.709 1 0 GKAFRO CC(C)(C)c1ccc(-c2nc(CN[C@H]3CC[N@H+](Cc4ccccc4)C3)co2)cc1 ZINC000072101066 222205524 /nfs/dbraw/zinc/20/55/24/222205524.db2.gz XPWGBNJHZFIPQL-QFIPXVFZSA-N 1 0 389.543 5.003 1 0 GKAFRO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(C)c1 ZINC000072118856 222206779 /nfs/dbraw/zinc/20/67/79/222206779.db2.gz WENWQNDVFJOVFQ-YJYMSZOUSA-N 1 0 376.331 5.746 1 0 GKAFRO Cc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CC[C@@H](C[NH+](C)C)C4)cc2)cc1 ZINC000072113059 222207474 /nfs/dbraw/zinc/20/74/74/222207474.db2.gz LZYYQXOPZXIZAG-HXUWFJFHSA-N 1 0 398.550 5.581 1 0 GKAFRO C[NH+](C)C[C@H]1CCc2cc(OC(=O)c3ccc(-c4ccccc4)cc3)ccc2C1 ZINC000072116342 222207741 /nfs/dbraw/zinc/20/77/41/222207741.db2.gz QNKNWRNJWYKTFB-IBGZPJMESA-N 1 0 385.507 5.239 1 0 GKAFRO C[NH+](C)C[C@H]1CCc2cc(NC(=O)c3cccc(-c4ccccc4)c3)ccc2C1 ZINC000072113502 222207889 /nfs/dbraw/zinc/20/78/89/222207889.db2.gz BEKROZBVVTZESC-IBGZPJMESA-N 1 0 384.523 5.272 1 0 GKAFRO C[C@H](NC(=O)[C@@H]([NH3+])[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000073222520 222268440 /nfs/dbraw/zinc/26/84/40/222268440.db2.gz RNVXFOXQUPCBCD-QQMNAOGKSA-N 1 0 392.930 5.315 1 0 GKAFRO COc1ccc2nc(NCCC[NH2+]Cc3ccc(Cl)c(Cl)c3)sc2c1 ZINC000084632477 222317459 /nfs/dbraw/zinc/31/74/59/222317459.db2.gz DPMFBFHUGLUSEX-UHFFFAOYSA-N 1 0 396.343 5.204 1 0 GKAFRO O=C1Cc2c(-c3ccccc3)csc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000095601090 222357756 /nfs/dbraw/zinc/35/77/56/222357756.db2.gz CJZASKDQLIDKFO-UHFFFAOYSA-N 1 0 389.520 5.006 1 0 GKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H]([N@H+]3[C@H](C)COC[C@@H]3C)CC[C@]12C ZINC000095589534 222358071 /nfs/dbraw/zinc/35/80/71/222358071.db2.gz SVKYGVDORTVLKD-RSQOWLEJSA-N 1 0 393.656 5.504 1 0 GKAFRO C[C@H]([NH2+]CC[C@@]1(c2ccc(F)cc2)CCOC2(CCCC2)C1)c1ccccc1 ZINC000096940339 222432366 /nfs/dbraw/zinc/43/23/66/222432366.db2.gz XCESYEVAPKMFLS-GBXCKJPGSA-N 1 0 381.535 5.928 1 0 GKAFRO CCC[NH+](CCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc21 ZINC000169336910 222534877 /nfs/dbraw/zinc/53/48/77/222534877.db2.gz BODKDGFOBSJVFV-LJQANCHMSA-N 1 0 395.490 6.229 1 0 GKAFRO CCCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@@H+]1CC1CC1 ZINC000071329469 517589574 /nfs/dbraw/zinc/58/95/74/517589574.db2.gz MFIHHVASXXTULF-SNYIIPAISA-N 1 0 395.616 5.587 1 0 GKAFRO CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](OC(C)=O)[C@@H](C)[N@H+]1C ZINC000141000565 560045204 /nfs/dbraw/zinc/04/52/04/560045204.db2.gz GWUVVBGBGHVMSR-AKIFATBCSA-N 1 0 381.601 5.671 1 0 biogenic,in-vitro GKAFRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CCCC[NH2+]2 ZINC000033373356 570526276 /nfs/dbraw/zinc/52/62/76/570526276.db2.gz XLEXHBYBNQVBTB-KXLVJAMHSA-N 1 0 399.619 5.041 2 0 GKAFRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CCCC[NH2+]2 ZINC000033373355 570526351 /nfs/dbraw/zinc/52/63/51/570526351.db2.gz XLEXHBYBNQVBTB-WKYNNBDQSA-N 1 0 399.619 5.041 2 0 GKAFRO CC[C@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(c1nc(-c3ccccc3)cs1)[NH2+]2 ZINC000005274988 570661064 /nfs/dbraw/zinc/66/10/64/570661064.db2.gz LAORYDCCCIFVJH-WPKBUWHJSA-N 1 0 395.450 5.063 2 0 GKAFRO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118936893 571845514 /nfs/dbraw/zinc/84/55/14/571845514.db2.gz JALVTHFTYRPDMB-MQNJFURXSA-N 1 0 399.663 5.735 1 0 endogenous,in-man GKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3c(cccc3C)n2)cc1 ZINC000013819543 210092730 /nfs/dbraw/zinc/09/27/30/210092730.db2.gz GMLNZJOXNMNDDS-UHFFFAOYSA-N 1 0 393.575 5.981 1 0 GKAFRO Clc1ccc(OCc2nc3ccccc3n2CCCC2CC[NH2+]CC2)cc1 ZINC000013780291 210090846 /nfs/dbraw/zinc/09/08/46/210090846.db2.gz STOCCRAFAIUTRW-UHFFFAOYSA-N 1 0 383.923 5.049 1 0 GKAFRO C[NH+](C)CC[C@@H](OC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000013684781 210080359 /nfs/dbraw/zinc/08/03/59/210080359.db2.gz GXQJQNWMBOMTME-OAQYLSRUSA-N 1 0 382.891 5.735 1 0 GKAFRO C[NH+](C)CC[C@H](OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000013684610 210080058 /nfs/dbraw/zinc/08/00/58/210080058.db2.gz QDWASEMMZUZNEA-QHCPKHFHSA-N 1 0 393.914 5.857 1 0 GKAFRO C[N@@H+]1CCCC[C@H]1Cn1cc(C(=O)c2ccc(O)c3ccccc23)c2ccccc21 ZINC000013672810 210077444 /nfs/dbraw/zinc/07/74/44/210077444.db2.gz ADSQNNVUKDSCQJ-SFHVURJKSA-N 1 0 398.506 5.215 1 0 GKAFRO CCCN(CCC)c1cc(C)[nH+]c2c1ccc(OC)c2-c1ccc(Cl)cc1 ZINC000013553474 210067487 /nfs/dbraw/zinc/06/74/87/210067487.db2.gz SIIOIQCKIFYUAT-UHFFFAOYSA-N 1 0 382.935 6.499 1 0 GKAFRO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(-c4ccc(F)cc4)no2)[N@@H+]3C)cc1 ZINC000013532726 210064148 /nfs/dbraw/zinc/06/41/48/210064148.db2.gz HDJDHOXJDMHXTD-IKJKNFHUSA-N 1 0 376.475 5.523 1 0 GKAFRO COc1ccc(N=C(C)Cc2scc(-c3ccccc3)[n+]2-c2ccccc2)cc1 ZINC000005060811 209564650 /nfs/dbraw/zinc/56/46/50/209564650.db2.gz GZSUOVWERIQSOD-UHFFFAOYSA-O 1 0 399.539 6.173 3 0 GKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3ccccc3n2)cc1 ZINC000001533184 212248994 /nfs/dbraw/zinc/24/89/94/212248994.db2.gz YEDJKZWDUOMBAS-UHFFFAOYSA-N 1 0 379.548 5.672 1 0 GKAFRO c1[nH]nc(-c2cc3ccccc3o2)c1C[N@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000011663350 204348859 /nfs/dbraw/zinc/34/88/59/204348859.db2.gz KKHNJYVBFZCNCA-OAQYLSRUSA-N 1 0 386.499 5.205 3 0 GKAFRO CCCCC/C=C(\c1ccc(O)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000013605645 204498561 /nfs/dbraw/zinc/49/85/61/204498561.db2.gz LCKORWQFYKRVRT-ZNLRHDTNSA-N 1 0 379.544 5.879 1 0 GKAFRO Fc1ccc(C2(c3ccc(F)cc3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)cc1 ZINC000026580166 204847127 /nfs/dbraw/zinc/84/71/27/204847127.db2.gz AQIYWMSXJMPZNJ-FTJBHMTQSA-N 1 0 396.460 5.677 1 0 GKAFRO Oc1cccc(C[C@H](c2ccccc2)N2CC[NH+](C3CCCCCCC3)CC2)c1 ZINC000039233828 205040287 /nfs/dbraw/zinc/04/02/87/205040287.db2.gz JWQCHVHEFDIRSN-AREMUKBSSA-N 1 0 392.587 5.407 1 0 GKAFRO Clc1ccc(CC[N@H+](CC2CC2)[C@@H]2CCCC[C@@H]2N2CCCC2)cc1Cl ZINC000038349235 205035327 /nfs/dbraw/zinc/03/53/27/205035327.db2.gz KUFHVKLXHYGCLV-FCHUYYIVSA-N 1 0 395.418 5.655 1 0 GKAFRO CC(C)SCc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000045191378 205092277 /nfs/dbraw/zinc/09/22/77/205092277.db2.gz OPXSUFNBPLRTIP-HRAATJIYSA-N 1 0 377.981 5.236 1 0 GKAFRO CCCCCOc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000045188000 205092856 /nfs/dbraw/zinc/09/28/56/205092856.db2.gz BYNLFWCJDSQHHJ-VGOFRKELSA-N 1 0 375.940 5.163 1 0 GKAFRO c1ccc2[nH]c(-c3cccc(-c4cccc(C[NH2+]C[C@@H]5CCCO5)c4)c3)nc2c1 ZINC000045168144 205092883 /nfs/dbraw/zinc/09/28/83/205092883.db2.gz WTNWMJFVZQWIRY-QFIPXVFZSA-N 1 0 383.495 5.166 1 0 GKAFRO CC1(C)C[N@@H+]2CCC[C@H]2c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc21 ZINC000045191291 205093332 /nfs/dbraw/zinc/09/33/32/205093332.db2.gz OPTFAFIWYJEQIA-ZRFOIIEFSA-N 1 0 380.919 5.420 1 0 GKAFRO COc1cccc2c1CCC[C@H]2CCC[NH+]1CCC(O)(C2CCCCC2)CC1 ZINC000045285565 205094066 /nfs/dbraw/zinc/09/40/66/205094066.db2.gz SRQQSSMLBDVMEK-FQEVSTJZSA-N 1 0 385.592 5.303 1 0 GKAFRO COc1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1C[NH2+]C(C)C ZINC000045230777 205094206 /nfs/dbraw/zinc/09/42/06/205094206.db2.gz JXAPMZOJLJYCDD-UHFFFAOYSA-N 1 0 392.474 5.252 1 0 GKAFRO O=C(Nc1cccc(CC[NH2+]Cc2ccccc2)c1)Nc1cccc2ccccc21 ZINC000045229706 205094519 /nfs/dbraw/zinc/09/45/19/205094519.db2.gz WBJPSOZZKPJYFI-UHFFFAOYSA-N 1 0 395.506 5.816 1 0 GKAFRO C[NH+](C)CC[C@]1(c2ccc(Cl)cc2)Cc2ccc3ccccc3c2C(=O)O1 ZINC000053243784 205135727 /nfs/dbraw/zinc/13/57/27/205135727.db2.gz XDTZOWPMJHCSTM-HSZRJFAPSA-N 1 0 379.887 5.053 1 0 GKAFRO C[C@@]1(Oc2ccc3ccccc3c2)CC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000061895511 205182881 /nfs/dbraw/zinc/18/28/81/205182881.db2.gz TZQTUXQSTKZCFL-HSZRJFAPSA-N 1 0 389.524 5.130 3 0 GKAFRO c1ccc(-c2sc3ccccc3c2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000061947952 205183852 /nfs/dbraw/zinc/18/38/52/205183852.db2.gz ZLJCFEHKTHXYOP-UHFFFAOYSA-N 1 0 399.559 6.710 3 0 GKAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(Oc3ccc(C)cc3)cc2)n1 ZINC000072182414 205317917 /nfs/dbraw/zinc/31/79/17/205317917.db2.gz QTYMZQSKUJYHPY-IBGZPJMESA-N 1 0 378.516 6.501 1 0 GKAFRO C[NH2+]Cc1ccccc1-c1ccc2c(cccc2-c2ccc(C(C)(C)C)cc2)c1 ZINC000095604466 205502443 /nfs/dbraw/zinc/50/24/43/205502443.db2.gz ZWXVWQVFZYXDBY-UHFFFAOYSA-N 1 0 379.547 7.191 1 0 GKAFRO COc1cccc([C@H]2C[NH2+][C@]3(CCC[C@@H](C)C3)c3[nH]c4ccccc4c32)c1OC ZINC000013145655 211697487 /nfs/dbraw/zinc/69/74/87/211697487.db2.gz XPSNBHFIESOOFX-JIZVJVNCSA-N 1 0 390.527 5.326 1 0 GKAFRO CC[NH+](CC)C[C@H](O)c1cc2ccc(Cl)cc2nc1-c1ccc(Cl)cc1 ZINC000169337313 211635430 /nfs/dbraw/zinc/63/54/30/211635430.db2.gz SQTHEMGOIZZABB-FQEVSTJZSA-N 1 0 389.326 5.584 1 0 GKAFRO COc1ccc(CCC2=[NH+]CCN2[C@H](CC(C)C)c2nc3ccccc3[nH]2)cc1 ZINC000095567116 211277996 /nfs/dbraw/zinc/27/79/96/211277996.db2.gz RGYMQUGRFXETGD-JOCHJYFZSA-N 1 0 390.531 5.006 3 0 GKAFRO FC[C@H](Cc1ccccc1Cl)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000084742363 211174211 /nfs/dbraw/zinc/17/42/11/211174211.db2.gz XKABXUBHCYDIDT-INIZCTEOSA-N 1 0 393.955 5.094 1 0 GKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccc(Cl)cc1 ZINC000082152209 211163751 /nfs/dbraw/zinc/16/37/51/211163751.db2.gz LLWDAJZZTBLYPU-HNNXBMFYSA-N 1 0 399.922 5.537 1 0 GKAFRO CC(C)[NH+](CCOc1ccc(Cc2c(O)ccc3ccccc32)cc1)C(C)C ZINC000072178982 211082177 /nfs/dbraw/zinc/08/21/77/211082177.db2.gz QIQQNKQJSYENOT-UHFFFAOYSA-N 1 0 377.528 5.634 1 0 GKAFRO CC(C)[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1 ZINC000072117093 211069309 /nfs/dbraw/zinc/06/93/09/211069309.db2.gz PJYVFIRUZPXKAS-KRWDZBQOSA-N 1 0 381.829 5.413 1 0 GKAFRO CCC[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)cc1 ZINC000072118846 211069089 /nfs/dbraw/zinc/06/90/89/211069089.db2.gz GSWZVDQURBSHIM-HNNXBMFYSA-N 1 0 381.829 5.557 1 0 GKAFRO CCCC[C@H]1Cc2cc(OC)ccc2-c2c(C[NH2+]C)c3ccc(OC)cc3n21 ZINC000013606395 206984408 /nfs/dbraw/zinc/98/44/08/206984408.db2.gz ZSQJPBKGUGOJJK-KRWDZBQOSA-N 1 0 378.516 5.332 1 0 GKAFRO Cn1c2ccccc2c2c1C[C@@H]1CC[C@H]2[N@H+]1CCCC(=O)c1ccc(F)cc1 ZINC000013827334 207000849 /nfs/dbraw/zinc/00/08/49/207000849.db2.gz NMLUMLDZLGGLOV-GHTZIAJQSA-N 1 0 376.475 5.042 1 0 GKAFRO O=C1c2ccccc2CC[C@@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000013734303 206997102 /nfs/dbraw/zinc/99/71/02/206997102.db2.gz SKCXLYQNMIOSKI-OAQYLSRUSA-N 1 0 387.445 5.363 1 0 GKAFRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC1=C2C=CC=C[C@H]2Sc2ccccc21 ZINC000045393155 210824994 /nfs/dbraw/zinc/82/49/94/210824994.db2.gz SHPQJAIWQPNBND-GAJHUEQPSA-N 1 0 393.983 6.305 1 0 GKAFRO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(F)cc4)s2)[N@@H+]3C)cc1 ZINC000014978609 207037694 /nfs/dbraw/zinc/03/76/94/207037694.db2.gz IWJUZLMNKAYNPQ-GNXKAVGDSA-N 1 0 392.543 5.992 1 0 GKAFRO CN(C)c1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1 ZINC000015936228 207067313 /nfs/dbraw/zinc/06/73/13/207067313.db2.gz VUTNIMIMFLELLA-UHFFFAOYSA-N 1 0 391.495 5.036 3 0 GKAFRO CC[C@]12CCC[N@H+](Cc3ccccc3)[C@@H]1c1c3ccccc3n(C)c1[C@@H](CO)C2 ZINC000017215817 207088265 /nfs/dbraw/zinc/08/82/65/207088265.db2.gz DFSFUXVZVGGWRV-LIKDZFNVSA-N 1 0 388.555 5.391 1 0 GKAFRO C[C@@]([NH3+])(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000026660751 207318289 /nfs/dbraw/zinc/31/82/89/207318289.db2.gz UOKDYNBXNQDFQD-MRXNPFEDSA-N 1 0 377.328 5.115 1 0 GKAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2ccccc2)[N@@H+]3CCc2ccccc2)cc1 ZINC000026994089 207322564 /nfs/dbraw/zinc/32/25/64/207322564.db2.gz VRZKLUWXHSBNPD-WXIAYYLYSA-N 1 0 381.563 6.342 1 0 GKAFRO CCCCCN[C@@H](c1ccc(O)cc1)[C@@H]([NH2+]CCCCC)c1ccc(O)cc1 ZINC000027898210 207332534 /nfs/dbraw/zinc/33/25/34/207332534.db2.gz JIYQXVYONOXOKH-ZEQRLZLVSA-N 1 0 384.564 5.440 1 0 GKAFRO C[C@H]1[C@@H]2Cc3ccc(NCc4ccc(Cl)cc4)cc3[C@@]1(C)CC[N@@H+]2CC1CC1 ZINC000027979147 207333043 /nfs/dbraw/zinc/33/30/43/207333043.db2.gz JIFZQSNBCYYAEQ-HDBFHEOPSA-N 1 0 394.990 5.886 1 0 GKAFRO Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc([C@@H](O)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000027523389 207325807 /nfs/dbraw/zinc/32/58/07/207325807.db2.gz RLRCTKMUNKCJGK-NZQKXSOJSA-N 1 0 380.919 5.348 1 0 GKAFRO CNc1cc(C)[nH+]c2ccc(NC(=O)c3ccccc3COc3ccccc3)cc12 ZINC000027523503 207326211 /nfs/dbraw/zinc/32/62/11/207326211.db2.gz FCRBAZGTQXJKHD-UHFFFAOYSA-N 1 0 397.478 5.416 1 0 GKAFRO O[C@H](c1cc(-c2ccccc2)nc2c1cccc2C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000027524189 207326330 /nfs/dbraw/zinc/32/63/30/207326330.db2.gz ORUFAEQGRVYQMI-WIYYLYMNSA-N 1 0 386.417 5.096 1 0 GKAFRO Clc1ccc(OCc2sc3ccccc3c2CCC[NH+]2CCCCC2)cc1 ZINC000027547707 207327689 /nfs/dbraw/zinc/32/76/89/207327689.db2.gz RRAPWZWBXONTGN-UHFFFAOYSA-N 1 0 399.987 6.552 1 0 GKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCc2ccc(O)cc2)c1 ZINC000027561043 207327770 /nfs/dbraw/zinc/32/77/70/207327770.db2.gz WFVKYVOMJUPVIA-UHFFFAOYSA-N 1 0 384.523 5.532 1 0 GKAFRO Fc1ccc2c(c1)[C@H](SCC[NH2+]CCc1ccccc1)Cc1ccccc1O2 ZINC000027557285 207327884 /nfs/dbraw/zinc/32/78/84/207327884.db2.gz DXDONLBOUQVNOA-XMMPIXPASA-N 1 0 393.527 5.781 1 0 GKAFRO COc1ccc2nc(N[C@H]3CCC[C@H]([NH2+]Cc4ccsc4)C3)cc(C)c2c1 ZINC000028950852 207351455 /nfs/dbraw/zinc/35/14/55/207351455.db2.gz FELFFDCWHKHTBL-ROUUACIJSA-N 1 0 381.545 5.126 1 0 GKAFRO CCC[NH+](CCC)[C@H]1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000029338395 207361061 /nfs/dbraw/zinc/36/10/61/207361061.db2.gz OSFSWZUCOBPVDJ-LJQANCHMSA-N 1 0 377.450 5.798 1 0 GKAFRO C[C@@H](C[N@@H+]1CCCC[C@@H]1C1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000029410753 207363404 /nfs/dbraw/zinc/36/34/04/207363404.db2.gz LPAUBGYFXKGKGY-HFZDXXHNSA-N 1 0 389.583 6.456 1 0 GKAFRO Cc1cc(C)cc(COC[C@H]([NH2+]C(C)C)C(c2ccccc2)c2ccccc2)c1 ZINC000029552005 207364829 /nfs/dbraw/zinc/36/48/29/207364829.db2.gz GNUKWKXSQWUHHO-SANMLTNESA-N 1 0 387.567 6.019 1 0 GKAFRO O[C@](c1ccccc1)(c1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000035246376 207484713 /nfs/dbraw/zinc/48/47/13/207484713.db2.gz JABFZQNVUHZJNX-DEOSSOPVSA-N 1 0 377.915 5.220 1 0 GKAFRO CC(C)[NH+](CCOc1ccc(COc2ccc([C@@H](O)C3CC3)cc2)cc1)C(C)C ZINC000066258854 207880569 /nfs/dbraw/zinc/88/05/69/207880569.db2.gz NHTHTFWOVUTWLQ-VWLOTQADSA-N 1 0 397.559 5.207 1 0 GKAFRO C/C(=C\C[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000073157984 208033147 /nfs/dbraw/zinc/03/31/47/208033147.db2.gz OXAQSGYTCCUCOU-XQNSMLJCSA-N 1 0 381.563 6.712 1 0 GKAFRO CC(=O)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863166 210537227 /nfs/dbraw/zinc/53/72/27/210537227.db2.gz QYSJEPTYGLQFFN-WIPBBCIJSA-N 1 0 389.539 5.134 1 0 GKAFRO Cc1ccc(-c2scc3c2CCOC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095555869 208232311 /nfs/dbraw/zinc/23/23/11/208232311.db2.gz IVQKXCUJKVPHPA-UHFFFAOYSA-N 1 0 389.564 5.788 1 0 GKAFRO C[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1 ZINC000095584677 208237574 /nfs/dbraw/zinc/23/75/74/208237574.db2.gz PBWACSBTKWIXDQ-UHFFFAOYSA-N 1 0 385.486 5.641 1 0 GKAFRO Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N[C@H]3CC[C@@H]([NH3+])CC3)c2c1 ZINC000100413755 208375868 /nfs/dbraw/zinc/37/58/68/208375868.db2.gz LOMPNXDREJPCDV-XNZOSMRDSA-N 1 0 392.934 5.444 1 0 GKAFRO Cc1scc(C[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)c1-c1ccc(C)cc1 ZINC000013809664 221290348 /nfs/dbraw/zinc/29/03/48/221290348.db2.gz CXEQQSFOSUDTSX-FQEVSTJZSA-N 1 0 390.596 6.051 1 0 GKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3cc(C)ccc3n2)cc1 ZINC000013819541 221290483 /nfs/dbraw/zinc/29/04/83/221290483.db2.gz HMUXEUXSOFSFTD-UHFFFAOYSA-N 1 0 393.575 5.981 1 0 GKAFRO C[NH+](C)CC[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000013684606 221280754 /nfs/dbraw/zinc/28/07/54/221280754.db2.gz QDWASEMMZUZNEA-HSZRJFAPSA-N 1 0 393.914 5.857 1 0 GKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C(=O)Oc1ccc(Cl)cc1 ZINC000013740265 221286600 /nfs/dbraw/zinc/28/66/00/221286600.db2.gz JMGOXADQYRFNLP-NBYUQASBSA-N 1 0 390.310 5.165 1 0 GKAFRO Fc1ccc(CCCC[N@H+]2[C@@H]3CCC[C@H]2Cc2[nH]c4ccc(F)cc4c23)cc1 ZINC000013827332 221290616 /nfs/dbraw/zinc/29/06/16/221290616.db2.gz HFQNYAGAZJZTFL-WMZHIEFXSA-N 1 0 380.482 5.921 1 0 GKAFRO Cc1ccc2c(c1)Sc1cnc3ccccc3c1N2CC[NH+]1CCCCC1 ZINC000098082846 136188855 /nfs/dbraw/zinc/18/88/55/136188855.db2.gz ILTSYHDAMRJNGJ-UHFFFAOYSA-N 1 0 375.541 5.632 1 0 GKAFRO Cc1cc(C)c2nc(Nc3ccc(Cl)cc3)cc([C@@H](O)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000027523442 221652542 /nfs/dbraw/zinc/65/25/42/221652542.db2.gz JJHWPPCEUOZIFP-NZQKXSOJSA-N 1 0 395.934 5.424 1 0 GKAFRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]C1CCN(Cc3ccc(Cl)cc3F)CC1)C2 ZINC000040833751 221931508 /nfs/dbraw/zinc/93/15/08/221931508.db2.gz WFTJNWLBHXDWAN-CNDZOEFASA-N 1 0 378.963 5.248 1 0 GKAFRO CSc1ccc(C[N@@H+]2CC[C@](C)(Oc3cnc(Cl)c4ccccc34)C2)cc1 ZINC000061907971 222062966 /nfs/dbraw/zinc/06/29/66/222062966.db2.gz TXUHDBFNUOEKLU-QFIPXVFZSA-N 1 0 398.959 5.654 3 0 GKAFRO Fc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H]3CC[N@H+]2Cc2ccc3c(c2)OCO3)cc1 ZINC000061942596 222063886 /nfs/dbraw/zinc/06/38/86/222063886.db2.gz KOMJISITPMSOLZ-XXBNENTESA-N 1 0 387.454 5.656 1 0 GKAFRO c1ccc2c(c1)cccc2C[C@@H]1CNCC[N@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC000061948748 222063935 /nfs/dbraw/zinc/06/39/35/222063935.db2.gz HFPZCPNYMSEVKR-KCFSFPSPSA-N 1 0 388.599 5.263 3 0 GKAFRO C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(-c3cccc(F)c3)ccc21 ZINC000062224804 222065343 /nfs/dbraw/zinc/06/53/43/222065343.db2.gz GPRNOKUZUDPQPW-RUZDIDTESA-N 1 0 393.477 5.747 1 0 GKAFRO CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@@H+]1CC1CC1 ZINC000071318086 222180270 /nfs/dbraw/zinc/18/02/70/222180270.db2.gz FRDUPITUKOIMGG-XTQVGHSUSA-N 1 0 381.589 5.197 1 0 GKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000072101531 222205859 /nfs/dbraw/zinc/20/58/59/222205859.db2.gz KWICWJDIHMRXSM-GOSISDBHSA-N 1 0 396.506 6.118 1 0 GKAFRO CCC[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(Cl)c1 ZINC000072118131 222207170 /nfs/dbraw/zinc/20/71/70/222207170.db2.gz XVNLUFLSYHTFNY-HNNXBMFYSA-N 1 0 382.722 5.845 1 0 GKAFRO CC(C)C[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1 ZINC000072118489 222207399 /nfs/dbraw/zinc/20/73/99/222207399.db2.gz MOVBTZHAOZGGJQ-INIZCTEOSA-N 1 0 379.401 5.288 1 0 GKAFRO CCC[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1 ZINC000072118679 222207480 /nfs/dbraw/zinc/20/74/80/222207480.db2.gz YXJKUJKJOSHBPJ-HNNXBMFYSA-N 1 0 381.829 5.557 1 0 GKAFRO CC1=[NH+]c2ccc(Cl)cc2[C@@H](c2ccccc2)N1Cc1cccc(N(C)C)c1 ZINC000072123300 222209257 /nfs/dbraw/zinc/20/92/57/222209257.db2.gz ZMICZHITXCGEPK-XMMPIXPASA-N 1 0 389.930 6.061 1 0 GKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccccc1Cl ZINC000082153599 222309737 /nfs/dbraw/zinc/30/97/37/222309737.db2.gz HWYNDBVJBUGWCS-OAHLLOKOSA-N 1 0 399.922 5.537 1 0 GKAFRO COc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(CC[NH3+])c2cc1OC ZINC000095563735 222356336 /nfs/dbraw/zinc/35/63/36/222356336.db2.gz BJVYPNNQZGVJAV-UHFFFAOYSA-N 1 0 384.479 5.087 1 0 GKAFRO C[N@@H+]1CCCC[C@@H]1CCN1c2ccccc2Sc2cc3ccccc3nc21 ZINC000096905660 536353380 /nfs/dbraw/zinc/35/33/80/536353380.db2.gz CKTUADCTOAJCNC-GOSISDBHSA-N 1 0 375.541 5.712 1 0 GKAFRO CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+]Cc3ccccc3)CCC[C@]21C ZINC000005242779 570432388 /nfs/dbraw/zinc/43/23/88/570432388.db2.gz CBLMOOKPRRHEJH-GMQQYTKMSA-N 1 0 375.600 6.610 2 0 GKAFRO CC[C@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(c1nc(-c3ccccc3)cs1)[NH2+]2 ZINC000005274990 570661007 /nfs/dbraw/zinc/66/10/07/570661007.db2.gz LAORYDCCCIFVJH-WRSAYESZSA-N 1 0 395.450 5.063 2 0 GKAFRO C[C@@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 ZINC000118936892 571845455 /nfs/dbraw/zinc/84/54/55/571845455.db2.gz JALVTHFTYRPDMB-FPOKOSRYSA-N 1 0 399.663 5.735 1 0 endogenous,in-man GKAFRO CCC[N@H+](CCCOc1cccc(Cl)c1)[C@@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741745 581094303 /nfs/dbraw/zinc/09/43/03/581094303.db2.gz INAFJGHXLCGHAU-HXUWFJFHSA-N 1 0 396.962 5.860 1 0 GKAFRO CSc1nc(-c2ccnc(NCc3ccco3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040936143 581098463 /nfs/dbraw/zinc/09/84/63/581098463.db2.gz PSYRSLQDJLAJOM-UHFFFAOYSA-N 1 0 380.448 5.205 1 0 GKAFRO Cc1ccc(CO[C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 ZINC000013781105 210089229 /nfs/dbraw/zinc/08/92/29/210089229.db2.gz MCHFVMZJGMVKRA-NSOVKSMOSA-N 1 0 397.562 5.807 1 0 GKAFRO CC[N@@H+]1CCc2c3ccccc3sc2[C@H](c2cccc(Br)c2)C1 ZINC000013781860 210089267 /nfs/dbraw/zinc/08/92/67/210089267.db2.gz AZJLNNJMUCJPAO-SFHVURJKSA-N 1 0 386.358 5.674 1 0 GKAFRO CC[C@@H](COC)N1CCc2cn(-c3c(C)cc(Cl)cc3C)c3[nH+]c(C)cc1c23 ZINC000013645776 210074578 /nfs/dbraw/zinc/07/45/78/210074578.db2.gz UFBHNIOBWFUORC-IBGZPJMESA-N 1 0 397.950 5.392 1 0 GKAFRO CC[C@@]12CCC[N@@H+]3CC[C@]4(c5cccc(OC)c5N(c5ccccc5)[C@@H]4CC1)[C@H]32 ZINC000069482274 291149043 /nfs/dbraw/zinc/14/90/43/291149043.db2.gz HSUAFHXMLKPHAP-VNSJUHMKSA-N 1 0 388.555 5.512 1 0 biogenic,in-vitro GKAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 ZINC000002003217 212261091 /nfs/dbraw/zinc/26/10/91/212261091.db2.gz DAAKBMHWKLVSKY-YOFSQIOKSA-N 1 0 376.327 5.725 1 0 GKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2ncccc2c1Oc1ccc(Cl)cc1 ZINC000001568047 212144574 /nfs/dbraw/zinc/14/45/74/212144574.db2.gz VWUOQUUYSLHJSU-AWEZNQCLSA-N 1 0 385.895 5.228 1 0 GKAFRO CN(C(=S)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000006010176 204161981 /nfs/dbraw/zinc/16/19/81/204161981.db2.gz ZMSCMFHMSAHZHU-MSOLQXFVSA-N 1 0 385.404 5.202 1 0 GKAFRO CN(C(=O)c1ccccc1Cn1ccc2c[nH+]ccc21)c1ccc(Cl)cc1 ZINC000028572621 204876612 /nfs/dbraw/zinc/87/66/12/204876612.db2.gz KIJNHCRVHXMCGM-UHFFFAOYSA-N 1 0 375.859 5.015 1 0 GKAFRO Fc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CCc2coc3ccc(Cl)cc23)CC1 ZINC000038358929 205035292 /nfs/dbraw/zinc/03/52/92/205035292.db2.gz YYZHENJHTMXRID-UHFFFAOYSA-N 1 0 394.877 6.038 1 0 GKAFRO Brc1cccc2c1N[C@H]1[C@H]2CC[NH2+][C@@H]1Cc1cccc2ccccc21 ZINC000040460486 205066005 /nfs/dbraw/zinc/06/60/05/205066005.db2.gz HRBOWYCAJNJYQJ-DWLFOUALSA-N 1 0 393.328 5.085 1 0 GKAFRO Cc1c(C2CC[NH2+]CC2)ccnc1O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC000040410712 205066139 /nfs/dbraw/zinc/06/61/39/205066139.db2.gz RWANHHYABZAOEH-QGZVFWFLSA-N 1 0 384.829 5.193 1 0 GKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC[C@H]5C[NH3+])c4)cc3)nc21 ZINC000045188635 205093095 /nfs/dbraw/zinc/09/30/95/205093095.db2.gz PPOAXIKBTDFKPJ-QHCPKHFHSA-N 1 0 396.538 5.128 1 0 GKAFRO Fc1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCCCC5)cc4)cc3)nc2c1 ZINC000045303282 205094663 /nfs/dbraw/zinc/09/46/63/205094663.db2.gz OMIPKGYUSWDMBE-UHFFFAOYSA-N 1 0 385.486 6.022 1 0 GKAFRO Cc1ccc(C[N@H+]([C@@H]2CC(=O)c3ccccc32)[C@@H]2CCc3ccccc3C2)cc1 ZINC000045300156 205094860 /nfs/dbraw/zinc/09/48/60/205094860.db2.gz RVQKJSIAXQYDMK-ZEQKJWHPSA-N 1 0 381.519 5.682 1 0 GKAFRO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(Cc4ccc(F)cc4)no2)[N@@H+]3C)cc1 ZINC000045483964 205096941 /nfs/dbraw/zinc/09/69/41/205096941.db2.gz HBNJBAYPISRYRT-KBOSCXGNSA-N 1 0 390.502 5.447 1 0 GKAFRO CC(C)=CCN1c2ccccc2[C@]2(CC=C(C)C)CC[N@@H+](Cc3ccccc3)[C@H]12 ZINC000040835635 205073346 /nfs/dbraw/zinc/07/33/46/205073346.db2.gz GVKOSZJZXMPQQH-SXOMAYOGSA-N 1 0 386.583 6.299 1 0 GKAFRO CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH2+]C1CCN(Cc3ccc(Cl)cc3F)CC1)C2 ZINC000040898329 205074709 /nfs/dbraw/zinc/07/47/09/205074709.db2.gz WFTJNWLBHXDWAN-BUVFEPMLSA-N 1 0 378.963 5.248 1 0 GKAFRO CCCCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)[N@H+](CCC)CC3 ZINC000040916836 205075705 /nfs/dbraw/zinc/07/57/05/205075705.db2.gz IHDFATFMTYOPPY-OAQYLSRUSA-N 1 0 377.528 5.705 1 0 in-vivo GKAFRO CO[C@H]1Cc2sc(-c3ccccc3)cc2C2(CC[NH+](Cc3ccco3)CC2)O1 ZINC000053293954 205134968 /nfs/dbraw/zinc/13/49/68/205134968.db2.gz QETFGEULYNPXIH-JOCHJYFZSA-N 1 0 395.524 5.045 1 0 GKAFRO C[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 ZINC000064539633 205191271 /nfs/dbraw/zinc/19/12/71/205191271.db2.gz WAWSGWZTHJAPIA-UHFFFAOYSA-N 1 0 386.474 5.036 1 0 GKAFRO CCc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cccc(OCc2ccccc2)c1 ZINC000071295002 205281184 /nfs/dbraw/zinc/28/11/84/205281184.db2.gz CRNJQAUGZDUFAS-RUZDIDTESA-N 1 0 382.507 5.544 1 0 GKAFRO CC(C)[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)cc1 ZINC000072116705 205304611 /nfs/dbraw/zinc/30/46/11/205304611.db2.gz DDURJJINBQUDKV-KRWDZBQOSA-N 1 0 381.829 5.413 1 0 GKAFRO CC(C)C[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(F)c1 ZINC000072118442 205304687 /nfs/dbraw/zinc/30/46/87/205304687.db2.gz ANOCGRIZHOBKGU-INIZCTEOSA-N 1 0 380.294 5.576 1 0 GKAFRO Cc1cccc(Cn2c3ccc(C(F)(F)F)cc3nc2[C@@H]([NH3+])CC(C)C)c1 ZINC000072118000 205304905 /nfs/dbraw/zinc/30/49/05/205304905.db2.gz VFGVTYJTGOFCDY-KRWDZBQOSA-N 1 0 375.438 5.458 1 0 GKAFRO Cc1cc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(-c4ccccc4)no2)[N@@H+]3C)ccc1Cl ZINC000072105467 205303683 /nfs/dbraw/zinc/30/36/83/205303683.db2.gz QGJBJCQWBZDANK-WGWURMLHSA-N 1 0 392.930 6.037 1 0 GKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000072100880 205303761 /nfs/dbraw/zinc/30/37/61/205303761.db2.gz POQPFANUCUAMAV-LJQANCHMSA-N 1 0 378.516 5.979 1 0 GKAFRO C[NH+](C)C[C@@H]1CCc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2C1 ZINC000072113403 205305467 /nfs/dbraw/zinc/30/54/67/205305467.db2.gz SHTXMWXRCCYBMW-LJQANCHMSA-N 1 0 384.523 5.272 1 0 GKAFRO Cc1cccc(Cn2c3cc(Cl)c(Cl)cc3nc2[C@@H]([NH3+])CC(C)C)c1 ZINC000072142864 205309034 /nfs/dbraw/zinc/30/90/34/205309034.db2.gz CIGYGXBGGBTWOU-KRWDZBQOSA-N 1 0 376.331 5.746 1 0 GKAFRO Brc1ccccc1-c1nc(C[NH2+]C23CC4CC(CC(C4)C2)C3)co1 ZINC000072179860 205317438 /nfs/dbraw/zinc/31/74/38/205317438.db2.gz GMNRXVJTQQWOIS-UHFFFAOYSA-N 1 0 387.321 5.163 1 0 GKAFRO O=c1cc(CN(c2cc[nH+]cc2)c2cccc(Cl)c2)c2ccc(F)c(F)c2[nH]1 ZINC000073197527 205355154 /nfs/dbraw/zinc/35/51/54/205355154.db2.gz HSXXFRQLNFQLQG-UHFFFAOYSA-N 1 0 397.812 5.193 1 0 GKAFRO Clc1ccc(C[C@H]2Cc3ccccc3[C@@H]2[NH2+]Cc2ccccc2)c(Cl)c1 ZINC000082159672 205389505 /nfs/dbraw/zinc/38/95/05/205389505.db2.gz BQZJSRHWHVIONO-AUSIDOKSSA-N 1 0 382.334 6.239 1 0 GKAFRO [NH3+]CCSC(c1ccccc1)(c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000084603166 205395721 /nfs/dbraw/zinc/39/57/21/205395721.db2.gz GSKAZNHRONBUMO-UHFFFAOYSA-N 1 0 387.470 5.689 1 0 GKAFRO C[N@@H+]1C/C=C\CCn2ccc3ccc(cc32)-c2ccnc(n2)Nc2cccc(c2)C1 ZINC000084705556 205399178 /nfs/dbraw/zinc/39/91/78/205399178.db2.gz POMYHNIMGZPDRA-NSCUHMNNSA-N 1 0 395.510 5.234 1 0 GKAFRO CN(C)C(=O)OC1=C(c2ccccc2)Oc2cc3ccccc3cc2[N+]2=C1CC=C2 ZINC000101364727 205620182 /nfs/dbraw/zinc/62/01/82/205620182.db2.gz YGOOBMLHCJHWMD-UHFFFAOYSA-N 1 0 397.454 5.302 1 0 GKAFRO Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2-c2ccccc2)cc1 ZINC000005416966 206611067 /nfs/dbraw/zinc/61/10/67/206611067.db2.gz WLSZYYJDVSBLTI-UHFFFAOYSA-N 1 0 398.529 7.273 3 0 GKAFRO CC(=O)OC1=C2CC=CN2c2ccccc2[S+]=C1c1cccc2ccccc21 ZINC000101388983 211398325 /nfs/dbraw/zinc/39/83/25/211398325.db2.gz PCIUIESNFHIKFL-UHFFFAOYSA-N 1 0 384.480 5.880 1 0 GKAFRO CC[NH+](CC)Cc1c(C(=O)c2ccc(Cl)cc2)c(N)sc1-c1ccccc1 ZINC000096913296 211351348 /nfs/dbraw/zinc/35/13/48/211351348.db2.gz YZMAGORGJHQDBH-UHFFFAOYSA-N 1 0 398.959 5.724 1 0 GKAFRO c1ccc(CCCn2c3ccccc3c3cc[n+](CCc4ccccc4)cc32)cc1 ZINC000096922750 211350950 /nfs/dbraw/zinc/35/09/50/211350950.db2.gz RZHLIUBHTMSRSW-UHFFFAOYSA-N 1 0 391.538 5.958 1 0 GKAFRO O=C(Nc1ccc(Cl)cc1)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000096922431 211350871 /nfs/dbraw/zinc/35/08/71/211350871.db2.gz ZXMMHDYMQYJAGB-UHFFFAOYSA-N 1 0 387.911 5.239 1 0 GKAFRO CC[NH+](CC)CCCCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000095561492 211277685 /nfs/dbraw/zinc/27/76/85/211277685.db2.gz JNJFENNJJNDBIK-QNGOZBTKSA-N 1 0 398.934 5.334 1 0 GKAFRO CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(C[NH+]3CCCC3)n21 ZINC000095555617 211277193 /nfs/dbraw/zinc/27/71/93/211277193.db2.gz QOHNUUUFZZCPQM-UHFFFAOYSA-N 1 0 377.513 5.211 1 0 GKAFRO CC(C)c1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](C)CC3)cc1C(F)(F)F ZINC000084687345 211174717 /nfs/dbraw/zinc/17/47/17/211174717.db2.gz DVXLSZRNUFWLBU-UHFFFAOYSA-N 1 0 376.422 5.069 1 0 GKAFRO CC(C)CC[NH2+][C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072134970 211073627 /nfs/dbraw/zinc/07/36/27/211073627.db2.gz CCPDDUWURQCKST-COZMUMMGSA-N 1 0 389.668 6.030 1 0 GKAFRO CC1=[NH+]c2ccc(Cl)cc2[C@H](c2ccccc2)N1CCNC(=O)OC(C)(C)C ZINC000072125967 211071895 /nfs/dbraw/zinc/07/18/95/211071895.db2.gz PUYHZXXYOZRDFL-FQEVSTJZSA-N 1 0 399.922 5.320 1 0 GKAFRO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1 ZINC000072118394 211070338 /nfs/dbraw/zinc/07/03/38/211070338.db2.gz YMLOBIGOASIKGN-XIKOKIGWSA-N 1 0 379.401 5.288 1 0 GKAFRO CCOC(=O)c1c(C[NH+](CC)CC)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000072114210 211068996 /nfs/dbraw/zinc/06/89/96/211068996.db2.gz TYLAIYTXWCPBMX-UHFFFAOYSA-N 1 0 396.918 5.574 1 0 GKAFRO c1ccc2c(c1)CCc1ccccc1N2CSC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000071295239 211044640 /nfs/dbraw/zinc/04/46/40/211044640.db2.gz XSOOJIUBTJQKSA-XZOQPEGZSA-N 1 0 392.612 5.879 1 0 GKAFRO c1ccc(CC[N@@H+]2CCC[C@H](c3c4ccccc4[nH]c3-c3ccccc3)C2)cc1 ZINC000013862732 207003244 /nfs/dbraw/zinc/00/32/44/207003244.db2.gz HQXCPXHVSRWLFR-QHCPKHFHSA-N 1 0 380.535 6.257 1 0 in-vivo GKAFRO c1ccc(CC[NH2+][C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 ZINC000022938096 207266077 /nfs/dbraw/zinc/26/60/77/207266077.db2.gz RYHNNCDMPVRREY-NSOVKSMOSA-N 1 0 396.578 5.114 1 0 GKAFRO Cc1ccc2c(c1)nc(COc1ccc(Cl)cc1)n2CCC[C@H]1CCC[NH2+]C1 ZINC000026648199 207317104 /nfs/dbraw/zinc/31/71/04/207317104.db2.gz JXZMAOZJVZKKEK-GOSISDBHSA-N 1 0 397.950 5.357 1 0 GKAFRO Cc1[nH]c2ccccc2c1CCC[NH+]1CCC(c2noc3ccc(F)cc32)CC1 ZINC000027865191 207332554 /nfs/dbraw/zinc/33/25/54/207332554.db2.gz GCEAGUQGMMAULH-UHFFFAOYSA-N 1 0 391.490 5.569 1 0 GKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2cccc3ccccc32)n1 ZINC000028004620 207332701 /nfs/dbraw/zinc/33/27/01/207332701.db2.gz SBGBNTFKXMZPSQ-UHFFFAOYSA-N 1 0 396.566 5.774 1 0 GKAFRO Cc1cc(C)c2nc(Oc3ccc(Cl)cc3)cc([C@@H](O)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000027523328 207325974 /nfs/dbraw/zinc/32/59/74/207325974.db2.gz PUUHUYLTNYRKFR-NZQKXSOJSA-N 1 0 396.918 5.473 1 0 GKAFRO Cc1cc(C)c2nc(Oc3ccc(Cl)cc3)cc([C@H](O)[C@H]3CCCC[NH2+]3)c2c1 ZINC000027523331 207325991 /nfs/dbraw/zinc/32/59/91/207325991.db2.gz PUUHUYLTNYRKFR-OFNKIYASSA-N 1 0 396.918 5.473 1 0 GKAFRO Cc1c(C(=O)c2ccc(C[NH+](C)C)cc2)oc2cc(-c3ccccc3)cc(O)c12 ZINC000027523908 207326126 /nfs/dbraw/zinc/32/61/26/207326126.db2.gz ULFJINYDMKXQNP-UHFFFAOYSA-N 1 0 385.463 5.406 1 0 GKAFRO Cc1cccc(C)c1[C@@H](OC[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000028223930 207335703 /nfs/dbraw/zinc/33/57/03/207335703.db2.gz JMYDSBJBDDAFKE-ISXFXILCSA-N 1 0 381.560 5.033 1 0 GKAFRO C[NH+](C)[C@@H]1CCC[C@H]1N(C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000028245634 207337806 /nfs/dbraw/zinc/33/78/06/207337806.db2.gz JXKIKOHSWYQAMH-HZPDHXFCSA-N 1 0 383.344 5.184 1 0 GKAFRO C[NH+](C)CCOc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1 ZINC000028265127 207339360 /nfs/dbraw/zinc/33/93/60/207339360.db2.gz XILXHFIVXUTXFG-UHFFFAOYSA-N 1 0 399.534 5.628 1 0 GKAFRO C[C@@H]([C@H](c1ccc2cc(OCc3ccccc3)ccc2c1)n1ccnc1)[NH+](C)C ZINC000028344604 207340191 /nfs/dbraw/zinc/34/01/91/207340191.db2.gz XNPARDFAECDMGN-UQBPGWFLSA-N 1 0 385.511 5.155 1 0 GKAFRO OC1(CCCc2ccccc2)CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028817147 207348854 /nfs/dbraw/zinc/34/88/54/207348854.db2.gz LBCGIDHKEKGBGS-UHFFFAOYSA-N 1 0 385.551 5.626 1 0 in-vivo GKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(Nc3nc(-c4ccccc4)cs3)CC1)=CC2 ZINC000028957196 207352536 /nfs/dbraw/zinc/35/25/36/207352536.db2.gz NNQYIJGCHGXSGU-FPOVZHCZSA-N 1 0 393.600 5.679 1 0 GKAFRO COc1c(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)cc(C(C)(C)C)cc1C(C)(C)C ZINC000029338935 207360839 /nfs/dbraw/zinc/36/08/39/207360839.db2.gz ARQGRTUNCBNPRH-UHFFFAOYSA-N 1 0 378.520 5.118 1 0 GKAFRO Clc1ccc([C@@H]2[NH+]=C(N3CCCCC3)NC3=C2CCc2ccccc23)cc1 ZINC000045245792 207653128 /nfs/dbraw/zinc/65/31/28/207653128.db2.gz JQSZXOKOBLQGJB-NRFANRHFSA-N 1 0 377.919 5.184 1 0 GKAFRO O=C1c2ccccc2Oc2ccccc2C12CC[NH+](CCc1ccccc1)CC2 ZINC000060051760 207785285 /nfs/dbraw/zinc/78/52/85/207785285.db2.gz GXWCDHIFJXBMNT-UHFFFAOYSA-N 1 0 383.491 5.252 1 0 GKAFRO [NH3+]CCSC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000073199185 208034773 /nfs/dbraw/zinc/03/47/73/208034773.db2.gz WZSGPUWMRRRIGF-UHFFFAOYSA-N 1 0 395.571 6.337 1 0 GKAFRO Clc1ccc(C[C@@H]2Cc3ccccc3[C@@H]2[NH2+]Cc2ccccc2)c(Cl)c1 ZINC000082159677 208081766 /nfs/dbraw/zinc/08/17/66/208081766.db2.gz BQZJSRHWHVIONO-WMZHIEFXSA-N 1 0 382.334 6.239 1 0 GKAFRO CC(C)CCC[N@H+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000084587346 208093152 /nfs/dbraw/zinc/09/31/52/208093152.db2.gz ZSEOGZBIECBCLX-CAQMSIDYSA-N 1 0 389.668 6.127 1 0 GKAFRO CC(C)(C)c1ccc([C@@H](O[C@H](C[NH3+])c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000084687633 208095171 /nfs/dbraw/zinc/09/51/71/208095171.db2.gz IIWXLVYYYOEOML-DNQXCXABSA-N 1 0 393.958 6.444 1 0 GKAFRO c1cc2c(s1)CCOC21CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000084731294 208097332 /nfs/dbraw/zinc/09/73/32/208097332.db2.gz AQPMSMBUIVPZAO-UHFFFAOYSA-N 1 0 381.566 5.541 1 0 GKAFRO CCC[NH+](CCC)[C@@H]1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000029338391 210543548 /nfs/dbraw/zinc/54/35/48/210543548.db2.gz OSFSWZUCOBPVDJ-IBGZPJMESA-N 1 0 377.450 5.798 1 0 GKAFRO Cc1cc(C)c2nc(Nc3ccc(Cl)cc3)cc([C@H](O)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000027523443 210513184 /nfs/dbraw/zinc/51/31/84/210513184.db2.gz JJHWPPCEUOZIFP-REWPJTCUSA-N 1 0 395.934 5.424 1 0 GKAFRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095571976 208235119 /nfs/dbraw/zinc/23/51/19/208235119.db2.gz WQMNXHOWINIDRC-ULCLHEGSSA-N 1 0 389.624 5.562 1 0 GKAFRO Fc1ccc(/N=c2\ccn(CCC[NH+]3CCCCC3)c3cc(Cl)ccc32)cc1 ZINC000096931946 208329485 /nfs/dbraw/zinc/32/94/85/208329485.db2.gz XWCPZJBYJXGFDK-XTCLZLMSSA-N 1 0 397.925 5.542 1 0 GKAFRO CC1=C(CC[NH+]2CCOCC2)c2ccccc2/C1=C/c1cccc2ccccc12 ZINC000100813091 208381853 /nfs/dbraw/zinc/38/18/53/208381853.db2.gz XVYHROZUQPHJKX-ZXVVBBHZSA-N 1 0 381.519 5.890 1 0 GKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)c1)C2 ZINC000100834260 208383972 /nfs/dbraw/zinc/38/39/72/208383972.db2.gz JVRPSAXWRWKONX-IVAOSVALSA-N 1 0 393.424 5.576 1 0 GKAFRO CC(C)(C)C1(O)CC[NH+](C[C@@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1 ZINC000003788781 220665520 /nfs/dbraw/zinc/66/55/20/220665520.db2.gz QQVJTWWHIOBBNM-RDPSFJRHSA-N 1 0 395.974 5.348 1 0 GKAFRO COc1ccccc1[C@@]1(CC[NH2+][C@H](C)c2cccs2)CCO[C@@H](C(C)C)C1 ZINC000013143313 221262703 /nfs/dbraw/zinc/26/27/03/221262703.db2.gz CEYBVEUXOMNZSU-AAIMPIBUSA-N 1 0 387.589 5.570 1 0 GKAFRO c1ccc(CO[C@H]2Cc3ccccc3C3(CC[NH+](Cc4ccccc4)CC3)O2)cc1 ZINC000013472056 221269067 /nfs/dbraw/zinc/26/90/67/221269067.db2.gz ZAHBMJFXABWXDO-AREMUKBSSA-N 1 0 399.534 5.294 1 0 GKAFRO CCCC(CCC)N1CCc2cn(-c3cccc(OC)c3)c3[nH+]c(C)cc1c23 ZINC000013645758 221279133 /nfs/dbraw/zinc/27/91/33/221279133.db2.gz XPPYAGFCQDXAHK-UHFFFAOYSA-N 1 0 377.532 5.674 1 0 GKAFRO Clc1ccc(-c2cc(C3CC[NH+](Cc4ccccc4Cl)CC3)[nH]n2)cc1 ZINC000013763823 221287926 /nfs/dbraw/zinc/28/79/26/221287926.db2.gz LKPNIBAOVAQLNF-UHFFFAOYSA-N 1 0 386.326 5.763 1 0 GKAFRO Clc1ccc(C[NH+]2CCC(c3cc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000013755890 221287097 /nfs/dbraw/zinc/28/70/97/221287097.db2.gz BKCOTBJYDGSUFC-UHFFFAOYSA-N 1 0 387.310 6.028 1 0 GKAFRO O=C(Nc1ccc2ccccc2c1)NC1CC[NH+](CC2=CCCCCCC2)CC1 ZINC000013974705 221294618 /nfs/dbraw/zinc/29/46/18/221294618.db2.gz MZMYJUORJONGQJ-UHFFFAOYSA-N 1 0 391.559 5.706 1 0 GKAFRO c1ccc([C@@H](c2ccc(N3CC[NH2+]CC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000084618537 136175065 /nfs/dbraw/zinc/17/50/65/136175065.db2.gz HBXNTQUIWJGXNY-SBPGVSCKSA-N 1 0 386.583 5.445 1 0 GKAFRO c1[nH]c2cccc3c2c1C[C@@H]1C[N@H+](Cc2ccccc2-c2ccccc2)CCN31 ZINC000118364088 136192254 /nfs/dbraw/zinc/19/22/54/136192254.db2.gz VJYRFSZIRUISDG-JOCHJYFZSA-N 1 0 379.507 5.082 1 0 GKAFRO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@H](C)C[NH2+]2 ZINC000263637113 209082933 /nfs/dbraw/zinc/08/29/33/209082933.db2.gz KOZCINYDCJVLDW-VIIPBNJBSA-N 1 0 399.663 6.396 1 0 GKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)ccc3c2OC[C@H](C)C[NH+](C)C)c1 ZINC000026578658 221644925 /nfs/dbraw/zinc/64/49/25/221644925.db2.gz WEEUWUZODZRUKJ-MRXNPFEDSA-N 1 0 398.934 5.042 1 0 GKAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](c1nnc(-c3ccccc3)o1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000058608838 222054580 /nfs/dbraw/zinc/05/45/80/222054580.db2.gz BTMJKIPIYJYOOV-ZRNYENFQSA-N 1 0 379.891 5.124 1 0 GKAFRO COc1cc(C)c2c(n1)c(N[C@H](C)CCC[NH3+])cc(OC)c2-c1cccc(C)c1 ZINC000066100881 222137477 /nfs/dbraw/zinc/13/74/77/222137477.db2.gz RDYFMLZIDLWRDQ-QGZVFWFLSA-N 1 0 393.531 5.075 1 0 GKAFRO Cc1ccc(NCCC2(c3ccccc3)CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000072110007 222205256 /nfs/dbraw/zinc/20/52/56/222205256.db2.gz OPWZGZMGLSSHRQ-UHFFFAOYSA-N 1 0 384.995 6.329 1 0 GKAFRO CC(C)[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1 ZINC000072118606 222206829 /nfs/dbraw/zinc/20/68/29/222206829.db2.gz LZUPETXUTFQSOZ-KRWDZBQOSA-N 1 0 382.722 5.701 1 0 GKAFRO CC(C)C[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(Cl)c1 ZINC000072118778 222207185 /nfs/dbraw/zinc/20/71/85/222207185.db2.gz OXDZZTCQJZLDGI-INIZCTEOSA-N 1 0 396.749 6.091 1 0 GKAFRO NC(=O)c1c[nH+]c(NC2CCCCC2)c2c3cc(-c4ccccc4)ccc3[nH]c21 ZINC000072125180 222209054 /nfs/dbraw/zinc/20/90/54/222209054.db2.gz USNFVLLNFDHRRA-UHFFFAOYSA-N 1 0 384.483 5.227 1 0 GKAFRO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NC(C)(C)C)c1-3 ZINC000072176230 222216624 /nfs/dbraw/zinc/21/66/24/222216624.db2.gz QBLFVLVMLBAUAE-LJQANCHMSA-N 1 0 378.516 5.106 1 0 GKAFRO CC(C)(C)c1ccc([C@@H](O[C@@H](C[NH3+])c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000084687631 222319704 /nfs/dbraw/zinc/31/97/04/222319704.db2.gz IIWXLVYYYOEOML-BJKOFHAPSA-N 1 0 393.958 6.444 1 0 GKAFRO CC[NH+](CC)CCOC(COC)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000084688619 222320067 /nfs/dbraw/zinc/32/00/67/222320067.db2.gz RPBWXTBOBQXZJE-UHFFFAOYSA-N 1 0 396.358 5.242 1 0 GKAFRO c1ccc([C@@H](c2ccc(C[NH+]3CCCCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095564071 222356942 /nfs/dbraw/zinc/35/69/42/222356942.db2.gz XBXXDZJXFLUDEL-GGMIGWIBSA-N 1 0 399.622 7.021 1 0 GKAFRO Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(c2ccccc2)CC1 ZINC000095605446 222359510 /nfs/dbraw/zinc/35/95/10/222359510.db2.gz XHRHNSSIUAMBDN-SANMLTNESA-N 1 0 398.550 5.863 3 0 GKAFRO CCSc1nc2c(cc(-c3ccc(Cl)cc3)n2-c2ccccc2)c(=[NH2+])s1 ZINC000169313043 222532801 /nfs/dbraw/zinc/53/28/01/222532801.db2.gz GWQIZIYNJYGJLD-UHFFFAOYSA-N 1 0 397.956 5.999 1 0 GKAFRO Cc1ccc2nc(Nc3ccc(Cl)cc3)cc([C@H](O)C[C@@H]3CCCC[NH2+]3)c2c1 ZINC000169334327 222534932 /nfs/dbraw/zinc/53/49/32/222534932.db2.gz VMXGWAGHROAYJI-PGRDOPGGSA-N 1 0 395.934 5.506 1 0 GKAFRO CCOc1cccc([C@@]2([NH+]3CCN(c4ccccc4)CC3)CC[C@H](C)CC2)c1 ZINC000101511262 535474886 /nfs/dbraw/zinc/47/48/86/535474886.db2.gz HKVWLCPNTJYNBO-IVHGUIJPSA-N 1 0 378.560 5.313 1 0 GKAFRO C[C@H](CCC[NH+](C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000006036364 571690882 /nfs/dbraw/zinc/69/08/82/571690882.db2.gz RZPPEFJMRVRCDD-XSLNCIIRSA-N 1 0 387.652 5.904 1 0 endogenous,in-man GKAFRO CCC[N@H+](CCCOc1cccc(Cl)c1)[C@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741746 581094320 /nfs/dbraw/zinc/09/43/20/581094320.db2.gz INAFJGHXLCGHAU-FQEVSTJZSA-N 1 0 396.962 5.860 1 0 GKAFRO CCn1c(C)nc2cc(C(=O)CCC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000000606694 581095454 /nfs/dbraw/zinc/09/54/54/581095454.db2.gz NMPLPABDEKPABN-UHFFFAOYSA-N 1 0 389.543 5.240 1 0 GKAFRO C[NH+](C)CCc1ccc(Nc2ncc(Cl)c(-c3ccc4cc[nH]c4c3)n2)cc1 ZINC000028821336 581095542 /nfs/dbraw/zinc/09/55/42/581095542.db2.gz LHOZDNGAEMLEKU-UHFFFAOYSA-N 1 0 391.906 5.126 1 0 GKAFRO C[NH+](C)CCc1ccc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc43)n2)cc1 ZINC000028821333 581095667 /nfs/dbraw/zinc/09/56/67/581095667.db2.gz AIEHUMVISDRBPD-UHFFFAOYSA-N 1 0 391.906 5.126 1 0 GKAFRO CSc1nc(-c2ccnc(NCc3ccccn3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040936145 581098324 /nfs/dbraw/zinc/09/83/24/581098324.db2.gz CTWBNJIOGRXTHT-UHFFFAOYSA-N 1 0 391.475 5.007 1 0 GKAFRO c1ccc(CC[N@@H+]2CCC[C@@H](c3c4ccccc4[nH]c3-c3ccccc3)C2)cc1 ZINC000013862731 210095082 /nfs/dbraw/zinc/09/50/82/210095082.db2.gz HQXCPXHVSRWLFR-HSZRJFAPSA-N 1 0 380.535 6.257 1 0 in-vivo GKAFRO O[C@@H](C[N@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2)c1ccc(Cl)c(Cl)c1 ZINC000013766719 210090228 /nfs/dbraw/zinc/09/02/28/210090228.db2.gz CDDODAHZNGOHJP-RHXYGLJOSA-N 1 0 376.327 5.437 1 0 GKAFRO CCc1c(-c2ccc(Cl)cc2)n[nH]c1C1CC[NH+](Cc2ccccc2)CC1 ZINC000013763881 210089935 /nfs/dbraw/zinc/08/99/35/210089935.db2.gz GJUDGMHZQOXKJL-UHFFFAOYSA-N 1 0 379.935 5.672 1 0 GKAFRO COc1ccc([C@H]2[NH+]=CN[C@H]2c2c(Cl)cc(OC)cc2Cl)c(Cl)c1 ZINC000013558454 210067523 /nfs/dbraw/zinc/06/75/23/210067523.db2.gz JKOFDFLVVGMNIV-SJORKVTESA-N 1 0 385.678 5.078 1 0 GKAFRO O=C1Nc2cccc3c2[C@@]1(CCCC[NH+]1CCC(c2ccccc2)CC1)CCC3 ZINC000013473701 210063226 /nfs/dbraw/zinc/06/32/26/210063226.db2.gz JDEHFOZPDOJQHX-AREMUKBSSA-N 1 0 388.555 5.263 1 0 GKAFRO COc1cccc(C2=CC[C@@H]([NH+]3CCN(c4cccc5ccccc54)CC3)CC2)c1 ZINC000013470706 210062552 /nfs/dbraw/zinc/06/25/52/210062552.db2.gz COSIKLPCGWBEMS-XMMPIXPASA-N 1 0 398.550 5.607 1 0 GKAFRO Cc1c(F)c(Oc2cccc(Cl)c2)nc(Oc2cccc(C(N)=[NH2+])c2)c1F ZINC000013474026 210062649 /nfs/dbraw/zinc/06/26/49/210062649.db2.gz CZGARVRAKIAIFU-UHFFFAOYSA-N 1 0 389.789 5.190 1 0 GKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000001532956 209332299 /nfs/dbraw/zinc/33/22/99/209332299.db2.gz CQWPZSWNLBUMFT-UHFFFAOYSA-N 1 0 393.575 5.981 1 0 GKAFRO CC(C)CC(=O)N(C)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028356218 209242936 /nfs/dbraw/zinc/24/29/36/209242936.db2.gz CEKHXWXLOIFWLF-UHFFFAOYSA-N 1 0 392.587 5.178 1 0 GKAFRO Cc1c2cc(O)ccc2n(CCCCCC[NH+]2CCCC2)c1-c1ccc(O)cc1 ZINC000001914469 212144024 /nfs/dbraw/zinc/14/40/24/212144024.db2.gz SACIXOLGIWUXTG-UHFFFAOYSA-N 1 0 392.543 5.684 1 0 GKAFRO c1ccc(CC[NH+]2CCC(c3c4ccccc4[nH]c3-c3ccccc3)CC2)cc1 ZINC000001489880 203911276 /nfs/dbraw/zinc/91/12/76/203911276.db2.gz MONKRYYJEIHBRU-UHFFFAOYSA-N 1 0 380.535 6.257 1 0 in-vivo GKAFRO O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000003809434 204019631 /nfs/dbraw/zinc/01/96/31/204019631.db2.gz FAIAAUQDOXAYBM-RUZDIDTESA-N 1 0 397.522 5.288 1 0 GKAFRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)-c1ccccc1SC2 ZINC000006738639 204196726 /nfs/dbraw/zinc/19/67/26/204196726.db2.gz DWNMKHORTDGZCK-HNNXBMFYSA-N 1 0 386.586 5.015 1 0 GKAFRO Clc1cccc(C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000039233865 205040993 /nfs/dbraw/zinc/04/09/93/205040993.db2.gz ZDPSAPIPOJPXOT-DEOSSOPVSA-N 1 0 382.979 5.574 1 0 GKAFRO C[NH+](C)C12CC(=O)C([C@H](c3ccc(Cl)cc3)C1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000040764321 205070669 /nfs/dbraw/zinc/07/06/69/205070669.db2.gz FQJTUZVNMQJSKL-IVCWUUCSSA-N 1 0 388.338 5.544 1 0 GKAFRO C[C@@H]1C[NH+](Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C[C@@H](C)O1 ZINC000045189895 205093243 /nfs/dbraw/zinc/09/32/43/205093243.db2.gz GHZWIFGMKVKPJM-RTBURBONSA-N 1 0 397.522 5.506 1 0 GKAFRO Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCCCC5)cc4)s3)nc21 ZINC000045322651 205096590 /nfs/dbraw/zinc/09/65/90/205096590.db2.gz WAOCZCZOJFUUBL-UHFFFAOYSA-N 1 0 387.552 6.253 1 0 GKAFRO Cc1ccc(Cc2cc([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(C)cc3)[N@H+]4C)on2)cc1 ZINC000045497612 205097491 /nfs/dbraw/zinc/09/74/91/205097491.db2.gz IAMKFWCUQGPZKF-WSKLTFMVSA-N 1 0 386.539 5.616 1 0 GKAFRO C[C@H](c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000040848157 205072415 /nfs/dbraw/zinc/07/24/15/205072415.db2.gz PJAOIPUALPETNP-YGRLFVJLSA-N 1 0 376.344 5.518 1 0 GKAFRO Fc1ccc2c(c1)[nH]c(=S)n2-c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000040954305 205075176 /nfs/dbraw/zinc/07/51/76/205075176.db2.gz JUGGIWHGQWMUBH-UHFFFAOYSA-N 1 0 385.508 5.082 1 0 GKAFRO Cc1ccc(Sc2ccccc2C[NH+](C)C)c(NC(=O)c2ccc(F)cc2)c1 ZINC000040975254 205076282 /nfs/dbraw/zinc/07/62/82/205076282.db2.gz UWKDYASULVDCRI-UHFFFAOYSA-N 1 0 394.515 5.599 1 0 GKAFRO Fc1cccc(-c2cc(Cl)ccc2Cl)c1-c1nc(C2CC[NH2+]CC2)no1 ZINC000049035255 205125089 /nfs/dbraw/zinc/12/50/89/205125089.db2.gz SFXHRHJZVXBMCV-UHFFFAOYSA-N 1 0 392.261 5.317 1 0 GKAFRO C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(-c3ccccc3)ccc21 ZINC000058568525 205175998 /nfs/dbraw/zinc/17/59/98/205175998.db2.gz FHOJGOWAGBEJGR-RUZDIDTESA-N 1 0 375.487 5.608 1 0 GKAFRO c1ccc2c(c1)cccc2CC[N@@H+]1CCNC[C@H]1Cc1cccc2ccccc21 ZINC000061948905 205184263 /nfs/dbraw/zinc/18/42/63/205184263.db2.gz MQXYIJLFFYAVPF-RUZDIDTESA-N 1 0 380.535 5.052 3 0 GKAFRO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CCCC[NH2+]1 ZINC000072110446 205305074 /nfs/dbraw/zinc/30/50/74/205305074.db2.gz PYTZAOWKBPBLJL-OSFZIUFISA-N 1 0 385.636 5.705 1 0 GKAFRO C[C@H]1[C@@H]2C[C@H](C[C@H]1[NH2+]Cc1coc(-c3ccccc3Br)n1)C2(C)C ZINC000072181802 205317492 /nfs/dbraw/zinc/31/74/92/205317492.db2.gz XDIDLAXQWXZJCD-URLYELCFSA-N 1 0 389.337 5.264 1 0 GKAFRO C[C@H]1C[C@H]([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)CC(C)(C)C1 ZINC000072184145 205317586 /nfs/dbraw/zinc/31/75/86/205317586.db2.gz VIPDAASUYAPMCD-BBRMVZONSA-N 1 0 377.326 5.409 1 0 GKAFRO C[C@@H](c1ccccc1)[NH+]1CCC(COc2nc3ccsc3n3cccc23)CC1 ZINC000169329278 205827709 /nfs/dbraw/zinc/82/77/09/205827709.db2.gz GBGPGZWLBSOOGX-KRWDZBQOSA-N 1 0 391.540 5.401 1 0 GKAFRO c1[nH]c2ccccc2c1[C@@H]1CC[C@@H](CC[N@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC000100788546 211392369 /nfs/dbraw/zinc/39/23/69/211392369.db2.gz VSQWONPJPLALKE-PEPAQOBHSA-N 1 0 384.567 6.621 1 0 GKAFRO O=C1Cc2c(csc2-c2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000095605042 211282654 /nfs/dbraw/zinc/28/26/54/211282654.db2.gz ZNCKUYLUBFVNNU-UHFFFAOYSA-N 1 0 389.520 5.006 1 0 GKAFRO Cc1c2[nH]c3cc(OCc4ccccc4)ccc3c2cc[n+]1Cc1ccccc1 ZINC000095555713 211276385 /nfs/dbraw/zinc/27/63/85/211276385.db2.gz FKXSFBCTBJCRQP-UHFFFAOYSA-O 1 0 379.483 5.544 1 0 GKAFRO CN(C)c1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccc(N)cc3)c2)cc1 ZINC000084884078 211176556 /nfs/dbraw/zinc/17/65/56/211176556.db2.gz KHCLCIULGUSVPD-UHFFFAOYSA-N 1 0 383.540 6.678 1 0 GKAFRO CCCC[C@@H]1Cc2cc(OC)ccc2-c2c(C[NH2+]C)c3ccc(OC)cc3n21 ZINC000013606393 206984650 /nfs/dbraw/zinc/98/46/50/206984650.db2.gz ZSQJPBKGUGOJJK-QGZVFWFLSA-N 1 0 378.516 5.332 1 0 GKAFRO Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1 ZINC000013835520 207003052 /nfs/dbraw/zinc/00/30/52/207003052.db2.gz OAVBZAVCCFWUSH-UHFFFAOYSA-N 1 0 397.478 5.265 1 0 GKAFRO COc1ccc(C[C@H](c2ccccc2)N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000039233841 210801438 /nfs/dbraw/zinc/80/14/38/210801438.db2.gz NXCMABMCUAEOJJ-AREMUKBSSA-N 1 0 392.587 5.319 1 0 GKAFRO Fc1ccc([C@@H]2C[C@@H](N3CC[N@@H+]4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937939 207265308 /nfs/dbraw/zinc/26/53/08/207265308.db2.gz GKDSUAQEAHBUGZ-UNWVZKJWSA-N 1 0 384.926 5.226 1 0 GKAFRO COc1cc2ccc(C34CC5CC(CC(C5)C3)C4)nc2c(N[C@H](C)CCC[NH3+])c1 ZINC000026726349 207317657 /nfs/dbraw/zinc/31/76/57/207317657.db2.gz APZCHSVFDBPQAX-ASXFNGKXSA-N 1 0 393.575 5.251 1 0 GKAFRO Brc1cccc2c1N[C@@H]1[C@@H]2CC[NH2+][C@H]1Cc1cccc2ccccc21 ZINC000026659052 207317776 /nfs/dbraw/zinc/31/77/76/207317776.db2.gz HRBOWYCAJNJYQJ-KAGYGMCKSA-N 1 0 393.328 5.085 1 0 GKAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](c1nnc(-c3ccccc3)o1)[C@H](c1ccc(Cl)cc1)C2 ZINC000026655717 207317952 /nfs/dbraw/zinc/31/79/52/207317952.db2.gz BTMJKIPIYJYOOV-FYQPLNBISA-N 1 0 379.891 5.124 1 0 GKAFRO CCCCCC1(CCCCC)CCC2(CCN(CCC[NH+](C)C)CC2)CC1 ZINC000026744697 207319339 /nfs/dbraw/zinc/31/93/39/207319339.db2.gz GGBNHSBEAQXZIL-UHFFFAOYSA-N 1 0 378.689 6.741 1 0 GKAFRO c1[nH]c([C@@H]2Cc3c4ccccc4[nH]c3[C@@H](C3CCCCC3)[NH2+]2)nc1-c1ccccc1 ZINC000026822311 207319681 /nfs/dbraw/zinc/31/96/81/207319681.db2.gz CMKNFFUUKQPJOF-LADGPHEKSA-N 1 0 396.538 6.066 1 0 GKAFRO OC1(c2cccc(C(F)(F)F)c2)CC[NH+]([C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000026959084 207320940 /nfs/dbraw/zinc/32/09/40/207320940.db2.gz SRTQOYUOPOJCLI-QKLQHJQFSA-N 1 0 381.482 5.348 1 0 GKAFRO C[NH+](C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2ccc(Cl)cc2)CC1 ZINC000027327902 207323296 /nfs/dbraw/zinc/32/32/96/207323296.db2.gz ZZVZRJGIDVDWPF-UHFFFAOYSA-N 1 0 392.370 5.688 1 0 GKAFRO C[NH+](C)CCSc1nc2ccccc2cc1-c1ccc(C(F)(F)F)cc1 ZINC000026377329 207313687 /nfs/dbraw/zinc/31/36/87/207313687.db2.gz UTYIZNPLLXYIPK-UHFFFAOYSA-N 1 0 376.447 5.574 1 0 GKAFRO CCCOC(=O)c1ccc([C@@H]2c3cc(C)ccc3[C@H]3C[N@@H+](CC)CC[C@@H]23)cc1 ZINC000027763688 207330328 /nfs/dbraw/zinc/33/03/28/207330328.db2.gz TYMGNTJVFQQQMO-JRFVFWCSSA-N 1 0 377.528 5.133 1 0 GKAFRO CCCCN[C@H](c1ccc(OC)cc1)[C@@H]([NH2+]CCCC)c1ccc(OC)cc1 ZINC000027897142 207332403 /nfs/dbraw/zinc/33/24/03/207332403.db2.gz SOXOSPJHYCOVSJ-PSWAGMNNSA-N 1 0 384.564 5.266 1 0 GKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccccc2Cl)n1 ZINC000028004253 207333782 /nfs/dbraw/zinc/33/37/82/207333782.db2.gz BXNZUFPOZGUYCZ-UHFFFAOYSA-N 1 0 380.951 5.275 1 0 GKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccccc2)CC1 ZINC000027527138 207326092 /nfs/dbraw/zinc/32/60/92/207326092.db2.gz UGINOMBYYXAJGN-UHFFFAOYSA-N 1 0 394.584 5.049 1 0 GKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1Cn1ccc2c[nH+]ccc21 ZINC000028569489 207344638 /nfs/dbraw/zinc/34/46/38/207344638.db2.gz JODPSFDUTOWDBO-UHFFFAOYSA-N 1 0 396.277 5.644 1 0 GKAFRO CCC[NH+](CCC)[C@H]1CCC[C@@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028238230 207337496 /nfs/dbraw/zinc/33/74/96/207337496.db2.gz IVJWEZJHGAQSEY-OALUTQOASA-N 1 0 385.379 5.780 1 0 GKAFRO CC[NH+](CC)CCC1C(c2ccccc2)=NC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000028520886 207342229 /nfs/dbraw/zinc/34/22/29/207342229.db2.gz LXEPYDWSLLSSIS-QFIPXVFZSA-N 1 0 397.950 5.179 1 0 GKAFRO CCCCNc1ccc(C(=O)OCCCC[NH+](CCCC)CCCC)cc1 ZINC000029037928 207352375 /nfs/dbraw/zinc/35/23/75/207352375.db2.gz ROSBJCIRNHCUQJ-UHFFFAOYSA-N 1 0 376.585 5.738 1 0 GKAFRO CC(=O)NCC(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)(c1ccccc1)c1ccccc1 ZINC000029552273 207364780 /nfs/dbraw/zinc/36/47/80/207364780.db2.gz JUHSKDJNFUXDNS-SZPZYZBQSA-N 1 0 392.587 5.152 1 0 GKAFRO CC(=O)NCC(CCC[NH+]1[C@H](C)CCC[C@H]1C)(c1ccccc1)c1ccccc1 ZINC000029552269 207365002 /nfs/dbraw/zinc/36/50/02/207365002.db2.gz JUHSKDJNFUXDNS-FGZHOGPDSA-N 1 0 392.587 5.152 1 0 GKAFRO Cc1ccc(C[C@H](c2ccccc2)N2CC[NH+](C3CCCCCCC3)CC2)cc1 ZINC000039233855 207564000 /nfs/dbraw/zinc/56/40/00/207564000.db2.gz YIBLNMHWFYHYHK-HHHXNRCGSA-N 1 0 390.615 6.009 1 0 GKAFRO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CC[C@H](C)C[NH2+]1 ZINC000040391346 207594828 /nfs/dbraw/zinc/59/48/28/207594828.db2.gz SWTXHUUBYZNDAJ-BXTYSGRPSA-N 1 0 399.663 5.951 1 0 GKAFRO COc1cccc2c1CCC[C@@H]2CCC[NH+]1CCC(O)(C2CCCCC2)CC1 ZINC000045285563 207654323 /nfs/dbraw/zinc/65/43/23/207654323.db2.gz SRQQSSMLBDVMEK-HXUWFJFHSA-N 1 0 385.592 5.303 1 0 GKAFRO CC(C)CC[NH2+][C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072134972 207977502 /nfs/dbraw/zinc/97/75/02/207977502.db2.gz CCPDDUWURQCKST-FFSPZZLLSA-N 1 0 389.668 6.030 1 0 GKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1cccc(F)c1 ZINC000073198380 208034818 /nfs/dbraw/zinc/03/48/18/208034818.db2.gz XCWIGYLTGDZLOY-HNNXBMFYSA-N 1 0 383.467 5.023 1 0 GKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccccc1F ZINC000082151008 208081439 /nfs/dbraw/zinc/08/14/39/208081439.db2.gz WPKXVUVSLAOMDU-OAHLLOKOSA-N 1 0 383.467 5.023 1 0 GKAFRO c1cc2c(s1)CCOC21CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000084731287 208098507 /nfs/dbraw/zinc/09/85/07/208098507.db2.gz UMAYSUNVYHASJH-UHFFFAOYSA-N 1 0 381.566 5.541 1 0 GKAFRO CCCCc1cc(-c2ccc(N(C)C)cc2)cc(-c2ccc(N(C)C)cc2)[s+]1 ZINC000028649315 210530699 /nfs/dbraw/zinc/53/06/99/210530699.db2.gz JOFRNZURZMFPPY-UHFFFAOYSA-N 1 0 391.604 6.838 1 0 GKAFRO Clc1ccc2c(c1)CCc1cccnc1C2=C1CC[NH+]([C@H]2CC=CCC2)CC1 ZINC000096907882 208328315 /nfs/dbraw/zinc/32/83/15/208328315.db2.gz RODDBAABSCYNJN-QFIPXVFZSA-N 1 0 390.958 5.840 1 0 GKAFRO Oc1cccc([C@]23CC[N@H+](CCc4ccccc4)[C@H](C2)[C@H]2CCCC[C@@H]2C3)c1 ZINC000096910735 208327839 /nfs/dbraw/zinc/32/78/39/208327839.db2.gz YXPACWDGDILFNQ-DMKHAHDWSA-N 1 0 375.556 5.547 1 0 GKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1cccc(C(F)(F)F)c1)C2 ZINC000100834441 208384004 /nfs/dbraw/zinc/38/40/04/208384004.db2.gz WZMSAZDHYHGFTN-IVAOSVALSA-N 1 0 375.434 5.437 1 0 GKAFRO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000101061065 208385611 /nfs/dbraw/zinc/38/56/11/208385611.db2.gz YGVRYGYKGFIQTL-NUNAXRQHSA-N 1 0 384.514 5.439 1 0 GKAFRO COc1ccc(-c2cc([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(C)cc3)[N@@H+]4C)on2)cc1 ZINC000013532752 221271647 /nfs/dbraw/zinc/27/16/47/221271647.db2.gz WDCUMSARTHPFTE-VUHNXCBZSA-N 1 0 388.511 5.393 1 0 GKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1ncc(-c2ccccc2)s1 ZINC000013756872 221288090 /nfs/dbraw/zinc/28/80/90/221288090.db2.gz WEUZYHQNGQDGAB-HIUFNZKISA-N 1 0 394.971 6.197 1 0 in-vivo GKAFRO C[NH+](C)CC[C@H](OC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 ZINC000013684808 221280770 /nfs/dbraw/zinc/28/07/70/221280770.db2.gz BYXDKMUOJWVBEJ-FQEVSTJZSA-N 1 0 388.939 5.879 1 0 GKAFRO CCCCCC[N@@H+]1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccccc3c12 ZINC000013741147 221286423 /nfs/dbraw/zinc/28/64/23/221286423.db2.gz XLGJTNDMPQXWQX-FNZWTVRRSA-N 1 0 388.555 5.760 1 0 GKAFRO Cc1ccc(SC[C@@H](c2ccccc2)N2CC[N@@H+](CC(C)C)CCC2=O)cc1 ZINC000013830494 221290924 /nfs/dbraw/zinc/29/09/24/221290924.db2.gz XYEVPWVPFJXMNZ-QHCPKHFHSA-N 1 0 396.600 5.019 1 0 GKAFRO C[C@@H](CCN1C(Nc2ccccc2)=[NH+]C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000015924738 221352628 /nfs/dbraw/zinc/35/26/28/221352628.db2.gz FCZGBLOBPUZQRI-OFVILXPXSA-N 1 0 383.539 5.575 3 0 GKAFRO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)c1 ZINC000096910024 136187630 /nfs/dbraw/zinc/18/76/30/136187630.db2.gz PDGKPXGEVAKUDP-UHFFFAOYSA-N 1 0 396.456 5.695 1 0 GKAFRO Clc1ccc2c(c1)Sc1cc3ccccc3nc1N2CC[NH+]1CCCCC1 ZINC000096905928 136187697 /nfs/dbraw/zinc/18/76/97/136187697.db2.gz VSFXGVBILMXDKC-UHFFFAOYSA-N 1 0 395.959 5.977 1 0 GKAFRO c1[nH]c2ccccc2c1[C@@H]1CC[C@@H](CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000100788554 136189281 /nfs/dbraw/zinc/18/92/81/136189281.db2.gz NALJRHHJWWRDEP-SZPZYZBQSA-N 1 0 387.571 5.654 1 0 GKAFRO c1[nH]c2cccc3c2c1C[C@H]1C[N@H+](Cc2cccc(-c4ccccc4)c2)CCN31 ZINC000169351337 136197257 /nfs/dbraw/zinc/19/72/57/136197257.db2.gz YMYDUVXFUAIERG-QHCPKHFHSA-N 1 0 379.507 5.082 1 0 GKAFRO CCC[NH+](CCC)[C@H]1CCc2cc(CSc3ccc(OC)cc3)ccc2C1 ZINC000027328382 221651870 /nfs/dbraw/zinc/65/18/70/221651870.db2.gz ZFEFDWZMIMRBOX-QFIPXVFZSA-N 1 0 383.601 5.967 1 0 GKAFRO Cc1ccc(-c2cc3nc(C)c(C[NH3+])c(-c4ccc(Cl)cc4Cl)n3n2)cc1 ZINC000035847765 221833905 /nfs/dbraw/zinc/83/39/05/221833905.db2.gz DYBVKNZWDVWANN-UHFFFAOYSA-N 1 0 397.309 5.446 1 0 GKAFRO c1ccc2c3nc(-c4ccc(OCCC[NH+]5CCCCC5)cc4)oc3ccc2c1 ZINC000040379833 221919143 /nfs/dbraw/zinc/91/91/43/221919143.db2.gz YIZODBHRAFOWHJ-UHFFFAOYSA-N 1 0 386.495 5.903 1 0 GKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2c1cccc2-c1ccccc1 ZINC000058581348 222053502 /nfs/dbraw/zinc/05/35/02/222053502.db2.gz WZFRILPOLZMIQF-VWLOTQADSA-N 1 0 375.487 5.608 1 0 GKAFRO COc1cc(C)c2c(n1)c(N[C@@H](C)CCC[NH3+])cc(OC)c2-c1cccc(C)c1 ZINC000066100878 222137534 /nfs/dbraw/zinc/13/75/34/222137534.db2.gz RDYFMLZIDLWRDQ-KRWDZBQOSA-N 1 0 393.531 5.075 1 0 GKAFRO CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@@H+]1CC1CCC1 ZINC000071318830 222180874 /nfs/dbraw/zinc/18/08/74/222180874.db2.gz GNOWSJYOGJOBFL-SNYIIPAISA-N 1 0 395.616 5.587 1 0 GKAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000072100881 222205790 /nfs/dbraw/zinc/20/57/90/222205790.db2.gz POQPFANUCUAMAV-IBGZPJMESA-N 1 0 378.516 5.979 1 0 GKAFRO COc1cccc(Cn2c3cc(Cl)c(Cl)cc3nc2[C@@H]([NH3+])C(C)C)c1 ZINC000072118346 222207551 /nfs/dbraw/zinc/20/75/51/222207551.db2.gz JWMZHLZGQMLKDD-SFHVURJKSA-N 1 0 378.303 5.056 1 0 GKAFRO C[NH+](C)C[C@H]1CCc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2C1 ZINC000072113404 222207560 /nfs/dbraw/zinc/20/75/60/222207560.db2.gz SHTXMWXRCCYBMW-IBGZPJMESA-N 1 0 384.523 5.272 1 0 GKAFRO CC(C)CCC[N@H+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000084587347 222317727 /nfs/dbraw/zinc/31/77/27/222317727.db2.gz ZSEOGZBIECBCLX-AVCKHWJFSA-N 1 0 389.668 6.127 1 0 GKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nc(C)ccc2c1Oc1ccc(Cl)cc1 ZINC000084732668 222320885 /nfs/dbraw/zinc/32/08/85/222320885.db2.gz VSBOVSMTSGSQJU-CQSZACIVSA-N 1 0 399.922 5.537 1 0 GKAFRO C[NH+](C)Cc1ccccc1-c1ccc2c(cccc2-c2ccc(C(C)(C)C)cc2)c1 ZINC000095601855 222358293 /nfs/dbraw/zinc/35/82/93/222358293.db2.gz OEDOEVWLVYHUBS-UHFFFAOYSA-N 1 0 393.574 7.533 1 0 GKAFRO C[N@@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@]2(C)CCC(=O)CCC1CCCC1 ZINC000006032293 560204693 /nfs/dbraw/zinc/20/46/93/560204693.db2.gz LOYWOYCPSWPKFH-DSNGMDLFSA-N 1 0 383.576 5.236 1 0 in-vitro GKAFRO C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@H+]2C[C@H](C)CC[C@@H]12 ZINC000118936890 571845498 /nfs/dbraw/zinc/84/54/98/571845498.db2.gz JALVTHFTYRPDMB-WCECAUQUSA-N 1 0 399.663 5.735 1 0 endogenous,in-man GKAFRO Cc1nc2c(-c3ccccc3)cnn2c(-c2ccc(Cl)cc2Cl)c1C[NH3+] ZINC000058487382 581092260 /nfs/dbraw/zinc/09/22/60/581092260.db2.gz JJGWNLVUBRWNHF-UHFFFAOYSA-N 1 0 383.282 5.137 1 0 GKAFRO CCC[N@H+](CCCc1ccccc1OC)[C@@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741743 581094333 /nfs/dbraw/zinc/09/43/33/581094333.db2.gz AAYJEWYLPYARLE-OAQYLSRUSA-N 1 0 376.544 5.379 1 0 GKAFRO CSc1nc(-c2ccnc(NCc3cccs3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040380731 581098392 /nfs/dbraw/zinc/09/83/92/581098392.db2.gz JLPTWLXBWHFIGE-UHFFFAOYSA-N 1 0 396.516 5.673 1 0 GKAFRO CSc1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1 ZINC000015936937 210179236 /nfs/dbraw/zinc/17/92/36/210179236.db2.gz QULCFHXKGMRYKR-UHFFFAOYSA-N 1 0 376.530 5.552 3 0 GKAFRO Cc1cc(N)c2cc(NC(=O)c3ccc(CCc4ccccc4)cc3)ccc2[nH+]1 ZINC000013835536 210094588 /nfs/dbraw/zinc/09/45/88/210094588.db2.gz RIKDBGARHGQOFX-UHFFFAOYSA-N 1 0 381.479 5.163 1 0 GKAFRO CCN(CC)c1ccc2nc(Nc3c(C)cccc3Cl)c3c[nH+]cn3c2c1 ZINC000013860317 210094195 /nfs/dbraw/zinc/09/41/95/210094195.db2.gz HEQDOMAIJDBQRG-UHFFFAOYSA-N 1 0 379.895 5.434 1 0 GKAFRO O=C(CC[NH+]1CCCC1)Nc1ccccc1Sc1ccc(Cl)cc1Cl ZINC000013814690 210091515 /nfs/dbraw/zinc/09/15/15/210091515.db2.gz KNVZUNQKXSWGMK-UHFFFAOYSA-N 1 0 395.355 5.569 1 0 GKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1nnc(-c2ccccc2)o1 ZINC000013756864 210088959 /nfs/dbraw/zinc/08/89/59/210088959.db2.gz BTMJKIPIYJYOOV-NMLBUPMWSA-N 1 0 379.891 5.124 1 0 GKAFRO Cc1c(C(=O)c2cccc3ccccc32)c2ccccc2n1CC[NH+]1CCCCC1 ZINC000013742562 210088302 /nfs/dbraw/zinc/08/83/02/210088302.db2.gz QCPFOAJQEVJJES-UHFFFAOYSA-N 1 0 396.534 5.820 1 0 GKAFRO CCCCCC/[NH+]=c1\ccn(Cc2ccc(Cl)cc2)c2cc(Cl)ccc21 ZINC000013741408 210087718 /nfs/dbraw/zinc/08/77/18/210087718.db2.gz NUVAESYZKBWWIC-NJNXFGOHSA-N 1 0 387.354 6.477 1 0 GKAFRO Cc1ccc(C(C(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)c2ccc(C)cc2)cc1 ZINC000013734001 210087039 /nfs/dbraw/zinc/08/70/39/210087039.db2.gz DZJSRGDCPYFRRD-VXKWHMMOSA-N 1 0 392.587 5.205 1 0 GKAFRO CC(C)=CCc1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(CC=C(C)C)c1O ZINC000014589195 291144900 /nfs/dbraw/zinc/14/49/00/291144900.db2.gz MYEROKWORYNFGZ-AIZNXBIQSA-N 1 0 397.559 5.192 1 0 biogenic,in-vitro GKAFRO COc1cc(C)cc2ccc(-c3ccc4c(c3OC)[C@H](C)[NH2+][C@H](C)C4)c(O)c21 ZINC000039031587 291149420 /nfs/dbraw/zinc/14/94/20/291149420.db2.gz ZYBIVXYBCOCORX-CABCVRRESA-N 1 0 377.484 5.133 1 0 biogenic,in-vitro GKAFRO c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000013453511 209234046 /nfs/dbraw/zinc/23/40/46/209234046.db2.gz RBMCSBYYUMIAIO-IZZNHLLZSA-N 1 0 399.534 5.358 1 0 GKAFRO CCOC(=O)C1(c2ccccc2)CC[NH+](C2(c3ccccc3)CCCCC2)CC1 ZINC000005650522 209232295 /nfs/dbraw/zinc/23/22/95/209232295.db2.gz OFTUIURQIJWEPK-UHFFFAOYSA-N 1 0 391.555 5.443 1 0 GKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1Oc1ccc(Cl)cc1 ZINC000005551268 209231972 /nfs/dbraw/zinc/23/19/72/209231972.db2.gz VWUOQUUYSLHJSU-CQSZACIVSA-N 1 0 385.895 5.228 1 0 GKAFRO O=C1c2ccsc2CC[C@H]1CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000003941211 204022513 /nfs/dbraw/zinc/02/25/13/204022513.db2.gz YXDUNIOKKMVMKO-HNNXBMFYSA-N 1 0 398.503 5.043 1 0 GKAFRO CCC[N@@H+]1CCC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)=C[C@@H]1C ZINC000003994992 204022659 /nfs/dbraw/zinc/02/26/59/204022659.db2.gz KSSRXIYWMVGMKJ-KRWDZBQOSA-N 1 0 375.491 5.770 1 0 GKAFRO c1[nH]nc(-c2cc3ccccc3o2)c1C[N@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000011663351 204348841 /nfs/dbraw/zinc/34/88/41/204348841.db2.gz KKHNJYVBFZCNCA-NRFANRHFSA-N 1 0 386.499 5.205 3 0 GKAFRO Cc1ccccc1-c1cc2nc(C)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)n2n1 ZINC000035951057 204999563 /nfs/dbraw/zinc/99/95/63/204999563.db2.gz FQLXYKKCRFSTOE-UHFFFAOYSA-N 1 0 397.309 5.446 1 0 GKAFRO C[NH+](C)CC[C@@]1(c2ccc(Oc3ccccc3)cc2)Cc2ccccc2C(=O)O1 ZINC000038795911 205039117 /nfs/dbraw/zinc/03/91/17/205039117.db2.gz VUUHLMLZEAWBLL-VWLOTQADSA-N 1 0 387.479 5.039 1 0 GKAFRO CCCCC(=O)Oc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)[N@H+](CCC)CC3 ZINC000040395367 205063671 /nfs/dbraw/zinc/06/36/71/205063671.db2.gz MUDQDDJDUSCNJB-OAQYLSRUSA-N 1 0 393.527 5.323 1 0 GKAFRO CC(C)SCc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000045191375 205092482 /nfs/dbraw/zinc/09/24/82/205092482.db2.gz OPXSUFNBPLRTIP-IIBYNOLFSA-N 1 0 377.981 5.236 1 0 GKAFRO Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCC[C@@H]([NH3+])C5)cc4)cc3)nc21 ZINC000045189817 205092746 /nfs/dbraw/zinc/09/27/46/205092746.db2.gz YFXCRNZTDJKZGO-HSZRJFAPSA-N 1 0 396.538 5.128 1 0 GKAFRO NC(=[NH2+])c1cc2cc(-c3cccc(OCc4cccc(Cl)c4)c3)ccc2s1 ZINC000045357873 205095178 /nfs/dbraw/zinc/09/51/78/205095178.db2.gz KLSYBMLSGSWECV-UHFFFAOYSA-N 1 0 392.911 6.085 1 0 GKAFRO C[C@@H](Oc1cccc(-c2ccc3sc(C(N)=[NH2+])cc3c2)c1)c1ccc(F)cc1 ZINC000045358302 205095573 /nfs/dbraw/zinc/09/55/73/205095573.db2.gz YUHYRFPSEMZARA-CQSZACIVSA-N 1 0 390.483 6.131 1 0 GKAFRO COc1ccc(-c2cccc(-c3ccc4sc(C(N)=[NH2+])cc4c3)c2)cc1OC ZINC000045371354 205096417 /nfs/dbraw/zinc/09/64/17/205096417.db2.gz JFCMJIRTDKYDPV-UHFFFAOYSA-N 1 0 388.492 5.537 1 0 GKAFRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC1=C2C=CC=C[C@@H]2Sc2ccccc21 ZINC000045393152 205097444 /nfs/dbraw/zinc/09/74/44/205097444.db2.gz SHPQJAIWQPNBND-HXOBKFHXSA-N 1 0 393.983 6.305 1 0 GKAFRO C[NH2+][C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000040862283 205073718 /nfs/dbraw/zinc/07/37/18/205073718.db2.gz NGHVJLRUSLKWSV-PXBBAZSNSA-N 1 0 399.707 7.616 1 0 GKAFRO c1ccc(C2=C(c3ccc(OCC[NH+]4CCC4)cc3)c3ccccc3OCC2)cc1 ZINC000040897210 205074692 /nfs/dbraw/zinc/07/46/92/205074692.db2.gz PBDYRWMRRDLJLD-UHFFFAOYSA-N 1 0 397.518 5.513 1 0 GKAFRO CC[C@@H](C)[C@H](C)C[NH+]1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000040953289 205075665 /nfs/dbraw/zinc/07/56/65/205075665.db2.gz LQGKZOUJIJEIKU-HUUCEWRRSA-N 1 0 385.379 5.117 1 0 GKAFRO C[N@H+]1C(C)(C)C=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1(C)C ZINC000049072351 205124964 /nfs/dbraw/zinc/12/49/64/205124964.db2.gz SDJKTRLZFNOBTM-UHFFFAOYSA-N 1 0 389.518 6.159 1 0 GKAFRO C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(-c3cccc(N)c3)ccc21 ZINC000062224778 205186072 /nfs/dbraw/zinc/18/60/72/205186072.db2.gz KDRRURQANSXWJL-RUZDIDTESA-N 1 0 390.502 5.191 1 0 GKAFRO Fc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2c2ccc(F)cc2)[N@@H+]3Cc2ccccc2)cc1 ZINC000058604263 205176273 /nfs/dbraw/zinc/17/62/73/205176273.db2.gz BFSNZDLQLAIWKQ-RSYZFUPGSA-N 1 0 389.489 6.269 1 0 GKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3cccc(N)c3)ccc21 ZINC000058583576 205176552 /nfs/dbraw/zinc/17/65/52/205176552.db2.gz KDRRURQANSXWJL-VWLOTQADSA-N 1 0 390.502 5.191 1 0 GKAFRO CC(=O)c1cc2cccc(O[C@]3(C)CC[N@H+](Cc4ccc5ccccc5c4)C3)c2o1 ZINC000061929995 205184319 /nfs/dbraw/zinc/18/43/19/205184319.db2.gz VQMXYBCDEGPIPQ-AREMUKBSSA-N 1 0 399.490 5.832 3 0 GKAFRO CC[C@H](C)[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(OC)c1 ZINC000072118199 205304495 /nfs/dbraw/zinc/30/44/95/205304495.db2.gz WWCILMQVGHYLTQ-BUXKBTBVSA-N 1 0 392.330 5.446 1 0 GKAFRO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)cc1 ZINC000072118754 205305128 /nfs/dbraw/zinc/30/51/28/205305128.db2.gz LFQMBWSXXFSDTD-XIKOKIGWSA-N 1 0 395.856 5.803 1 0 GKAFRO CC[C@H](C)[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(C)c1 ZINC000072118857 205305327 /nfs/dbraw/zinc/30/53/27/205305327.db2.gz WENWQNDVFJOVFQ-DJJJIMSYSA-N 1 0 376.331 5.746 1 0 GKAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000072183645 205317646 /nfs/dbraw/zinc/31/76/46/205317646.db2.gz HDVPJZZMSJNGPE-KRWDZBQOSA-N 1 0 398.934 6.846 1 0 GKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)C2 ZINC000103270932 205645355 /nfs/dbraw/zinc/64/53/55/205645355.db2.gz IEGSLXIOIORDKJ-OOSNJVJTSA-N 1 0 394.317 5.864 1 0 GKAFRO CC[C@H](C)Sc1nc2c(cc(-c3ccccc3)n2-c2ccccc2)c(=[NH2+])s1 ZINC000169313047 211633706 /nfs/dbraw/zinc/63/37/06/211633706.db2.gz KZGLVMURNDIVDD-HNNXBMFYSA-N 1 0 391.565 6.124 1 0 GKAFRO CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+]Cc3ccc(F)cc3)CCC[C@]21C ZINC000004666712 211551736 /nfs/dbraw/zinc/55/17/36/211551736.db2.gz LCFXIWMDHGFFFS-GMQQYTKMSA-N 1 0 393.590 6.749 2 0 GKAFRO Clc1ccc(C2=NO[C@H](c3c[nH]c4ccccc43)[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000103289255 211428657 /nfs/dbraw/zinc/42/86/57/211428657.db2.gz AOJJRXTYSMYTAW-NFBKMPQASA-N 1 0 393.918 5.399 1 0 GKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(c1ccccc1)c1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC000100759258 211391481 /nfs/dbraw/zinc/39/14/81/211391481.db2.gz FJOILEPIGZXBDJ-NUNAXRQHSA-N 1 0 392.543 5.405 1 0 GKAFRO Clc1cccc(Cn2c3ccccc3c3cc[n+](Cc4ccccc4)cc32)c1 ZINC000096922765 211351055 /nfs/dbraw/zinc/35/10/55/211351055.db2.gz SKTDFBSOYJNQIL-UHFFFAOYSA-N 1 0 383.902 5.832 1 0 GKAFRO C[N@@H+](Cc1ccc(I)cc1)C[C@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000095560664 211277297 /nfs/dbraw/zinc/27/72/97/211277297.db2.gz KNVBEUMTQORZCV-MDZRGWNJSA-N 1 0 397.344 5.185 1 0 GKAFRO c1ccc(C([NH2+]C2CCCCC2)(c2ccccc2)c2ccc3ccccc3c2)cc1 ZINC000084688616 211173655 /nfs/dbraw/zinc/17/36/55/211173655.db2.gz SKSLYNYGTNYDQJ-UHFFFAOYSA-N 1 0 391.558 7.054 1 0 GKAFRO O=C(/C=C/c1ccccc1C(F)(F)F)Nc1ccc2c(c1)[C@@H]1CCC[N@H+]1CC2 ZINC000084687346 211173535 /nfs/dbraw/zinc/17/35/35/211173535.db2.gz QEGLTNNQTQPAIP-MFUYTVRRSA-N 1 0 386.417 5.050 1 0 GKAFRO Clc1ccc(C[C@@H]2Cc3ccccc3[C@H]2[NH2+]Cc2ccccc2)c(Cl)c1 ZINC000082159675 211164436 /nfs/dbraw/zinc/16/44/36/211164436.db2.gz BQZJSRHWHVIONO-CVDCTZTESA-N 1 0 382.334 6.239 1 0 GKAFRO C[C@@H](c1ccccc1)[N@@H+]1C[C@](C)(c2ccccc2)N(O)[C@@H](c2ccccc2)[C@@H]1C ZINC000073351211 211127775 /nfs/dbraw/zinc/12/77/75/211127775.db2.gz JUGSFJFMUZGDPP-KPOMPZIKSA-N 1 0 386.539 5.800 1 0 GKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(OCc3ccc(C)cc3)cc2)n1 ZINC000072182530 211081411 /nfs/dbraw/zinc/08/14/11/211081411.db2.gz NCJXUSLIKMXPJD-HXUWFJFHSA-N 1 0 392.543 6.287 1 0 GKAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(OCc3ccc(C)cc3)cc2)n1 ZINC000072182531 211082122 /nfs/dbraw/zinc/08/21/22/211082122.db2.gz NCJXUSLIKMXPJD-FQEVSTJZSA-N 1 0 392.543 6.287 1 0 GKAFRO NC(=O)c1c[nH+]c(NC2CCCCC2)c2c3ccc(-c4ccccc4)cc3[nH]c21 ZINC000072125179 211072064 /nfs/dbraw/zinc/07/20/64/211072064.db2.gz DTQRFFQRMXUVRB-UHFFFAOYSA-N 1 0 384.483 5.227 1 0 GKAFRO O=C(Nc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(Cl)cc1 ZINC000066128990 211001626 /nfs/dbraw/zinc/00/16/26/211001626.db2.gz SONHVPLGNLUBDM-UHFFFAOYSA-N 1 0 376.887 5.151 1 0 GKAFRO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCC[C@H]1CCC[NH2+]C1 ZINC000013780293 206999539 /nfs/dbraw/zinc/99/95/39/206999539.db2.gz WAIGOCMMTMZHTI-GOSISDBHSA-N 1 0 397.950 5.357 1 0 GKAFRO O[C@H]1CCCc2[nH+]c3cc(F)ccc3c(NCc3ccccc3C(F)(F)F)c21 ZINC000014946528 207032100 /nfs/dbraw/zinc/03/21/00/207032100.db2.gz LSWZHJUDTDSZPN-SFHVURJKSA-N 1 0 390.380 5.375 1 0 GKAFRO CC[C@@]12CCC[N@H+](Cc3ccccc3)[C@@H]1c1c3ccccc3n(C)c1[C@@H](CO)C2 ZINC000017215814 207087620 /nfs/dbraw/zinc/08/76/20/207087620.db2.gz DFSFUXVZVGGWRV-VANUSSGQSA-N 1 0 388.555 5.391 1 0 GKAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](c1cc(-c3ccccc3)no1)[C@H](c1ccc(Cl)cc1)C2 ZINC000026660320 207318343 /nfs/dbraw/zinc/31/83/43/207318343.db2.gz ZGCYMNJHHKQEGA-SQVLJLFZSA-N 1 0 378.903 5.729 1 0 GKAFRO C(CN1C2=[NH+]C[C@@H](C3CCCCC3)N2C[C@@H]1C1CCCCC1)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000027203084 207323302 /nfs/dbraw/zinc/32/33/02/207323302.db2.gz XVHHJJWYEWXZAL-WQPRPRDESA-N 1 0 397.651 5.698 1 0 GKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3cccnc3n2)cc1 ZINC000026375795 207313567 /nfs/dbraw/zinc/31/35/67/207313567.db2.gz SLKSGUOESDARMK-UHFFFAOYSA-N 1 0 380.536 5.067 1 0 GKAFRO Fc1ccc(C2(c3ccc(F)cc3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 ZINC000026580165 207316637 /nfs/dbraw/zinc/31/66/37/207316637.db2.gz AQIYWMSXJMPZNJ-IZZNHLLZSA-N 1 0 396.460 5.677 1 0 GKAFRO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCC[N@@H+]3CCC[C@H]4CCCC[C@@H]43)[C@@H]12 ZINC000028003399 207333861 /nfs/dbraw/zinc/33/38/61/207333861.db2.gz GZCFTOXAOVPCDV-HBRJAMFXSA-N 1 0 387.608 5.425 1 0 GKAFRO Cc1ccc(CO[C@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1 ZINC000027527283 207325201 /nfs/dbraw/zinc/32/52/01/207325201.db2.gz MCHFVMZJGMVKRA-IZLXSDGUSA-N 1 0 397.562 5.807 1 0 GKAFRO CC(C)n1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)OC3CCCCC3)C[N@H+](C)[C@@H]1C2 ZINC000027520669 207325877 /nfs/dbraw/zinc/32/58/77/207325877.db2.gz WYMDUSBVNGEBHS-JMUQELJHSA-N 1 0 394.559 5.058 1 0 GKAFRO c1[nH]c2ccccc2c1CCC[NH2+]C[C@@H]1CN(c2ccccc2)c2ccccc2O1 ZINC000028571957 207344913 /nfs/dbraw/zinc/34/49/13/207344913.db2.gz JLADDBQTFBJPPQ-JOCHJYFZSA-N 1 0 397.522 5.289 1 0 GKAFRO OC1(c2ccccc2)CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028708204 207346757 /nfs/dbraw/zinc/34/67/57/207346757.db2.gz SOLFPCMRRJJYRY-HSZRJFAPSA-N 1 0 377.915 5.413 1 0 GKAFRO O=C(Nc1cccc2ccccc21)NC1CC[NH+](CC2=CCCCCCC2)CC1 ZINC000028708480 207347020 /nfs/dbraw/zinc/34/70/20/207347020.db2.gz QFMQHSXGYNPHQM-UHFFFAOYSA-N 1 0 391.559 5.706 1 0 GKAFRO C[NH+](C)CCOc1ccc2ccccc2c1[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000028955565 207353731 /nfs/dbraw/zinc/35/37/31/207353731.db2.gz CJBNBYDUYNCOGG-AREMUKBSSA-N 1 0 399.509 6.100 1 0 GKAFRO O=C(Nc1ccccc1)Nc1ccc([C@@H]2C[N@@H+]3CCC[C@H]3c3ccccc32)cc1 ZINC000029240175 207359086 /nfs/dbraw/zinc/35/90/86/207359086.db2.gz IEUDFLVLULWXJM-ZEQRLZLVSA-N 1 0 383.495 5.613 1 0 GKAFRO Clc1ccc([C@@H]2C[C@H]([NH2+]CCc3ccccc3)c3ccccc32)cc1Cl ZINC000029481876 207361737 /nfs/dbraw/zinc/36/17/37/207361737.db2.gz XSLGKOUEZLIOND-REWPJTCUSA-N 1 0 382.334 6.402 1 0 GKAFRO NC(=[NH2+])[C@@H]1CCCN1C(=O)CCCCCCCCCCOCC1CCCCC1 ZINC000071295024 207934411 /nfs/dbraw/zinc/93/44/11/207934411.db2.gz VQKTXRMNEKTTSY-NRFANRHFSA-N 1 0 393.616 5.021 1 0 GKAFRO Clc1ccc(N2CCC[N@H+](CCCc3nc4ccccc4s3)CC2)cc1 ZINC000073200411 208034580 /nfs/dbraw/zinc/03/45/80/208034580.db2.gz OUSOPIMSKOMYQI-UHFFFAOYSA-N 1 0 385.964 5.095 1 0 GKAFRO CCNc1nc(NCC)c(/C=C\C(C)(C)c2ccc(C(F)(F)F)cc2)c(C)[nH+]1 ZINC000084739344 208098754 /nfs/dbraw/zinc/09/87/54/208098754.db2.gz GALJJIOKQTWZKF-SEYXRHQNSA-N 1 0 392.469 5.658 1 0 GKAFRO Fc1ccc2sc(NCCC[NH2+]Cc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000084617951 208092544 /nfs/dbraw/zinc/09/25/44/208092544.db2.gz BHOCWPJXUWFLID-UHFFFAOYSA-N 1 0 384.307 5.334 1 0 GKAFRO O=C(/C=C/c1ccccc1C(F)(F)F)Nc1ccc2c(c1)[C@H]1CCC[N@H+]1CC2 ZINC000084687347 208094832 /nfs/dbraw/zinc/09/48/32/208094832.db2.gz QEGLTNNQTQPAIP-CSNYQSHPSA-N 1 0 386.417 5.050 1 0 GKAFRO C[NH2+]CCC[C@]1(C)Cc2ccccc2N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000028528549 210528029 /nfs/dbraw/zinc/52/80/29/210528029.db2.gz RQBVJCCLVRZSFV-HXUWFJFHSA-N 1 0 377.315 5.220 1 0 GKAFRO Cc1cc(C)c2nc(Nc3ccc(Cl)cc3)cc([C@H](O)[C@H]3CCCC[NH2+]3)c2c1 ZINC000027523445 210514222 /nfs/dbraw/zinc/51/42/22/210514222.db2.gz JJHWPPCEUOZIFP-OFNKIYASSA-N 1 0 395.934 5.424 1 0 GKAFRO Brc1cccc2c1N[C@@H]1[C@H]2CC[NH2+][C@@H]1Cc1cccc2ccccc21 ZINC000026659057 210502893 /nfs/dbraw/zinc/50/28/93/210502893.db2.gz HRBOWYCAJNJYQJ-CZTZKLFOSA-N 1 0 393.328 5.085 1 0 GKAFRO COc1cc2ccc(C34CC5CC(CC(C5)C3)C4)nc2c(N[C@@H](C)CCC[NH3+])c1 ZINC000026726346 210502517 /nfs/dbraw/zinc/50/25/17/210502517.db2.gz APZCHSVFDBPQAX-DUXBZUBYSA-N 1 0 393.575 5.251 1 0 GKAFRO Clc1cccc(C[NH2+]CC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1 ZINC000096940344 208331316 /nfs/dbraw/zinc/33/13/16/208331316.db2.gz WFDROGGCSKQUSJ-JOCHJYFZSA-N 1 0 384.951 5.276 1 0 GKAFRO C[C@@H]([NH2+]CC[C@@]1(c2ccc(F)cc2)CCOC2(CCCC2)C1)c1ccccc1 ZINC000096940340 208331812 /nfs/dbraw/zinc/33/18/12/208331812.db2.gz XCESYEVAPKMFLS-HYBUGGRVSA-N 1 0 381.535 5.928 1 0 GKAFRO CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCC[C@@H](O)[NH2+]C(C)(C)CO ZINC000169329351 208731459 /nfs/dbraw/zinc/73/14/59/208731459.db2.gz AFDIXUDCQBFWPO-MDSFHTKUSA-N 1 0 377.613 5.811 1 0 GKAFRO Cc1ccccc1-[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005422899 220866665 /nfs/dbraw/zinc/86/66/65/220866665.db2.gz PGSODXZMSNRFGA-UHFFFAOYSA-N 1 0 398.529 7.273 3 0 GKAFRO CC(C)[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013152589 221262830 /nfs/dbraw/zinc/26/28/30/221262830.db2.gz XANBEVHQLOSTKB-HVWQDESWSA-N 1 0 385.551 5.965 1 0 GKAFRO Cc1cccc2nc(COc3ccc(Cl)cc3)n(CCC[C@H]3CCC[NH2+]C3)c21 ZINC000013780295 221288114 /nfs/dbraw/zinc/28/81/14/221288114.db2.gz JYHSAWORPZWUIB-GOSISDBHSA-N 1 0 397.950 5.357 1 0 GKAFRO Cc1cccc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000013744492 221286577 /nfs/dbraw/zinc/28/65/77/221286577.db2.gz IMZAFOWPUFTKBQ-VSGBNLITSA-N 1 0 397.562 5.807 1 0 GKAFRO CC(C)[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000096273165 136186061 /nfs/dbraw/zinc/18/60/61/136186061.db2.gz MFGUHCMIQYGCHW-UHFFFAOYSA-N 1 0 399.538 5.136 1 0 GKAFRO C(=C(\c1ccccc1)C1CC[NH+](CCCCc2ccccc2)CC1)\c1ccccc1 ZINC000028224797 221669740 /nfs/dbraw/zinc/66/97/40/221669740.db2.gz VLHWNWAZGMFWKE-RMLRFSFXSA-N 1 0 395.590 6.962 1 0 GKAFRO COc1ccc(C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000039233840 221887724 /nfs/dbraw/zinc/88/77/24/221887724.db2.gz NXCMABMCUAEOJJ-SANMLTNESA-N 1 0 392.587 5.319 1 0 GKAFRO [NH3+][C@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061904094 222062184 /nfs/dbraw/zinc/06/21/84/222062184.db2.gz LITATGSYLOYZQU-CYBMUJFWSA-N 1 0 398.841 5.196 3 0 GKAFRO CN1OC[C@@H]2C[N@H+](Cc3ccccc3)[C@H](c3cccc(-c4ccccc4)c3)C[C@@H]21 ZINC000061924006 222063998 /nfs/dbraw/zinc/06/39/98/222063998.db2.gz GRJZOUAOTRIPOJ-GSDHBNRESA-N 1 0 384.523 5.162 3 0 GKAFRO O=C(Nc1ccc(Cl)cc1)c1ccc(CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000066139462 222139551 /nfs/dbraw/zinc/13/95/51/222139551.db2.gz PFWKCRBPHMRNAX-UHFFFAOYSA-N 1 0 390.914 5.193 1 0 GKAFRO CC(C)C[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1 ZINC000072116913 222207108 /nfs/dbraw/zinc/20/71/08/222207108.db2.gz YBQMECGFTQJUJQ-INIZCTEOSA-N 1 0 395.856 5.803 1 0 GKAFRO CC(C)CC[NH2+][C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072134977 222210189 /nfs/dbraw/zinc/21/01/89/222210189.db2.gz MWIYLVBKZBCYBV-CGHWZSTFSA-N 1 0 387.652 6.239 1 0 GKAFRO CC1(C)[C@@H]2C[C@H]1[C@H](C[NH2+]Cc1coc(-c3ccc(-c4ccccc4)cc3)n1)CC2 ZINC000072141356 222211041 /nfs/dbraw/zinc/21/10/41/222211041.db2.gz SWCIMISQPZZPLL-FIXSFTCYSA-N 1 0 386.539 6.171 1 0 GKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(Oc3ccc(C)cc3)cc2)n1 ZINC000072182413 222216234 /nfs/dbraw/zinc/21/62/34/222216234.db2.gz QTYMZQSKUJYHPY-LJQANCHMSA-N 1 0 378.516 6.501 1 0 GKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1cccc(Cl)c1 ZINC000082154534 222311357 /nfs/dbraw/zinc/31/13/57/222311357.db2.gz HYDSNRZWSIEOJV-OAHLLOKOSA-N 1 0 399.922 5.537 1 0 GKAFRO C[NH+](C)Cc1cn(C(=O)N2c3ccccc3Sc3ccccc32)c2ccccc12 ZINC000095588862 536053113 /nfs/dbraw/zinc/05/31/13/536053113.db2.gz JVRQGZJKQIDWRO-UHFFFAOYSA-N 1 0 399.519 5.974 1 0 GKAFRO CN(Cc1ccnc(Sc2ccccc2)c1)c1ccc2c3c(cccc31)C(=[NH2+])N2 ZINC000013741453 581095539 /nfs/dbraw/zinc/09/55/39/581095539.db2.gz GORZOWYEDIMCFN-UHFFFAOYSA-N 1 0 396.519 5.373 1 0 GKAFRO Cc1cc(N)c2cc(NC(=O)c3cccc(CCc4ccccc4)c3)ccc2[nH+]1 ZINC000013835535 210093439 /nfs/dbraw/zinc/09/34/39/210093439.db2.gz ODZDRZHJDZKKNV-UHFFFAOYSA-N 1 0 381.479 5.163 1 0 GKAFRO C[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000013835792 210093506 /nfs/dbraw/zinc/09/35/06/210093506.db2.gz UDCVQVNMMCKETF-NZQKXSOJSA-N 1 0 382.334 6.702 1 0 GKAFRO O[C@@H](C[N@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2)c1c(Cl)cccc1Cl ZINC000013766715 210090911 /nfs/dbraw/zinc/09/09/11/210090911.db2.gz YZSQCQQXQNXTIO-KRXYWNSISA-N 1 0 376.327 5.437 1 0 GKAFRO Clc1ccc(OCc2nc3ccccc3n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780287 210090606 /nfs/dbraw/zinc/09/06/06/210090606.db2.gz IERFYIGMJQXNDH-QGZVFWFLSA-N 1 0 383.923 5.049 1 0 GKAFRO CC1=C(CC[NH+]2CCOCC2)c2ccccc2/C1=C\c1cccc2ccccc12 ZINC000013782399 210089542 /nfs/dbraw/zinc/08/95/42/210089542.db2.gz XVYHROZUQPHJKX-DIBXZPPDSA-N 1 0 381.519 5.890 1 0 GKAFRO Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1CC[NH+](CCc2ccccc2)CC1 ZINC000013755888 210087811 /nfs/dbraw/zinc/08/78/11/210087811.db2.gz GNGQVEIKYIVCPC-UHFFFAOYSA-N 1 0 379.935 5.461 1 0 GKAFRO C[NH+](C)CC[C@@H](OC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 ZINC000013684804 210079720 /nfs/dbraw/zinc/07/97/20/210079720.db2.gz BYXDKMUOJWVBEJ-HXUWFJFHSA-N 1 0 388.939 5.879 1 0 GKAFRO C[NH+](C)CC[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000013684602 210080111 /nfs/dbraw/zinc/08/01/11/210080111.db2.gz YHRSEUQZWUCVBE-KRWDZBQOSA-N 1 0 385.813 5.209 1 0 GKAFRO O=C1Cc2ccccc2N1C1CC[NH+](C(C2CCCCC2)C2CCCCC2)CC1 ZINC000013579346 210068593 /nfs/dbraw/zinc/06/85/93/210068593.db2.gz PXFVUZDVIRDKOZ-UHFFFAOYSA-N 1 0 394.603 5.569 1 0 GKAFRO COc1cc(Nc2cc[nH+]c3cc(OC)c(OC)cc23)c(Cl)cc1Cl ZINC000013470111 210063076 /nfs/dbraw/zinc/06/30/76/210063076.db2.gz AERMIYOZZGPJIO-UHFFFAOYSA-N 1 0 379.243 5.311 1 0 GKAFRO Fc1ccc(C[NH2+][C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1 ZINC000013489688 210062470 /nfs/dbraw/zinc/06/24/70/210062470.db2.gz PZUVPFOEYUKFCA-ZEQRLZLVSA-N 1 0 375.487 5.295 1 0 GKAFRO