smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cc1ccc(Br)cc1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000003775811 204110051 /nfs/dbraw/zinc/11/00/51/204110051.db2.gz FQMJNNUMEYMJCW-QGZVFWFLSA-N 1 0 365.315 3.469 1 0 FGAFRO C=C(c1cc(Cl)c(Cl)cc1OC[C@@H](O)C[NH2+]C(C)C)n1ccnc1 ZINC000040503657 205071430 /nfs/dbraw/zinc/07/14/30/205071430.db2.gz VKKKAZNAQXHEOG-ZDUSSCGKSA-N 1 0 370.280 3.447 1 0 FGAFRO Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCC[NH+](C)C)sc21 ZINC000045230718 205119459 /nfs/dbraw/zinc/11/94/59/205119459.db2.gz VMNFCLSQNHTBDX-UHFFFAOYSA-N 1 0 362.886 3.247 1 0 FGAFRO O=C(c1ccccc1Cn1cnc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000045367299 205121920 /nfs/dbraw/zinc/12/19/20/205121920.db2.gz AQFLIGYSWVGMOU-LJQANCHMSA-N 1 0 374.488 3.395 1 0 FGAFRO Cn1c(=O)c2sc(-c3ccccc3)cc2nc1NCC[NH+]1CCCC1 ZINC000061897165 205288488 /nfs/dbraw/zinc/28/84/88/205288488.db2.gz QHDPTNRBRSDAOO-UHFFFAOYSA-N 1 0 354.479 3.170 3 0 FGAFRO O=C(c1cn2c3c1cccc3OC[C@H]2C1CCCCC1)N1CC[NH2+]CC1 ZINC000058599979 205276664 /nfs/dbraw/zinc/27/66/64/205276664.db2.gz QWFHZLVKTPWZBG-SFHVURJKSA-N 1 0 353.466 3.201 1 0 FGAFRO O=C1C[C@@H](OCc2ccccc2)C[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000066078297 205362122 /nfs/dbraw/zinc/36/21/22/205362122.db2.gz NIZDXKKKAUREEY-WXOXAHCZSA-N 1 0 354.494 3.067 1 0 FGAFRO C[NH+](C)[C@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2F)C1 ZINC000095557441 205789190 /nfs/dbraw/zinc/78/91/90/205789190.db2.gz HNOJMKKDNZJMSI-AWEZNQCLSA-N 1 0 372.465 3.436 1 0 FGAFRO COc1cc(C[C@H]2[NH2+]CC[C@@H]3CC(=O)C(=O)C(F)[C@@H]32)cc(OC)c1OC ZINC000169305882 206249700 /nfs/dbraw/zinc/24/97/00/206249700.db2.gz ZSESSFIOOIMOHZ-HSMVNMDESA-N 1 0 365.401 3.044 1 0 FGAFRO Cc1noc(C)c1C(=O)N1CCC2(CC1)CC[NH+](Cc1nccs1)CC2 ZINC000004238107 204128179 /nfs/dbraw/zinc/12/81/79/204128179.db2.gz HGQGUMCIENCSPZ-UHFFFAOYSA-N 1 0 374.510 3.266 1 0 FGAFRO C[NH+](C)CCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 ZINC000005140463 204194051 /nfs/dbraw/zinc/19/40/51/204194051.db2.gz QWEJEQQJNBKACP-UHFFFAOYSA-N 1 0 365.868 3.376 1 0 FGAFRO O=c1c(-c2ccccc2)cccn1[C@@H](C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000036190489 205006746 /nfs/dbraw/zinc/00/67/46/205006746.db2.gz NZNYFHPTQFALGO-UNMCSNQZSA-N 1 0 360.457 3.171 1 0 FGAFRO COc1cc2c[n+]3c(cc2c(OC)c1OC)-c1cc2c(cc1CC3)OCO2 ZINC000040877839 205083771 /nfs/dbraw/zinc/08/37/71/205083771.db2.gz QODCFUJBGVPWID-UHFFFAOYSA-N 1 0 366.393 3.105 1 0 FGAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]2C1 ZINC000040466786 205071274 /nfs/dbraw/zinc/07/12/74/205071274.db2.gz DZQHCYXCIBSBAB-CHWSQXEVSA-N 1 0 351.878 3.068 1 0 FGAFRO C=C(c1ccccc1OC[C@@H](O)C[NH2+]C(C)C)n1cnc2ccccc21 ZINC000040632042 205074737 /nfs/dbraw/zinc/07/47/37/205074737.db2.gz FLEMQGFHIVRJLM-KRWDZBQOSA-N 1 0 351.450 3.293 1 0 FGAFRO [NH3+]CCC(=O)N1CCc2c3cccc(Cl)c3[nH]c2[C@@H]1c1cccc(O)c1 ZINC000049589025 205174520 /nfs/dbraw/zinc/17/45/20/205174520.db2.gz YKGYNBPZQNNYOZ-FQEVSTJZSA-N 1 0 369.852 3.350 1 0 FGAFRO C[C@H]([NH3+])C(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1cccc(O)c1 ZINC000049938534 205176915 /nfs/dbraw/zinc/17/69/15/205176915.db2.gz SSEQCILHYYXXBA-JEOXALJRSA-N 1 0 369.852 3.348 1 0 FGAFRO C[C@H]1[C@H](C)C(=O)[C@@H]2Oc3c4c(ccc3O)C[C@@H]3[C@@H]1[C@@]42CC[N@@H+]3CC1CCC1 ZINC000169367600 206253992 /nfs/dbraw/zinc/25/39/92/206253992.db2.gz HWXCULOUOMXWMG-BGHAAAKCSA-N 1 0 367.489 3.293 1 0 FGAFRO COc1cc(OC)c2c(c1)oc(-c1ccc(OCCC[NH3+])cc1)cc2=O ZINC000169351474 206252833 /nfs/dbraw/zinc/25/28/33/206252833.db2.gz BMJSWWZJEUWLLJ-UHFFFAOYSA-N 1 0 355.390 3.205 1 0 FGAFRO C[NH+](C)[C@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000060325489 221128984 /nfs/dbraw/zinc/12/89/84/221128984.db2.gz OUNBLQAENNVCQS-HNNXBMFYSA-N 1 0 372.465 3.436 1 0 FGAFRO C[NH2+]CCC[C@@H]1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O ZINC000049784301 136123940 /nfs/dbraw/zinc/12/39/40/136123940.db2.gz CLLQMGVKRYVVFS-OAHLLOKOSA-N 1 0 366.433 3.357 1 0 FGAFRO Cc1c2oc(C[NH+]3CCCC3)cc2cc2c(=O)cc(N3CCOCC3)oc12 ZINC000026577588 136153174 /nfs/dbraw/zinc/15/31/74/136153174.db2.gz GAHOWOFWGXOFQO-UHFFFAOYSA-N 1 0 368.433 3.280 1 0 FGAFRO Cc1c(CNc2cccc(Br)c2)ccc2[nH+]c(N)nc(N)c12 ZINC000001768097 204018368 /nfs/dbraw/zinc/01/83/68/204018368.db2.gz QKZKYIOLHFHUEQ-UHFFFAOYSA-N 1 0 358.243 3.477 1 0 FGAFRO COc1ccc(CC[NH2+]CCC[C@H]2CNc3ccccc3O2)cc1OC ZINC000013780755 204553296 /nfs/dbraw/zinc/55/32/96/204553296.db2.gz SVIBWPSEDUZBLE-KRWDZBQOSA-N 1 0 356.466 3.489 1 0 FGAFRO O=S(=O)(c1ccccc1F)n1cc(C2=CCC[NH2+]C2)c2ccccc21 ZINC000028525895 204884800 /nfs/dbraw/zinc/88/48/00/204884800.db2.gz JRYJFXSUNKFRJM-UHFFFAOYSA-N 1 0 356.422 3.394 1 0 FGAFRO C[NH+](C)[C@@H]1CCc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2C1 ZINC000036423597 205015624 /nfs/dbraw/zinc/01/56/24/205015624.db2.gz CWBIPQBBUVOYGP-MRXNPFEDSA-N 1 0 354.475 3.297 1 0 FGAFRO C=C(c1c(C)ccc(Cl)c1OC[C@@H](O)C[NH2+]C(C)(C)C)n1ccnc1 ZINC000040466754 205071998 /nfs/dbraw/zinc/07/19/98/205071998.db2.gz ANKGPSXFXHCLHL-HNNXBMFYSA-N 1 0 363.889 3.492 1 0 FGAFRO CC[NH2+]C[C@@H](O)[C@H](c1ccccc1)n1c2cc(F)ccc2n(C(C)C)c1=O ZINC000043121046 205101249 /nfs/dbraw/zinc/10/12/49/205101249.db2.gz IQUFPTOFVDDVOF-UXHICEINSA-N 1 0 371.456 3.083 1 0 FGAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCOCC1 ZINC000059262788 205279677 /nfs/dbraw/zinc/27/96/77/205279677.db2.gz RIVHKFKXQNJYDP-PXNSSMCTSA-N 1 0 371.525 3.423 1 0 FGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000103225237 205988019 /nfs/dbraw/zinc/98/80/19/205988019.db2.gz CTWBAHNLIQXLPU-QFIPXVFZSA-N 1 0 366.505 3.360 1 0 FGAFRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(Cl)ccc1OCC(F)(F)F ZINC000169329190 206252651 /nfs/dbraw/zinc/25/26/51/206252651.db2.gz KUYMGCQUHMFDDI-NSHDSACASA-N 1 0 350.768 3.153 1 0 FGAFRO O=C1c2ccccc2C(=O)N1c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000001639169 204014971 /nfs/dbraw/zinc/01/49/71/204014971.db2.gz XNVUOPFLRRDEEI-UHFFFAOYSA-N 1 0 350.418 3.352 1 0 FGAFRO CC[C@@]12CCC[N@@H+]3CC[C@@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@H]4CC1)[C@H]32 ZINC000007998065 204313815 /nfs/dbraw/zinc/31/38/15/204313815.db2.gz CITPXCNSMZMNIW-UPZYVNNASA-N 1 0 370.493 3.432 1 0 FGAFRO C[N@@H+]1CC[C@@]23c4c5c(Nc6ccccc6)ccc4C[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5 ZINC000013813274 204555331 /nfs/dbraw/zinc/55/53/31/204555331.db2.gz BLCLKJDNXQERRY-QHFYENJSSA-N 1 0 360.457 3.236 1 0 FGAFRO O=S(=O)(c1ccc(F)cc1)n1cc(C2=CCC[NH2+]C2)c2ccccc21 ZINC000028526550 204884065 /nfs/dbraw/zinc/88/40/65/204884065.db2.gz PKSXYHMBORWHAI-UHFFFAOYSA-N 1 0 356.422 3.394 1 0 FGAFRO COc1cccc2c1[C@@H]1CC[N@H+](CCNC(=O)c3ccc(F)cc3)C[C@@H]1C2 ZINC000036187739 205008061 /nfs/dbraw/zinc/00/80/61/205008061.db2.gz RDKHMRVCUUWLNS-PKOBYXMFSA-N 1 0 368.452 3.226 1 0 FGAFRO CO[C@H]1Cc2sc(CO)cc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000053295224 205191746 /nfs/dbraw/zinc/19/17/46/205191746.db2.gz AQFKRSCFWQXDAD-LJQANCHMSA-N 1 0 359.491 3.277 1 0 FGAFRO CC(=O)Nc1ccc(Cc2ccc(NC(=O)C[NH+]3CCCC3)cc2)cc1 ZINC000066079029 205362720 /nfs/dbraw/zinc/36/27/20/205362720.db2.gz NVIZBOINSGBEAP-UHFFFAOYSA-N 1 0 351.450 3.270 1 0 FGAFRO O=C1O[C@@H](c2ccccc2Cl)CN1c1cccc(N2CC[NH2+]CC2)c1 ZINC000169347326 132261748 /nfs/dbraw/zinc/26/17/48/132261748.db2.gz ZQDZOAYNWRSFDS-GOSISDBHSA-N 1 0 357.841 3.448 1 0 FGAFRO CCOc1ccc2[nH+]c(C)cc(N3CCN(C(=O)c4ccco4)CC3)c2c1 ZINC000040973295 535442755 /nfs/dbraw/zinc/44/27/55/535442755.db2.gz SKIMAWJZDXFYKF-UHFFFAOYSA-N 1 0 365.433 3.497 1 0 FGAFRO COC(=O)c1cc(Cl)cnc1N1CCC([NH2+]C2CCCCC2)CC1 ZINC000169303956 536499692 /nfs/dbraw/zinc/49/96/92/536499692.db2.gz GRLXORJUIODJLW-UHFFFAOYSA-N 1 0 351.878 3.413 1 0 FGAFRO CC[n+]1cc2cc(OC)c(OC)cc2c2c1-c1cc3c(cc1C2)OCO3 ZINC000000588521 219304972 /nfs/dbraw/zinc/30/49/72/219304972.db2.gz GHWNYSISFQXZTR-UHFFFAOYSA-N 1 0 350.394 3.464 1 0 FGAFRO CC(C)CC[N@H+](C)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002499797 204042727 /nfs/dbraw/zinc/04/27/27/204042727.db2.gz QZFDUVVFPRJMFN-UHFFFAOYSA-N 1 0 358.935 3.471 1 0 FGAFRO [NH3+][C@H]1CCCC[C@@H]1N1C(=O)c2ccccc2[C@@]1(O)c1ccc(Cl)cc1 ZINC000006018579 204234429 /nfs/dbraw/zinc/23/44/29/204234429.db2.gz ZERQUADNLKJZLR-BJLQDIEVSA-N 1 0 356.853 3.259 1 0 FGAFRO C[NH+]1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CC1 ZINC000008536372 204333721 /nfs/dbraw/zinc/33/37/21/204333721.db2.gz SIQUUVQVHIMYKO-UHFFFAOYSA-N 1 0 352.413 3.191 1 0 FGAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+]2CCCC[C@@H]2C1 ZINC000040631409 205074660 /nfs/dbraw/zinc/07/46/60/205074660.db2.gz GOIFKVIKBPQYGJ-FRRDWIJNSA-N 1 0 351.878 3.066 1 0 FGAFRO CCN(C)c1nc2nc(C)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)n2n1 ZINC000058502198 205275840 /nfs/dbraw/zinc/27/58/40/205275840.db2.gz LSBBDZONKRZXGY-UHFFFAOYSA-N 1 0 365.268 3.321 1 0 FGAFRO CC1CC[NH+](CCn2c3ccccc3c3nc4n(c(=O)c32)CCS4)CC1 ZINC000084596866 205656360 /nfs/dbraw/zinc/65/63/60/205656360.db2.gz PQTVTOGESNBWJD-UHFFFAOYSA-N 1 0 368.506 3.189 1 0 FGAFRO Cc1cc([C@H]2C[C@@H]3CSC(=[NH2+])N[C@@]3(c3ccc(F)cc3F)CO2)on1 ZINC000169335897 206251358 /nfs/dbraw/zinc/25/13/58/206251358.db2.gz APXCHRRPLFZFMP-VMDBXTETSA-N 1 0 365.405 3.296 1 0 FGAFRO C[N@@H+]1CCc2cc(Cl)c3[nH]c(=O)[nH]c3c2[C@H]2c3ccccc3CC[C@@H]21 ZINC000003948059 204116378 /nfs/dbraw/zinc/11/63/78/204116378.db2.gz XRFMTVYXVXWQSG-RDJZCZTQSA-N 1 0 353.853 3.444 1 0 FGAFRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O ZINC000004950804 204179048 /nfs/dbraw/zinc/17/90/48/204179048.db2.gz UOSULOUXHUVWNY-CYBMUJFWSA-N 1 0 369.490 3.265 1 0 FGAFRO O=S(=O)(c1cn([C@H]2CC[NH2+]C2)c2ncccc12)c1ccc(Cl)cc1 ZINC000028862183 204890278 /nfs/dbraw/zinc/89/02/78/204890278.db2.gz MIFLVYXEQSRHTB-ZDUSSCGKSA-N 1 0 361.854 3.057 1 0 FGAFRO NC1=[NH+]CC[C@H](c2c[nH]c3cc(Br)c(Br)cc32)N1 ZINC000045256681 205118423 /nfs/dbraw/zinc/11/84/23/205118423.db2.gz QFUQQGJHGOKBAW-SNVBAGLBSA-N 1 0 372.064 3.042 1 0 FGAFRO Nc1nc2c(c(N3C[C@@H]4CCC[NH2+][C@@H]4C3)n1)CCCC[C@@H]2c1ccccc1 ZINC000049054914 205169271 /nfs/dbraw/zinc/16/92/71/205169271.db2.gz KMYVBYYBQAUEAL-YQVWRLOYSA-N 1 0 363.509 3.105 1 0 FGAFRO C[NH2+]Cc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000084710165 205659421 /nfs/dbraw/zinc/65/94/21/205659421.db2.gz BMIMPQBKBZTWCT-UHFFFAOYSA-N 1 0 356.447 3.120 1 0 FGAFRO COc1cc(C[C@H]2[NH2+]CC[C@@H]3C(F)C(=O)C(=O)C[C@H]23)cc(OC)c1OC ZINC000195046603 206330103 /nfs/dbraw/zinc/33/01/03/206330103.db2.gz IUCYJGARTZONQF-RWMBFGLXSA-N 1 0 365.401 3.044 1 0 FGAFRO O=S(=O)(c1ccccc1)c1ccc(N2CC[NH2+]CC2)c2ccccc21 ZINC000003817506 132385745 /nfs/dbraw/zinc/38/57/45/132385745.db2.gz PJCRJVPZJMTMTB-UHFFFAOYSA-N 1 0 352.459 3.082 1 0 FGAFRO O=C1C(=C([O-])c2cccs2)CC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000102987672 222316524 /nfs/dbraw/zinc/31/65/24/222316524.db2.gz OOHTXEVODQRYSL-WXQHOCMDSA-N 1 0 358.507 3.042 1 0 FGAFRO CN1CC[C@]2([C@]34CC[N@H+](C)[C@H]3N(C)c3ccccc34)c3ccccc3N(C)[C@H]12 ZINC000064624409 574415365 /nfs/dbraw/zinc/41/53/65/574415365.db2.gz UEOHDZULNTUKEK-ZJZGAYNASA-N 1 0 374.532 3.085 1 0 endogenous,in-man FGAFRO COc1cc(CC[NH+](C)C)c2c(c1OC)-c1cc3c(cc1CC2)OCO3 ZINC000033833999 291070665 /nfs/dbraw/zinc/07/06/65/291070665.db2.gz APPBPYQMDXDRJX-UHFFFAOYSA-N 1 0 355.434 3.302 1 0 biogenic,in-vitro FGAFRO C[N@@H+]1CC[C@H](c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)C1 ZINC000006013354 204233400 /nfs/dbraw/zinc/23/34/00/204233400.db2.gz LIOMFJVXCGRTDD-AWEZNQCLSA-N 1 0 358.438 3.437 1 0 FGAFRO COc1cc2nc3c(O)n(CC[NH+](C(C)C)C(C)C)cnc-3c2cc1OC ZINC000008762664 204345484 /nfs/dbraw/zinc/34/54/84/204345484.db2.gz SBQZGVSDAZAWLT-UHFFFAOYSA-N 1 0 372.469 3.378 1 0 FGAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C\Br)cc1)[NH2+]2 ZINC000013559569 204535105 /nfs/dbraw/zinc/53/51/05/204535105.db2.gz PETAHELMBJGYJY-CIBWAPOUSA-N 1 0 350.256 3.449 1 0 FGAFRO O=C(c1ccccc1)N1CC[C@@H]([NH+]2CCC(c3ccccc3)CC2)[C@H](O)C1 ZINC000013826419 204554706 /nfs/dbraw/zinc/55/47/06/204554706.db2.gz XFKFFRIWWQUUHS-FGZHOGPDSA-N 1 0 364.489 3.142 1 0 FGAFRO CCC[N@H+](CCCNC(=O)N(CC)CC)[C@@H]1CCc2c(O)cccc2C1 ZINC000028001076 204873281 /nfs/dbraw/zinc/87/32/81/204873281.db2.gz INWFLAIMSLJNHI-GOSISDBHSA-N 1 0 361.530 3.403 1 0 FGAFRO CCCc1n(C)cc[n+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000026824021 204855224 /nfs/dbraw/zinc/85/52/24/204855224.db2.gz UKEVIKLDJYOOAQ-UHFFFAOYSA-O 1 0 362.497 3.127 1 0 FGAFRO CC(C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC000036351237 205012089 /nfs/dbraw/zinc/01/20/89/205012089.db2.gz NOLJLNJGSNBJHE-ZWKOTPCHSA-N 1 0 351.922 3.184 1 0 FGAFRO C[NH+](C)CCc1ccccc1-n1cc(-c2cccc(O)c2)c2c1ncnc2N ZINC000040408611 205069945 /nfs/dbraw/zinc/06/99/45/205069945.db2.gz MUIFSXZDNITPGB-UHFFFAOYSA-N 1 0 373.460 3.479 1 0 FGAFRO CCN(CC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)[nH+]c3C)c(C)nn21 ZINC000040408029 205069689 /nfs/dbraw/zinc/06/96/89/205069689.db2.gz GEVYBKIWECOTKX-UHFFFAOYSA-N 1 0 367.501 3.332 1 0 FGAFRO COc1ccc2sc3c(c2c1)NC[C@@H](C[NH2+]Cc1ccccc1)NC3=O ZINC000043062907 205099213 /nfs/dbraw/zinc/09/92/13/205099213.db2.gz UMTQCLJEOZEKRG-CQSZACIVSA-N 1 0 367.474 3.224 1 0 FGAFRO COc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnc2ccccc21 ZINC000045196338 205117154 /nfs/dbraw/zinc/11/71/54/205117154.db2.gz NDNAGLVRQAPTRG-QGZVFWFLSA-N 1 0 361.445 3.248 1 0 FGAFRO CC(C)Cn1ncc2c1nc([C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1C)[nH]c2=O ZINC000045298665 205118611 /nfs/dbraw/zinc/11/86/11/205118611.db2.gz VWYPSWDBTYIGDI-CRAIPNDOSA-N 1 0 365.481 3.011 1 0 FGAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000049036848 205169195 /nfs/dbraw/zinc/16/91/95/205169195.db2.gz PHPQEIFINWDHDD-HOTGVXAUSA-N 1 0 367.836 3.123 1 0 FGAFRO CS(=O)(=O)c1ccc(Nc2nc([C@@H]([NH3+])c3ccccc3)cs2)cc1 ZINC000061897478 205288709 /nfs/dbraw/zinc/28/87/09/205288709.db2.gz ZOGBZSKOSCEUMH-INIZCTEOSA-N 1 0 359.476 3.338 3 0 FGAFRO O=S(=O)(c1ccc(Cl)s1)c1cn([C@H]2CC[NH2+]C2)c2ncccc12 ZINC000064479858 205299194 /nfs/dbraw/zinc/29/91/94/205299194.db2.gz MRPLGTPQSAURRZ-JTQLQIEISA-N 1 0 367.883 3.118 1 0 FGAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](C2(CO)CCCCCCC2)CC1 ZINC000066112083 205364853 /nfs/dbraw/zinc/36/48/53/205364853.db2.gz IHTVZEPWUCPDDH-UHFFFAOYSA-N 1 0 357.498 3.442 1 0 FGAFRO COc1ccc(-c2cc(C(=O)Nc3cc(C)on3)nc(C)c2C[NH3+])cc1 ZINC000066128748 205364634 /nfs/dbraw/zinc/36/46/34/205364634.db2.gz QMHDAHSSZRQLPQ-UHFFFAOYSA-N 1 0 352.394 3.073 1 0 FGAFRO O=S(=O)(c1ccccc1)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000003956019 204117368 /nfs/dbraw/zinc/11/73/68/204117368.db2.gz PEWXOCODKBSOFL-NRFANRHFSA-N 1 0 370.518 3.363 1 0 FGAFRO O[C@]1(c2ccc(Cl)cc2)c2ccc(C[NH+]3CCCC3)cc2C2=NCCN21 ZINC000006041421 204235246 /nfs/dbraw/zinc/23/52/46/204235246.db2.gz GVDCZRJSTYCQKW-OAQYLSRUSA-N 1 0 367.880 3.205 1 0 FGAFRO CC[NH+](CC)CCN(C(C)=O)[C@H]1c2ccccc2OCc2ncccc21 ZINC000027877956 204870577 /nfs/dbraw/zinc/87/05/77/204870577.db2.gz XVYMBVCFYNMSTC-OAQYLSRUSA-N 1 0 353.466 3.254 1 0 FGAFRO c1ccc2c(c1)nnn2Cc1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000026260941 204849065 /nfs/dbraw/zinc/84/90/65/204849065.db2.gz YUTIJTNWPHCHDH-UHFFFAOYSA-N 1 0 360.465 3.315 1 0 FGAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000049037144 205168739 /nfs/dbraw/zinc/16/87/39/205168739.db2.gz INDPYWCMGKQCEY-FQEVSTJZSA-N 1 0 367.836 3.051 1 0 FGAFRO Nc1ncnc2c1c(Cc1cccc3ccccc31)nn2CC1CC[NH2+]CC1 ZINC000058655566 205277786 /nfs/dbraw/zinc/27/77/86/205277786.db2.gz MMRLNUFECMEMSQ-UHFFFAOYSA-N 1 0 372.476 3.152 1 0 in-vitro FGAFRO Cc1cc(NC(=O)C2CCOCC2)ccc1N1CC[C@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000059262785 205280048 /nfs/dbraw/zinc/28/00/48/205280048.db2.gz WZFYVAXGOJDHFD-PXNSSMCTSA-N 1 0 371.525 3.423 1 0 FGAFRO O=c1[nH]c([C@@H]2C[NH2+]C[C@H]2c2ccccc2)nc2ccc(-c3ccncc3)cc21 ZINC000095586406 205790661 /nfs/dbraw/zinc/79/06/61/205790661.db2.gz NKKOAZFGRRTXCV-VQTJNVASSA-N 1 0 368.440 3.456 1 0 FGAFRO Fc1ccc(-n2cc(-c3cnn4ccc([C@@H]5CCC[NH2+]C5)nc34)cn2)cc1 ZINC000096937446 205889771 /nfs/dbraw/zinc/88/97/71/205889771.db2.gz FQRJKOPMEKMPIB-CQSZACIVSA-N 1 0 362.412 3.188 1 0 FGAFRO COc1ccc2c(c1)N(CCC[NH+](C)C)C(=O)/C(=C/c1ccccc1)O2 ZINC000169324442 132261634 /nfs/dbraw/zinc/26/16/34/132261634.db2.gz IFXYWPLLRKXOBJ-ZHZULCJRSA-N 1 0 352.434 3.413 1 0 FGAFRO COc1ccccc1N1CCC(C[NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000003811175 132385734 /nfs/dbraw/zinc/38/57/34/132385734.db2.gz XYBADQIMVGSILK-GOSISDBHSA-N 1 0 368.477 3.341 1 0 FGAFRO C[NH2+]CCC[C@H]1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O ZINC000049784302 136123941 /nfs/dbraw/zinc/12/39/41/136123941.db2.gz CLLQMGVKRYVVFS-HNNXBMFYSA-N 1 0 366.433 3.357 1 0 FGAFRO CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCC[NH3+])c1ccccc1 ZINC000028951413 581095847 /nfs/dbraw/zinc/09/58/47/581095847.db2.gz RZCZKNPTZMHVSH-PZJWPPBQSA-N 1 0 367.424 3.029 1 0 FGAFRO NC(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH3+])nc1Nc1cccc(Cl)c1 ZINC000034033655 208103692 /nfs/dbraw/zinc/10/36/92/208103692.db2.gz MMFBBQQGBVPLQQ-CABCVRRESA-N 1 0 359.861 3.259 1 0 FGAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc21 ZINC000040423373 208252135 /nfs/dbraw/zinc/25/21/35/208252135.db2.gz ROUJTABUDHEYCO-ZHZULCJRSA-N 1 0 361.445 3.396 1 0 FGAFRO CCC[N@@H+]1CCc2cc3oc(=O)n(C)c3cc2[C@@H]1c1cccc(OC)c1 ZINC000045347399 208330979 /nfs/dbraw/zinc/33/09/79/208330979.db2.gz OZRUDBBLRGELJB-FQEVSTJZSA-N 1 0 352.434 3.498 1 0 FGAFRO CC(C)C[C@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc43)n2)C[C@H](C)[NH2+]1 ZINC000095581384 132215705 /nfs/dbraw/zinc/21/57/05/132215705.db2.gz CZYUVYJLWVYZNM-KBPBESRZSA-N 1 0 368.460 3.372 1 0 FGAFRO COc1ccc2c(c1)C(=O)c1c-2c(N2CC[NH2+][C@H](C)C2)nc2ccccc12 ZINC000029055594 136153604 /nfs/dbraw/zinc/15/36/04/136153604.db2.gz LQLWDSCKCPHKMO-CYBMUJFWSA-N 1 0 359.429 3.253 1 0 FGAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(NC(C)=O)cc2)C1C(=O)OC ZINC000001141277 219379458 /nfs/dbraw/zinc/37/94/58/219379458.db2.gz GWFBIOJMCSLYBK-XMGGNUPJSA-N 1 0 358.394 3.066 1 0 FGAFRO Cc1cc(NC(=O)c2cn[nH]c2)ccc1N1CC[C@@H]([N@H+]2CCC[C@H]2C)C1 ZINC000113336907 209335582 /nfs/dbraw/zinc/33/55/82/209335582.db2.gz MXIVMTFMGCHKJZ-CRAIPNDOSA-N 1 0 353.470 3.033 1 0 FGAFRO Fc1ccc(/C=C2\C[NH2+]C[C@@H]3[C@H]2NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000103231038 209249279 /nfs/dbraw/zinc/24/92/79/209249279.db2.gz JBCXXGLQQIFZNP-JRSOVWTGSA-N 1 0 371.456 3.155 1 0 FGAFRO COC(=O)c1cccc(-c2cc(C(=O)Nc3ccncc3)ccc2C[NH3+])c1 ZINC000096286479 209150013 /nfs/dbraw/zinc/15/00/13/209150013.db2.gz HXZBDPJYJRNMES-UHFFFAOYSA-N 1 0 361.401 3.246 1 0 FGAFRO CC(C)[NH2+]CC(=O)Nc1ccc([C@@H]2NC(=O)C(C)(C)c3ccccc32)cc1 ZINC000033823681 208100370 /nfs/dbraw/zinc/10/03/70/208100370.db2.gz UAEKMXKJCGTAPN-FQEVSTJZSA-N 1 0 365.477 3.120 1 0 FGAFRO C[NH+]1CCC(OC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000036289025 208151980 /nfs/dbraw/zinc/15/19/80/208151980.db2.gz KJANCOXIPDDHPE-UHFFFAOYSA-N 1 0 352.394 3.016 1 0 FGAFRO [NH3+]CCC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1cccc(O)c1 ZINC000045388967 208333789 /nfs/dbraw/zinc/33/37/89/208333789.db2.gz GAPMIGVZZJVPIM-HXUWFJFHSA-N 1 0 369.852 3.350 1 0 FGAFRO C[NH+]1CCN(c2nc3ccc(Cl)cc3c(NCc3ccoc3)n2)CC1 ZINC000040848341 136120618 /nfs/dbraw/zinc/12/06/18/136120618.db2.gz VCADIWSEVTZZOR-UHFFFAOYSA-N 1 0 357.845 3.240 1 0 FGAFRO C[NH2+][C@@H]1CCN(c2nc(N)nc3c4cc(Cl)cc(Cl)c4oc32)C1 ZINC000073159735 221558775 /nfs/dbraw/zinc/55/87/75/221558775.db2.gz ZTIXUNPSHNPFNK-MRVPVSSYSA-N 1 0 352.225 3.063 1 0 FGAFRO C[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)C1CCC(c2cccnc2)CC1 ZINC000028824472 581094958 /nfs/dbraw/zinc/09/49/58/581094958.db2.gz DBPRQFOGZMRFRJ-GIOUXUJVSA-N 1 0 351.441 3.186 1 0 FGAFRO O=c1[nH]c(N2CC[C@@H]([N@H+]3CC=C(c4ccccc4)CC3)C2)nc2ccccc21 ZINC000028954677 581101278 /nfs/dbraw/zinc/10/12/78/581101278.db2.gz GMELGVOWUOVYSE-LJQANCHMSA-N 1 0 372.472 3.291 1 0 FGAFRO Cc1ccc(/C=C2\C[NH2+]C[C@@H]3[C@H](c4ccc(C)cc4)NC(=S)N[C@@H]23)cc1 ZINC000169308430 209515927 /nfs/dbraw/zinc/51/59/27/209515927.db2.gz YQCQZYAJJOSYON-GOOLVFAVSA-N 1 0 363.530 3.494 1 0 FGAFRO [NH2+]=C1N[C@]2(CCc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CS1 ZINC000096929115 209163285 /nfs/dbraw/zinc/16/32/85/209163285.db2.gz BXBCTBZVFUCZMK-QGZVFWFLSA-N 1 0 358.854 3.190 1 0 FGAFRO Cc1ncc(CN2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)n1C ZINC000015066470 207542724 /nfs/dbraw/zinc/54/27/24/207542724.db2.gz KDAICFMYNSJPHA-JOCHJYFZSA-N 1 0 352.526 3.259 1 0 FGAFRO CC(=O)Oc1c(C)c2c(c(C)c1C)OC(C)(C)[C@H]2C[NH+]1CCN(C)CC1 ZINC000022443088 207808229 /nfs/dbraw/zinc/80/82/29/207808229.db2.gz NIPUKGKIIPTVHI-KRWDZBQOSA-N 1 0 360.498 3.039 1 0 FGAFRO O=C(c1nc2ccccc2s1)[C@H]1CCN1C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000028397729 207961309 /nfs/dbraw/zinc/96/13/09/207961309.db2.gz PPXMXPNQGMHBDU-WMHQRMGPSA-N 1 0 369.490 3.001 1 0 FGAFRO O=C(Nc1ccc(F)cc1)N[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1cccnc1 ZINC000028523895 207965165 /nfs/dbraw/zinc/96/51/65/207965165.db2.gz IQKKYLOHMCQPSX-RTBURBONSA-N 1 0 354.429 3.048 1 0 FGAFRO COc1ccc([C@H]2[C@H]3C[C@H]([NH3+])c4ccc(OC)cc4C3=NN2C(C)=O)cc1 ZINC000028635828 207970052 /nfs/dbraw/zinc/97/00/52/207970052.db2.gz FEXGDGQLHSFRNL-ZJOUEHCJSA-N 1 0 365.433 3.031 1 0 FGAFRO COc1ccc(CN(CCC[NH3+])c2ccc(Br)cn2)cc1 ZINC000036382089 208159232 /nfs/dbraw/zinc/15/92/32/208159232.db2.gz PKKRYHIPTFWSNF-UHFFFAOYSA-N 1 0 350.260 3.208 1 0 FGAFRO O=S(=O)(c1ccc(Cl)cc1)n1ccc2cc3c(cc21)CC[NH2+]CC3 ZINC000040917276 208273967 /nfs/dbraw/zinc/27/39/67/208273967.db2.gz LRBGKNVJWHKZLI-UHFFFAOYSA-N 1 0 360.866 3.220 1 0 FGAFRO CCOc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC000040394795 208250656 /nfs/dbraw/zinc/25/06/56/208250656.db2.gz YSZODONOBKJUNM-UHFFFAOYSA-N 1 0 350.394 3.486 1 0 FGAFRO Cn1c2ccc(S(=O)(=O)c3cccc(F)c3)cc2c2c1C[C@@H]1CC[C@H]2[NH2+]1 ZINC000073198006 221561805 /nfs/dbraw/zinc/56/18/05/221561805.db2.gz GTPXAZMVRSAQCK-SUMWQHHRSA-N 1 0 370.449 3.499 1 0 FGAFRO CCCn1c2nc(N3CC[NH+](C)CC3)ccc2nc1-c1ccccc1OC ZINC000095584082 535594934 /nfs/dbraw/zinc/59/49/34/535594934.db2.gz CIPPTSUPVBOLJO-UHFFFAOYSA-N 1 0 365.481 3.269 1 0 FGAFRO COc1cc2c(cc1O)CC[n+]1cc3c(ccc(OC)c3OC)c(C)c1-2 ZINC000013434286 291071492 /nfs/dbraw/zinc/07/14/92/291071492.db2.gz XWCVASCMRTXXRY-UHFFFAOYSA-O 1 0 352.410 3.390 1 0 biogenic,in-vitro FGAFRO CN(C)c1ccc(-n2c3cc(OCCC[NH+](C)C)ccc3[nH]c2=O)cc1 ZINC000169326295 209517473 /nfs/dbraw/zinc/51/74/73/209517473.db2.gz WQWBCYHHGIGHTP-UHFFFAOYSA-N 1 0 354.454 3.128 1 0 FGAFRO CC(C)[NH2+]C[C@H](O)COc1ccc(CCOCCOc2ccccc2)cc1 ZINC000029329715 207988332 /nfs/dbraw/zinc/98/83/32/207988332.db2.gz PKZYTIYNCWDIPJ-FQEVSTJZSA-N 1 0 373.493 3.062 1 0 FGAFRO NC(=O)Nc1sc(-c2ccc(C[NH2+]C3CCCC3)cc2)cc1C(N)=O ZINC000040836069 208270526 /nfs/dbraw/zinc/27/05/26/208270526.db2.gz XGEGUPDDIPKVKO-UHFFFAOYSA-N 1 0 358.467 3.037 1 0 FGAFRO Cn1c(=O)c2sc(-c3ccsc3)cc2nc1NCC[NH+]1CCCC1 ZINC000061930772 208601887 /nfs/dbraw/zinc/60/18/87/208601887.db2.gz VCXMMBRDGHGJTK-UHFFFAOYSA-N 1 0 360.508 3.231 3 0 FGAFRO CC(C)C[C@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc43)n2)C[C@@H](C)[NH2+]1 ZINC000095583460 132215736 /nfs/dbraw/zinc/21/57/36/132215736.db2.gz CZYUVYJLWVYZNM-KGLIPLIRSA-N 1 0 368.460 3.372 1 0 FGAFRO C[NH+]1CCN(c2ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc3c2)CC1 ZINC000096907923 132226121 /nfs/dbraw/zinc/22/61/21/132226121.db2.gz HPLMSCYSFNNJJD-UHFFFAOYSA-N 1 0 360.417 3.088 1 0 FGAFRO C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2C[NH2+]C1CCCCC1 ZINC000085547844 291072964 /nfs/dbraw/zinc/07/29/64/291072964.db2.gz UXYDDBLZCKSNAL-NHXLOTGOSA-N 1 0 366.505 3.082 1 0 biogenic,in-vitro FGAFRO COc1ccc(F)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000103237518 209249651 /nfs/dbraw/zinc/24/96/51/209249651.db2.gz SKJONSWSIFDKAN-MUJYYYPQSA-N 1 0 358.413 3.353 1 0 FGAFRO CCC[NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccc(F)cc1 ZINC000096903290 209160574 /nfs/dbraw/zinc/16/05/74/209160574.db2.gz YLQFBDYPFRCGJG-GOSISDBHSA-N 1 0 359.441 3.381 1 0 FGAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(OC(C)=O)c2)C1C(=O)OC ZINC000096900189 209160579 /nfs/dbraw/zinc/16/05/79/209160579.db2.gz IZZLFFZMDUTGGB-LXMVLSBBSA-N 1 0 359.378 3.033 1 0 FGAFRO O=C(NC1CCCC1)c1cnn(-c2ccc(F)cc2F)c1C1CC[NH2+]CC1 ZINC000007000392 207182830 /nfs/dbraw/zinc/18/28/30/207182830.db2.gz KZJFLAXBTCLLON-UHFFFAOYSA-N 1 0 374.435 3.290 1 0 FGAFRO CCC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1cccc(I)c1)[NH2+]2 ZINC000027995137 207944101 /nfs/dbraw/zinc/94/41/01/207944101.db2.gz NPUPASYITYXDSJ-DSJMHWKBSA-N 1 0 369.246 3.494 1 0 FGAFRO CC(C)[NH+](CC[C@@]1(c2ccccc2)C(=O)NCN2CCCC[C@H]21)C(C)C ZINC000028265177 207957564 /nfs/dbraw/zinc/95/75/64/207957564.db2.gz ZURWTJLUKIDQPW-UNMCSNQZSA-N 1 0 357.542 3.375 1 0 FGAFRO CC1(C)c2[nH]c3cc(Cl)ccc3c2C[C@@]23C[N@H+]4CCC[C@]4(C[C@@H]12)C(=O)N3 ZINC000040860697 208272430 /nfs/dbraw/zinc/27/24/30/208272430.db2.gz DXPVAKSJZFQGSS-DQLDELGASA-N 1 0 369.896 3.378 1 0 FGAFRO COc1cc2cc3[n+](cc2c(OC)c1OC)CCc1cc2c(cc1-3)OCO2 ZINC000040876367 208273345 /nfs/dbraw/zinc/27/33/45/208273345.db2.gz PLZQQVPRVYQEMR-UHFFFAOYSA-N 1 0 366.393 3.105 1 0 FGAFRO OC1([C@H](CN2CC[NH2+]CC2)c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000040895306 208275320 /nfs/dbraw/zinc/27/53/20/208275320.db2.gz RPFZUEYSRQOPDL-QGZVFWFLSA-N 1 0 356.432 3.389 1 0 in-vitro FGAFRO OC1([C@@H](CN2CC[NH2+]CC2)c2cccc(OC(F)(F)F)c2)CCCCC1 ZINC000040394346 208251345 /nfs/dbraw/zinc/25/13/45/208251345.db2.gz MRQDQHDPSBHAEH-KRWDZBQOSA-N 1 0 372.431 3.269 1 0 in-vitro FGAFRO O=C(C1CCOCC1)N(Cc1cccc(Cl)c1Cl)[C@H]1CC[NH2+]C1 ZINC000040406229 208253145 /nfs/dbraw/zinc/25/31/45/208253145.db2.gz DFLDZWQBWUBYFS-AWEZNQCLSA-N 1 0 357.281 3.111 1 0 FGAFRO Nc1nc2c(c(N3C[C@H]4CCC[NH2+][C@H]4C3)n1)CCCC[C@H]2c1ccccc1 ZINC000049045940 208412558 /nfs/dbraw/zinc/41/25/58/208412558.db2.gz KMYVBYYBQAUEAL-AOIWGVFYSA-N 1 0 363.509 3.105 1 0 FGAFRO CCCCOc1ccc(-c2ccc(CCC([NH3+])(CO)CO)cc2)cc1F ZINC000049113470 208415104 /nfs/dbraw/zinc/41/51/04/208415104.db2.gz FMQCWSHWOJFCAN-UHFFFAOYSA-N 1 0 361.457 3.286 1 0 FGAFRO [NH3+][C@H](Cc1ccc(Cl)cc1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1 ZINC000095587856 209083811 /nfs/dbraw/zinc/08/38/11/209083811.db2.gz XOXMVRWFWDMQLD-MRXNPFEDSA-N 1 0 365.824 3.209 1 0 FGAFRO O=S1(=O)C[C@H]([NH+]2CCC(c3ccccc3)CC2)CN1C1CCCCC1 ZINC000095600403 209085306 /nfs/dbraw/zinc/08/53/06/209085306.db2.gz AJFYGTHIQWSHBT-HXUWFJFHSA-N 1 0 362.539 3.213 3 0 FGAFRO C[NH2+][C@H]1[C@@H]2CCC[C@]23C[C@]24C[C@H]1C=C[C@@]23[C@H](O)C[C@]1(C)CCC[C@@]4(O)C1 ZINC000085547441 291068987 /nfs/dbraw/zinc/06/89/87/291068987.db2.gz FBFPTUVKXJCALB-SQGGDDTHSA-N 1 0 357.538 3.403 1 0 biogenic,in-vitro FGAFRO NC(=O)c1cccc([S@@](=O)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000101363751 209224983 /nfs/dbraw/zinc/22/49/83/209224983.db2.gz HQXYMUSPACPKSH-QPHCBKPXSA-N 1 0 368.502 3.089 1 0 FGAFRO Cc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(CCO)CC1)=N2 ZINC000100765071 209217616 /nfs/dbraw/zinc/21/76/16/209217616.db2.gz PCGWIAIYKRIPOX-UHFFFAOYSA-N 1 0 361.489 3.275 1 0 FGAFRO CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccc(OC)cc1)[C@H](C)N2 ZINC000006403203 207139259 /nfs/dbraw/zinc/13/92/59/207139259.db2.gz BLXWXLHNURPYOD-JTQLQIEISA-N 1 0 355.398 3.176 1 0 FGAFRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C(C)(C)O)C3)C2)cc1 ZINC000011703915 207318940 /nfs/dbraw/zinc/31/89/40/207318940.db2.gz LQMYNLFAKJLMEC-JOCHJYFZSA-N 1 0 358.526 3.395 1 0 FGAFRO CN(CC[NH+]1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1ccccc12 ZINC000035967001 208140018 /nfs/dbraw/zinc/14/00/18/208140018.db2.gz ODRJZKUJAYVKSJ-UHFFFAOYSA-N 1 0 370.493 3.187 1 0 FGAFRO CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1C[NH3+] ZINC000072175939 208823553 /nfs/dbraw/zinc/82/35/53/208823553.db2.gz FYGLQYNWOKXQFN-UHFFFAOYSA-N 1 0 363.461 3.423 1 0 FGAFRO CC(C)N(c1cccc(N2CC[NH+](C)CC2)c1)S(=O)(=O)c1ccccc1 ZINC000058582410 136131998 /nfs/dbraw/zinc/13/19/98/136131998.db2.gz FUNLPOKPIPLUBX-UHFFFAOYSA-N 1 0 373.522 3.042 1 0 FGAFRO COc1ccc2cc3[n+](cc2c1OC)CCc1c-3ccc(OC)c1OC ZINC000095564800 209080595 /nfs/dbraw/zinc/08/05/95/209080595.db2.gz UODOMXGMPUZWLD-UHFFFAOYSA-N 1 0 352.410 3.385 1 0 FGAFRO CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CC[NH3+])c1ccccc1 ZINC000036184679 208150039 /nfs/dbraw/zinc/15/00/39/208150039.db2.gz VZJZHIKRRFMIGO-FQEVSTJZSA-N 1 0 372.419 3.348 1 0 FGAFRO C[N@@H+]1CCCC[C@@H]1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000036289033 208152896 /nfs/dbraw/zinc/15/28/96/208152896.db2.gz LBJMHPIVBXUBLY-CQSZACIVSA-N 1 0 350.422 3.186 1 0 FGAFRO Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O ZINC000040895148 208274547 /nfs/dbraw/zinc/27/45/47/208274547.db2.gz BIPYJOQSCUNINC-KDXIVRHGSA-N 1 0 366.505 3.226 1 0 FGAFRO C[C@@H]1C[N@@H+]2[C@H]3[C@@H]1CC[C@]31CCC(=O)O[C@@]1(C)[C@H]1CC(=O)[C@H]3CCC[C@H]3[C@@H]12 ZINC000040394420 208251548 /nfs/dbraw/zinc/25/15/48/208251548.db2.gz XWNUAACCLIULKG-NMOPZWIYSA-N 1 0 357.494 3.186 1 0 FGAFRO O=C(Nc1ccnc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045324119 208329805 /nfs/dbraw/zinc/32/98/05/208329805.db2.gz MZWJEJCKZOAMAO-UHFFFAOYSA-N 1 0 360.461 3.443 1 0 FGAFRO Cn1c2cc(S(=O)(=O)c3ccccc3)ccc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000073197834 221560576 /nfs/dbraw/zinc/56/05/76/221560576.db2.gz KJKURLQGTARUPM-DYVFJYSZSA-N 1 0 352.459 3.360 1 0 FGAFRO CC(=O)O[C@H]1CC[C@@H](CCCCCCCCCC[C@@H](O)CO)[NH2+][C@H]1C ZINC000034516838 291066786 /nfs/dbraw/zinc/06/67/86/291066786.db2.gz MJPZKLRGLLDPRZ-NBYUQASBSA-N 1 0 357.535 3.313 1 0 biogenic,in-vitro FGAFRO CN1N=C(c2ccc(OC3CC[NH+](C4CCCC4)CC3)cc2)[C@@H]2C[C@@H]2C1=O ZINC000103260434 209250298 /nfs/dbraw/zinc/25/02/98/209250298.db2.gz JFRUETNFZHUWLL-UXHICEINSA-N 1 0 367.493 3.285 1 0 FGAFRO c1ccc(N2CC[NH+](C[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1 ZINC000100803083 209217425 /nfs/dbraw/zinc/21/74/25/209217425.db2.gz WQFGYARLKCXPCQ-KDURUIRLSA-N 1 0 351.498 3.270 1 0 FGAFRO CCC[N@H+](CC)[C@H](C)CN1CCc2c3ccc(OC)cc3oc(=O)c2C1 ZINC000027738283 207938600 /nfs/dbraw/zinc/93/86/00/207938600.db2.gz VNALAIYBURUVJL-OAHLLOKOSA-N 1 0 358.482 3.280 1 0 FGAFRO CC(C)[NH2+]C[C@H](O)COc1ccc2oc(-c3ccccc3)cc(=O)c2c1 ZINC000029551343 207994150 /nfs/dbraw/zinc/99/41/50/207994150.db2.gz ITDMHOZFKJXHSK-INIZCTEOSA-N 1 0 353.418 3.198 1 0 FGAFRO NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])nc1Nc1cccc(Cl)c1 ZINC000034033652 208103723 /nfs/dbraw/zinc/10/37/23/208103723.db2.gz MMFBBQQGBVPLQQ-LSDHHAIUSA-N 1 0 359.861 3.259 1 0 FGAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[C@H]2CCCC[N@@H+]2CC1 ZINC000040466810 208255261 /nfs/dbraw/zinc/25/52/61/208255261.db2.gz BHLFSULBTRYLAE-CHWSQXEVSA-N 1 0 351.878 3.068 1 0 FGAFRO O=C(Nc1ccccc1N1CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000084728911 132199240 /nfs/dbraw/zinc/19/92/40/132199240.db2.gz FTYPTPGIIWETQX-UHFFFAOYSA-N 1 0 364.474 3.472 1 0 FGAFRO O=c1oc2ccc(Cl)cc2n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000103176065 132237005 /nfs/dbraw/zinc/23/70/05/132237005.db2.gz CTYDRTOCLKBQGT-UHFFFAOYSA-N 1 0 371.868 3.460 1 0 FGAFRO Cc1noc(C)c1C(=O)N1CCC2(CC1)CCN(c1cc[nH+]cc1)CC2 ZINC000003956214 132386041 /nfs/dbraw/zinc/38/60/41/132386041.db2.gz WJVSDPVVMXISEI-UHFFFAOYSA-N 1 0 354.454 3.209 1 0 FGAFRO Cc1nc2sc(C(=O)NCC[C@H]3CCC[N@H+]3C)c(N)c2c(C)c1Cl ZINC000095597591 209083774 /nfs/dbraw/zinc/08/37/74/209083774.db2.gz CXEWGCBPPMLNHF-LLVKDONJSA-N 1 0 366.918 3.363 1 0 FGAFRO CC(C)[NH2+]C[C@@H](O)COc1ccc(OCCOCCc2ccccc2)cc1 ZINC000029339678 211509383 /nfs/dbraw/zinc/50/93/83/211509383.db2.gz FKOFOQSLZJGJHP-HXUWFJFHSA-N 1 0 373.493 3.062 1 0 FGAFRO O=C1CN=C(c2ccccc2Cl)c2cc(F)ccc2N1C1CC[NH2+]CC1 ZINC000027761326 211473257 /nfs/dbraw/zinc/47/32/57/211473257.db2.gz GSWFUCXCYOXRJV-UHFFFAOYSA-N 1 0 371.843 3.415 1 0 FGAFRO CCCC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(Cc3ncc[nH]3)CC2)[C@H]1O ZINC000020205570 211273616 /nfs/dbraw/zinc/27/36/16/211273616.db2.gz KOJQCFUPKQDUFH-RTWAWAEBSA-N 1 0 368.525 3.091 1 0 FGAFRO Nc1cc(OCCC[NH2+]C[C@H]2CCc3ccc(O)cc3O2)ccc1Cl ZINC000013775923 211058260 /nfs/dbraw/zinc/05/82/60/211058260.db2.gz AVVHLOOXCWDKCY-MRXNPFEDSA-N 1 0 362.857 3.380 1 0 FGAFRO Cc1noc(C[S@@](=O)C[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000013584894 211041426 /nfs/dbraw/zinc/04/14/26/211041426.db2.gz DYTIBVLSVQCIHS-ROYPQONJSA-N 1 0 367.902 3.016 1 0 FGAFRO Cn1cc(-c2cnn3c2nc([C@@H]2CCC[NH2+]C2)cc3Nc2ccccc2)cn1 ZINC000066104488 221242026 /nfs/dbraw/zinc/24/20/26/221242026.db2.gz IMPQUAJLAYEKCN-OAHLLOKOSA-N 1 0 373.464 3.340 1 0 FGAFRO c1cc(-c2ccc3c(n[nH]c3-c3ccc(N4CC[NH2+]CC4)cc3)n2)ccn1 ZINC000073129303 136149797 /nfs/dbraw/zinc/14/97/97/136149797.db2.gz ZNLOPNFHYPMDIP-UHFFFAOYSA-N 1 0 356.433 3.097 1 0 FGAFRO C[C@@H](c1ccncc1)[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(C(N)=O)c1)C2 ZINC000101366428 222271172 /nfs/dbraw/zinc/27/11/72/222271172.db2.gz MUZLNSIUFMZLMA-DEYWJSPQSA-N 1 0 351.450 3.316 1 0 FGAFRO Fc1ccccc1C=C1C[NH2+]CC2C1=NC(=S)N[C@H]2c1ccccc1F ZINC000101679960 222281085 /nfs/dbraw/zinc/28/10/85/222281085.db2.gz IWZGOIGTTNRBJI-CWIMXHLESA-N 1 0 369.440 3.425 1 0 FGAFRO CCN1C(NCC(C)C)=[NH+][C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@H]1C ZINC000195474144 222623030 /nfs/dbraw/zinc/62/30/30/222623030.db2.gz IFSYXAWGAODQOG-QRQLOZEOSA-N 1 0 359.514 3.103 1 0 FGAFRO C[NH+](C)[C@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2)C1 ZINC000060325487 212020154 /nfs/dbraw/zinc/02/01/54/212020154.db2.gz DXPHMVPLORWBKA-HNNXBMFYSA-N 1 0 354.475 3.297 1 0 FGAFRO Cc1cc(C(=O)Nc2ccc(N3CC[C@@H]([N@H+]4CCC[C@@H]4C)C3)cc2)n[nH]1 ZINC000059263587 212014809 /nfs/dbraw/zinc/01/48/09/212014809.db2.gz RCUFJSPQSAHGNP-MAUKXSAKSA-N 1 0 353.470 3.033 1 0 FGAFRO [NH3+][C@@]12CC(C(F)(F)F)=C[C@@H](Cc3[nH]c(=O)ccc31)/C2=C\C(F)(F)F ZINC000029569172 211515418 /nfs/dbraw/zinc/51/54/18/211515418.db2.gz BQYXYZYJEUBVBN-DLDOZJJQSA-N 1 0 350.262 3.082 1 0 FGAFRO C[C@H](NC1=NC(=O)C2(CC[NH+](Cc3ccccc3)CC2)O1)c1ccccc1 ZINC000028824012 211500282 /nfs/dbraw/zinc/50/02/82/211500282.db2.gz NRFWFEMHRJCYJM-KRWDZBQOSA-N 1 0 363.461 3.285 1 0 FGAFRO COc1ccc2c(c1)O[C@@H](C[NH2+]CCc1c[nH]c3ccc(F)cc13)CN2 ZINC000028571005 211493260 /nfs/dbraw/zinc/49/32/60/211493260.db2.gz NPMDTHGHENPBAJ-INIZCTEOSA-N 1 0 355.413 3.321 1 0 FGAFRO C[C@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000022926539 211371410 /nfs/dbraw/zinc/37/14/10/211371410.db2.gz SFIMEMADLNGLGG-ILWGZMRPSA-N 1 0 374.569 3.397 1 0 FGAFRO Nc1cc(OCCC[NH2+]C[C@@H]2CCc3ccc(O)cc3O2)ccc1Cl ZINC000013775922 211058952 /nfs/dbraw/zinc/05/89/52/211058952.db2.gz AVVHLOOXCWDKCY-INIZCTEOSA-N 1 0 362.857 3.380 1 0 FGAFRO O=C1O[C@@H](C[n+]2ccn3c2CCCC3)CC1(c1ccccc1)c1ccccc1 ZINC000013651200 211046537 /nfs/dbraw/zinc/04/65/37/211046537.db2.gz NDKIYEMCQXKMCO-OAQYLSRUSA-N 1 0 373.476 3.414 1 0 FGAFRO O=c1c2ccccc2nc(CSC2=[NH+]CCN2)n1-c1ccc(Cl)cc1 ZINC000001848289 210372737 /nfs/dbraw/zinc/37/27/37/210372737.db2.gz SGKWHBSVJOTFER-UHFFFAOYSA-N 1 0 370.865 3.232 1 0 FGAFRO O=C1C[C@H](OCc2ccccc2)C[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000066078296 221240641 /nfs/dbraw/zinc/24/06/41/221240641.db2.gz NIZDXKKKAUREEY-RHFRXIPYSA-N 1 0 354.494 3.067 1 0 FGAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(-n3ccnc3)c2)C1C(=O)OC ZINC000100035834 222232372 /nfs/dbraw/zinc/23/23/72/222232372.db2.gz GHQJEBVTLZPJAL-CQGUWYRNSA-N 1 0 367.405 3.293 1 0 FGAFRO CC(C)[NH2+]C[C@H](O)COc1ccc([S@](=O)c2ccc(Cl)cc2)cc1 ZINC000169318960 222560937 /nfs/dbraw/zinc/56/09/37/222560937.db2.gz SHRNAQHJYLQJNR-IZHWHUGBSA-N 1 0 367.898 3.244 1 0 FGAFRO COc1ccc(Cc2c3c(cc[n+]2C)cc(OC)c(OC)c3OC)cc1 ZINC000033833879 291072492 /nfs/dbraw/zinc/07/24/92/291072492.db2.gz AZGCZIGARDCCNC-UHFFFAOYSA-N 1 0 354.426 3.290 1 0 biogenic,in-vitro FGAFRO Cc1cc(C(=O)Nc2ccc(N3CC[C@H]([N@H+]4CCC[C@@H]4C)C3)cc2C)n[nH]1 ZINC000059263575 212014866 /nfs/dbraw/zinc/01/48/66/212014866.db2.gz MAVCXANXGDWPJD-WMZOPIPTSA-N 1 0 367.497 3.342 1 0 FGAFRO CC(C)[NH2+]C[C@H](O)COc1ccc(CCOCCc2ccccc2)cc1 ZINC000029340114 211509759 /nfs/dbraw/zinc/50/97/59/211509759.db2.gz GNMNXYBVWHRGEM-NRFANRHFSA-N 1 0 357.494 3.226 1 0 FGAFRO O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C[NH2+]CC2 ZINC000027980721 211475637 /nfs/dbraw/zinc/47/56/37/211475637.db2.gz FZYGHFSUGYJBRG-UHFFFAOYSA-N 1 0 356.369 3.152 1 0 FGAFRO [NH3+][C@H]1CN(c2cc(-c3ccccc3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F ZINC000014958732 211106305 /nfs/dbraw/zinc/10/63/05/211106305.db2.gz VMMSXEPJIRGODV-KDOFPFPSSA-N 1 0 370.378 3.492 1 0 FGAFRO COc1ccc2c(c1)c(CC[NH+](C)C)c(C)n2S(=O)(=O)c1ccccc1 ZINC000013864766 211064019 /nfs/dbraw/zinc/06/40/19/211064019.db2.gz DNOJEKLHKJAPCC-UHFFFAOYSA-N 1 0 372.490 3.299 1 0 FGAFRO Nc1ccc(C(=O)NCC[NH+]2CCC(c3cccc4[nH]ccc43)CC2)cc1 ZINC000013609436 211043371 /nfs/dbraw/zinc/04/33/71/211043371.db2.gz NONLEPSJHYRPDC-UHFFFAOYSA-N 1 0 362.477 3.360 1 0 FGAFRO C[NH+]1CCC(c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)cc32)CC1 ZINC000013523588 211037768 /nfs/dbraw/zinc/03/77/68/211037768.db2.gz XDVPDQGJTQDXRK-UHFFFAOYSA-N 1 0 352.413 3.185 1 0 FGAFRO CCOc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1 ZINC000001487133 210355572 /nfs/dbraw/zinc/35/55/72/210355572.db2.gz MNHRKQKSNCFFOW-UHFFFAOYSA-N 1 0 367.428 3.469 1 0 FGAFRO CNc1ccc(C(=O)C2CC[NH+]([C@H]3Cc4ccccc4C[C@@H]3O)CC2)cc1 ZINC000096273557 222107350 /nfs/dbraw/zinc/10/73/50/222107350.db2.gz MDFFDSDCXAZBFF-VXKWHMMOSA-N 1 0 364.489 3.151 1 0 FGAFRO COc1cc(C[C@H]2[NH2+]CC[C@H]3C(F)C(=O)C(=O)C[C@@H]23)cc(OC)c1OC ZINC000100990507 222259434 /nfs/dbraw/zinc/25/94/34/222259434.db2.gz IUCYJGARTZONQF-JHJVBQTASA-N 1 0 365.401 3.044 1 0 FGAFRO COc1ccc(NC(=O)[C@@]2(C)CC[N@@H+]2C2Cc3ccccc3C2)cc1OC ZINC000061897411 212026235 /nfs/dbraw/zinc/02/62/35/212026235.db2.gz OYTIKKUQADTIQB-JOCHJYFZSA-N 1 0 366.461 3.274 3 0 FGAFRO [NH3+]CCn1cc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccnc21 ZINC000045320070 211814564 /nfs/dbraw/zinc/81/45/64/211814564.db2.gz MMPIOTKRWORPAQ-UHFFFAOYSA-N 1 0 370.261 3.135 1 0 FGAFRO C[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)n1sc2ccccc2c1=O ZINC000020467306 211282055 /nfs/dbraw/zinc/28/20/55/211282055.db2.gz LTACFCAXYBXTDM-HNNXBMFYSA-N 1 0 373.522 3.101 1 0 FGAFRO CC[N@H+](CCOCCNC(=O)NCc1ccccc1)CC1CCCCC1 ZINC000013742432 211057085 /nfs/dbraw/zinc/05/70/85/211057085.db2.gz HRQGWHKVUGNVNC-UHFFFAOYSA-N 1 0 361.530 3.405 1 0 FGAFRO c1ccc(-c2nnc3c4ccccc4c(OCC4CC[NH2+]CC4)nn23)cc1 ZINC000013559993 211039183 /nfs/dbraw/zinc/03/91/83/211039183.db2.gz BPPPQWRMTWGDJW-UHFFFAOYSA-N 1 0 359.433 3.323 1 0 FGAFRO [NH3+]C1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1 ZINC000066259570 221244275 /nfs/dbraw/zinc/24/42/75/221244275.db2.gz YSXGNIUKUJNNPR-UHFFFAOYSA-N 1 0 356.861 3.049 1 0 FGAFRO c1ccc([C@@H]2CN(c3cccc(-c4[nH]nc5ncccc54)n3)CC[NH2+]2)cc1 ZINC000095584253 132215763 /nfs/dbraw/zinc/21/57/63/132215763.db2.gz FNLZNOBAYWDBFQ-SFHVURJKSA-N 1 0 356.433 3.171 1 0 FGAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)[C@@H]1CCCO1 ZINC000096286305 222110458 /nfs/dbraw/zinc/11/04/58/222110458.db2.gz BSAKAGUSLYMSNM-QRFRQXIXSA-N 1 0 357.498 3.176 1 0 FGAFRO c1cc(CC[C@@H]2C[C@@H](CCc3ccc4c(c3)OCO4)[NH2+]2)cc2c1OCO2 ZINC000096285970 222111020 /nfs/dbraw/zinc/11/10/20/222111020.db2.gz BSCWPTKFQMWIPN-IAGOWNOFSA-N 1 0 353.418 3.440 1 0 FGAFRO On1cc(C2CC[NH2+]CC2)c(-c2cn(Cc3ccccc3)c(Cl)n2)n1 ZINC000096910960 222139456 /nfs/dbraw/zinc/13/94/56/222139456.db2.gz AZDLJOBMHCGAGZ-UHFFFAOYSA-N 1 0 357.845 3.153 1 0 FGAFRO Cc1ccc(/C=C2\C[NH2+]C[C@@H]3[C@H]2NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000103231021 222326087 /nfs/dbraw/zinc/32/60/87/222326087.db2.gz YQCQZYAJJOSYON-SCVXHMHQSA-N 1 0 363.530 3.494 1 0 FGAFRO CC(C)(Cc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000029326590 581091898 /nfs/dbraw/zinc/09/18/98/581091898.db2.gz ANLCROLHPITTQP-SFHVURJKSA-N 1 0 352.434 3.290 1 0 FGAFRO C[NH2+][C@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@H]3[C@@H]4CC[C@@H]5[C@H](C)OC(=O)[C@@]54CC[C@@H]32)C1 ZINC000072108528 210213528 /nfs/dbraw/zinc/21/35/28/210213528.db2.gz PSCHPNOCVHDNMF-RZOBYWFHSA-N 1 0 359.510 3.050 1 0 FGAFRO CC(C)C[C@@H](CN1C(N)=[NH+]C[C@@H]1C)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000061959633 212028557 /nfs/dbraw/zinc/02/85/57/212028557.db2.gz RVTPRHVXSHMEBK-AHHUIIKDSA-N 1 0 374.573 3.143 3 0 FGAFRO CC(C)[C@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCC2)CC1 ZINC000019446077 211222054 /nfs/dbraw/zinc/22/20/54/211222054.db2.gz DMKKXCDJXZZGJN-GOSISDBHSA-N 1 0 374.558 3.040 3 0 FGAFRO C[NH+](C)CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1 ZINC000013983165 211066149 /nfs/dbraw/zinc/06/61/49/211066149.db2.gz AITUVWNTUJSLMG-UHFFFAOYSA-N 1 0 364.445 3.357 1 0 FGAFRO C[C@@H]1Sc2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2NC1=O ZINC000066259949 221243706 /nfs/dbraw/zinc/24/37/06/221243706.db2.gz OIMBGIKORVUTLW-NSHDSACASA-N 1 0 361.511 3.158 1 0 FGAFRO COc1ncc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)s1 ZINC000066258301 221242675 /nfs/dbraw/zinc/24/26/75/221242675.db2.gz YQRBEYZHUYHXEE-UHFFFAOYSA-N 1 0 365.528 3.125 1 0 FGAFRO CN(C(=O)C(=O)Nc1ccc(Cl)c(F)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000066258243 221243316 /nfs/dbraw/zinc/24/33/16/221243316.db2.gz SHMABAXSULJJPW-UHFFFAOYSA-N 1 0 369.868 3.185 1 0 FGAFRO C[NH+]1CCN(CCOc2ccc3c4c2ccnc4-c2ccccc2C3=O)CC1 ZINC000071341858 221345097 /nfs/dbraw/zinc/34/50/97/221345097.db2.gz NWDIJOHBBCBVAQ-UHFFFAOYSA-N 1 0 373.456 3.072 1 0 FGAFRO O=C1N=C2C(=Cc3ccccc3F)C[NH2+]CC2[C@H](c2ccccc2F)N1 ZINC000096270601 222107455 /nfs/dbraw/zinc/10/74/55/222107455.db2.gz PCXZWYXQTPSKMF-CWIMXHLESA-N 1 0 353.372 3.260 1 0 FGAFRO O=C1[C@@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]21 ZINC000096941627 222144967 /nfs/dbraw/zinc/14/49/67/222144967.db2.gz JRWGGFAAWXEFJO-MUGJNUQGSA-N 1 0 364.420 3.146 1 0 FGAFRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(Cl)ccc1OCC(F)(F)F ZINC000169329192 222562741 /nfs/dbraw/zinc/56/27/41/222562741.db2.gz KUYMGCQUHMFDDI-LLVKDONJSA-N 1 0 350.768 3.153 1 0 FGAFRO CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C2CCCC2)cc1 ZINC000087690224 581091777 /nfs/dbraw/zinc/09/17/77/581091777.db2.gz BRBANFJYZRAWJF-ROUUACIJSA-N 1 0 362.539 3.374 1 0 FGAFRO COCc1ccc(O)cc1CC[N@@H+]1CCCC[C@H]1[C@H](O)c1cccc(O)c1 ZINC000085486937 291069577 /nfs/dbraw/zinc/06/95/77/291069577.db2.gz NOJUKKVBEUQCAP-FCHUYYIVSA-N 1 0 371.477 3.375 1 0 biogenic,in-vitro FGAFRO Cc1cccc(-n2ncc(C(=O)Nc3nccs3)c2C2CC[NH2+]CC2)c1 ZINC000015726923 211139321 /nfs/dbraw/zinc/13/93/21/211139321.db2.gz QCRNCIJCJHPKOR-UHFFFAOYSA-N 1 0 367.478 3.357 1 0 FGAFRO COc1ccc(C2CC[NH+](Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1 ZINC000013802982 211059173 /nfs/dbraw/zinc/05/91/73/211059173.db2.gz ZNVJBKVJJHNRRV-UHFFFAOYSA-N 1 0 352.434 3.406 1 0 FGAFRO [NH3+]CCCC(=O)N1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 ZINC000013743905 211056741 /nfs/dbraw/zinc/05/67/41/211056741.db2.gz QCFYGJJTWBCGJI-KRWDZBQOSA-N 1 0 358.869 3.301 1 0 FGAFRO O=c1c(-c2ccccc2)cccn1[C@@H](C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000013488441 211036141 /nfs/dbraw/zinc/03/61/41/211036141.db2.gz NZNYFHPTQFALGO-IRLDBZIGSA-N 1 0 360.457 3.171 1 0 FGAFRO CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](O)[C@H]([NH+](C)C)[C@@]3(C)CC[C@H]21 ZINC000066263370 221243806 /nfs/dbraw/zinc/24/38/06/221243806.db2.gz ZBSOWTXULBZDMS-BTOHRNCKSA-N 1 0 357.494 3.369 1 0 FGAFRO CC[NH+]1CCC(n2cc(-c3noc(-c4ccc(Cl)cc4)n3)nn2)CC1 ZINC000071317801 221342295 /nfs/dbraw/zinc/34/22/95/221342295.db2.gz CRJSQQBPICENQR-UHFFFAOYSA-N 1 0 358.833 3.305 1 0 FGAFRO CNC(=O)c1ccc(Oc2ccc3c(c2)CC[N@H+](C2CCC2)CC3)cn1 ZINC000103242309 222327901 /nfs/dbraw/zinc/32/79/01/222327901.db2.gz UWGBZSHVFYGVFE-UHFFFAOYSA-N 1 0 351.450 3.187 1 0 FGAFRO Cc1ccc(NC(=O)c2ncn(CCC[NH2+]Cc3ccccc3)n2)cc1C ZINC000061936066 212028107 /nfs/dbraw/zinc/02/81/07/212028107.db2.gz QASHIQGJWWYCTJ-UHFFFAOYSA-N 1 0 363.465 3.327 3 0 FGAFRO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCOCC1 ZINC000059262790 212015937 /nfs/dbraw/zinc/01/59/37/212015937.db2.gz RIVHKFKXQNJYDP-FXAWDEMLSA-N 1 0 371.525 3.423 1 0 FGAFRO Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCC[NH3+])[C@H]3c1cccc(O)c1 ZINC000034524478 211617057 /nfs/dbraw/zinc/61/70/57/211617057.db2.gz ZHXBYINMTVWXRO-QFIPXVFZSA-N 1 0 363.461 3.395 1 0 FGAFRO CC[NH+](CC)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12 ZINC000013553362 211039725 /nfs/dbraw/zinc/03/97/25/211039725.db2.gz VSLGRSUBCKRTAC-UHFFFAOYSA-N 1 0 371.506 3.345 1 0 FGAFRO COCC(=O)N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003956242 210503348 /nfs/dbraw/zinc/50/33/48/210503348.db2.gz DQRBLDKHCLDKSJ-UHFFFAOYSA-N 1 0 364.489 3.347 1 0 FGAFRO C[NH+](C)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000035047313 210362295 /nfs/dbraw/zinc/36/22/95/210362295.db2.gz DLGRCNDWDMSUDW-YSFYHYPLSA-N 1 0 374.484 3.287 1 0 FGAFRO C[NH+](C)CCN1C(=O)c2cccc3cc(-c4cccc(N)c4)cc(c32)C1=O ZINC000096939905 222144594 /nfs/dbraw/zinc/14/45/94/222144594.db2.gz AJZCFCZQAISQAS-UHFFFAOYSA-N 1 0 359.429 3.247 1 0 FGAFRO COc1cc(C[C@H]2[NH2+]CC[C@H]3CC(=O)C(=O)C(F)[C@@H]23)cc(OC)c1OC ZINC000100986079 222259716 /nfs/dbraw/zinc/25/97/16/222259716.db2.gz ZSESSFIOOIMOHZ-HWWQOWPSSA-N 1 0 365.401 3.044 1 0 FGAFRO CC(=O)NCCCOc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000103298218 222334097 /nfs/dbraw/zinc/33/40/97/222334097.db2.gz LKBUQFJMIZRYTF-GOSISDBHSA-N 1 0 366.461 3.049 1 0 FGAFRO Cc1ccc(/C=C2\C[NH2+]C[C@H]3[C@H](c4ccc(C)cc4)NC(=S)N[C@@H]23)cc1 ZINC000169308432 222559095 /nfs/dbraw/zinc/55/90/95/222559095.db2.gz YQCQZYAJJOSYON-GMTLMCOVSA-N 1 0 363.530 3.494 1 0 FGAFRO O=S(=O)(c1ccc(Cl)s1)c1cn([C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000064479857 212038844 /nfs/dbraw/zinc/03/88/44/212038844.db2.gz MRPLGTPQSAURRZ-SNVBAGLBSA-N 1 0 367.883 3.118 1 0 FGAFRO O=C(c1ccc(F)cc1)C1CC[NH+]([C@@H]2Cc3ccccc3C[C@H]2O)CC1 ZINC000040403384 211745010 /nfs/dbraw/zinc/74/50/10/211745010.db2.gz NIXIHSCMKWWEOU-NHCUHLMSSA-N 1 0 353.437 3.249 1 0 FGAFRO N=C(Nc1ccc2ccn(CCC[NH+]3CCOCC3)c2c1)c1ccco1 ZINC000034804358 211623211 /nfs/dbraw/zinc/62/32/11/211623211.db2.gz WADBSLRRIAJDGK-UHFFFAOYSA-N 1 0 352.438 3.394 1 0 FGAFRO Clc1ncc(OC[C@@H]2CC[NH2+]2)cc1-c1ccnc(Br)c1 ZINC000013560810 211038845 /nfs/dbraw/zinc/03/88/45/211038845.db2.gz OAPZOARBGWCCDP-JTQLQIEISA-N 1 0 354.635 3.300 1 0 FGAFRO CC(C)C[NH+]1CCC(CNC(=O)c2cc(Cl)cc3c2ncn3C)CC1 ZINC000013491755 211036007 /nfs/dbraw/zinc/03/60/07/211036007.db2.gz KZGICVGMPQLPLX-UHFFFAOYSA-N 1 0 362.905 3.325 1 0 FGAFRO CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1cccc(I)c1)[NH2+]2 ZINC000013439753 211034505 /nfs/dbraw/zinc/03/45/05/211034505.db2.gz NPUPASYITYXDSJ-NHIYQJMISA-N 1 0 369.246 3.494 1 0 FGAFRO C[NH+](C)CCO[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000066251479 221242282 /nfs/dbraw/zinc/24/22/82/221242282.db2.gz PVDWMCHTOGJGJJ-LLTZGFESSA-N 1 0 359.510 3.166 1 0 FGAFRO CC[NH+]1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3C)CC1 ZINC000084713785 132199220 /nfs/dbraw/zinc/19/92/20/132199220.db2.gz UMDBIKLFXMBCMH-UHFFFAOYSA-N 1 0 370.888 3.134 1 0 FGAFRO C[NH+]1CCN(c2nc3ccc(Cl)cc3c(NCc3ccco3)n2)CC1 ZINC000040380521 136119731 /nfs/dbraw/zinc/11/97/31/136119731.db2.gz BKGSNELMPDFQCW-UHFFFAOYSA-N 1 0 357.845 3.240 1 0 FGAFRO Cn1c2c(c3cccc(S(=O)(=O)c4ccccc4)c31)[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000082152229 221706752 /nfs/dbraw/zinc/70/67/52/221706752.db2.gz OUVSIXANZHJSBH-XJKSGUPXSA-N 1 0 352.459 3.360 1 0 FGAFRO CC(C)=CCC/C(C)=C/C(=O)NCCCOCCCCOCCC[NH3+] ZINC000095583488 221964195 /nfs/dbraw/zinc/96/41/95/221964195.db2.gz BZUXSGRJDSJBKW-HTXNQAPBSA-N 1 0 354.535 3.348 1 0 FGAFRO CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(COc1ccccc1)[C@@H](C)N2 ZINC000100871265 222255477 /nfs/dbraw/zinc/25/54/77/222255477.db2.gz QXDMAKQNLXKJQD-LLVKDONJSA-N 1 0 355.398 3.198 1 0 FGAFRO Fc1ccccc1C=C1C[NH2+]CC2C1=NC(=S)N[C@@H]2c1ccccc1F ZINC000101679958 222280669 /nfs/dbraw/zinc/28/06/69/222280669.db2.gz IWZGOIGTTNRBJI-XWGMLZDCSA-N 1 0 369.440 3.425 1 0 FGAFRO CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)[NH2+]2 ZINC000013439749 220067188 /nfs/dbraw/zinc/06/71/88/220067188.db2.gz XSCLLXQHZKNMDH-NHIYQJMISA-N 1 0 369.246 3.494 1 0 FGAFRO C[NH+](C)CC[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000013684722 220085606 /nfs/dbraw/zinc/08/56/06/220085606.db2.gz CMYRHYWLVRLMEU-MRXNPFEDSA-N 1 0 360.841 3.492 1 0 FGAFRO CCCn1c(=O)cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000013731382 220091372 /nfs/dbraw/zinc/09/13/72/220091372.db2.gz RTTZOQDXXOWLHF-XYPWUTKMSA-N 1 0 354.450 3.194 1 0 FGAFRO CC[C@H]1C[N@H+](C)C[C@@]2(C(=O)OC)Cc3c4ccccc4[nH]c3C(=O)C[C@@H]12 ZINC000015203396 220149603 /nfs/dbraw/zinc/14/96/03/220149603.db2.gz METLQVFFFUYXNT-PCMMCCAGSA-N 1 0 354.450 3.044 3 0 FGAFRO C[C@@H]([NH2+]Cc1ccccc1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl ZINC000049112372 221019573 /nfs/dbraw/zinc/01/95/73/221019573.db2.gz QICFULGAOAYEPU-GFCCVEGCSA-N 1 0 355.825 3.298 1 0 FGAFRO Cc1cc(C(=O)Nc2ccc(N3CC[C@H]([N@H+]4CCC[C@@H]4C)C3)cc2)n[nH]1 ZINC000059263584 221125483 /nfs/dbraw/zinc/12/54/83/221125483.db2.gz RCUFJSPQSAHGNP-YJBOKZPZSA-N 1 0 353.470 3.033 1 0 FGAFRO [NH3+]Cc1ccc(-c2cccc(Cc3cc(=O)n(O)c4ncccc34)c2)cc1 ZINC000064527349 221147979 /nfs/dbraw/zinc/14/79/79/221147979.db2.gz HCICIXKQLIBLJU-UHFFFAOYSA-N 1 0 357.413 3.350 1 0 FGAFRO CCN1C(NCC(C)C)=[NH+][C@@H](CCc2ccccc2)[C@H](C(=O)OC)[C@@H]1C ZINC000066166901 221242900 /nfs/dbraw/zinc/24/29/00/221242900.db2.gz IFSYXAWGAODQOG-YTQUADARSA-N 1 0 359.514 3.103 1 0 FGAFRO COc1ccc2c(c1)c(C[NH2+]CCO)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000071296357 221341582 /nfs/dbraw/zinc/34/15/82/221341582.db2.gz UGEPMPWMZNVUBC-UHFFFAOYSA-N 1 0 372.852 3.382 1 0 FGAFRO O=S(=O)(c1ccccc1)N1CCC2(CCCN(c3cc[nH+]cc3)C2)CC1 ZINC000003956044 132386034 /nfs/dbraw/zinc/38/60/34/132386034.db2.gz OSWPHAFWMSAQAD-UHFFFAOYSA-N 1 0 371.506 3.153 1 0 FGAFRO COc1ccc(N2N=[O+]C(=O)C2CNc2nc3ccc(C)cc3s2)cc1 ZINC000098085412 222227461 /nfs/dbraw/zinc/22/74/61/222227461.db2.gz NIXOWBGNOJMLOT-UHFFFAOYSA-O 1 0 369.426 3.196 1 0 FGAFRO CCn1cnc2c1nc(N[C@H]1CC[C@@H]([NH3+])CC1)nc2Nc1ccc(F)cc1 ZINC000100821236 222254566 /nfs/dbraw/zinc/25/45/66/222254566.db2.gz GPINDKALSCBEKJ-CTYIDZIISA-N 1 0 369.448 3.411 1 0 FGAFRO CCCn1c(-c2ccccc2F)nc2ccc(N3CC[NH+](C)CC3)nc21 ZINC000095581775 535578217 /nfs/dbraw/zinc/57/82/17/535578217.db2.gz OXTYBRUTCLFZEY-UHFFFAOYSA-N 1 0 353.445 3.399 1 0 FGAFRO O=C1c2cc(F)ccc2OC2(CC[NH2+]CC2)[C@@]12CC(c1ccccc1)=NO2 ZINC000013660429 220081899 /nfs/dbraw/zinc/08/18/99/220081899.db2.gz FSXVDMYYLNBNFE-OAQYLSRUSA-N 1 0 366.392 3.086 3 0 FGAFRO Fc1ccc(-c2ncn(CCC[NH+]3CCOCC3)c2-c2ccncc2)cc1 ZINC000021289852 220356518 /nfs/dbraw/zinc/35/65/18/220356518.db2.gz ANWALZPQHPAZFO-UHFFFAOYSA-N 1 0 366.440 3.474 1 0 in-vivo FGAFRO Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)C[C@H]2[NH+]1CCN(CCO)CC1 ZINC000022940749 220406744 /nfs/dbraw/zinc/40/67/44/220406744.db2.gz BZBHGCBFWKSYCV-RBBKRZOGSA-N 1 0 354.469 3.321 1 0 FGAFRO CC[C@@H]1[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N@@H+]3C)[C@@H](O5)[C@@H]2OC[C@@]21C ZINC000027846397 220547954 /nfs/dbraw/zinc/54/79/54/220547954.db2.gz RURJICWFYHBEJA-JTVUANMOSA-N 1 0 355.478 3.015 1 0 FGAFRO O=S(=O)(c1cn([C@@H]2CC[NH2+]C2)c2ccc(F)cc12)c1cccc(F)c1 ZINC000049034839 221017787 /nfs/dbraw/zinc/01/77/87/221017787.db2.gz YXCBVZRAABWHKG-CQSZACIVSA-N 1 0 362.401 3.287 1 0 FGAFRO COc1ccc(Cn2c3ccccc3nc2N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000049111116 221019518 /nfs/dbraw/zinc/01/95/18/221019518.db2.gz ZCRCTVHOBQJBNB-QGZVFWFLSA-N 1 0 350.466 3.234 1 0 FGAFRO CC(C)c1cc(C(=O)N2Cc3ccc(OCCC[NH3+])cc3C2)c(O)cc1O ZINC000058554561 221120475 /nfs/dbraw/zinc/12/04/75/221120475.db2.gz DNIWSQGPKWTEIU-UHFFFAOYSA-N 1 0 370.449 3.105 1 0 FGAFRO [NH3+]CCCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000058590473 221121639 /nfs/dbraw/zinc/12/16/39/221121639.db2.gz MPEXHDSIFAAJAL-NRFANRHFSA-N 1 0 371.912 3.313 1 0 in-vivo FGAFRO Cc1ccccc1-c1cc2nc(NCCC[NH+](C)C)n(C)c(=O)c2s1 ZINC000061896967 221135424 /nfs/dbraw/zinc/13/54/24/221135424.db2.gz AUSVWMQPLNFMSK-UHFFFAOYSA-N 1 0 356.495 3.334 3 0 FGAFRO C[NH+](C)CCCNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc21 ZINC000066166223 221242846 /nfs/dbraw/zinc/24/28/46/221242846.db2.gz NDTZWKQJAKGEQU-UHFFFAOYSA-N 1 0 350.422 3.389 1 0 FGAFRO Fc1ccc(/C=C2\C[NH2+]C[C@H]3[C@H]2NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000103231040 222326319 /nfs/dbraw/zinc/32/63/19/222326319.db2.gz JBCXXGLQQIFZNP-YYIDZPINSA-N 1 0 371.456 3.155 1 0 FGAFRO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(-c2nc(-c3ccco3)c[nH]2)cc1 ZINC000169317577 222561692 /nfs/dbraw/zinc/56/16/92/222561692.db2.gz PJJONAWJSHFNDB-HNNXBMFYSA-N 1 0 355.438 3.465 1 0 FGAFRO Cc1cc(Br)c([O-])c(C(=O)Nc2ccc(NC(N)=[NH2+])cc2)c1 ZINC000013444470 220066810 /nfs/dbraw/zinc/06/68/10/220066810.db2.gz LPZRNUYWFIHPTO-UHFFFAOYSA-N 1 0 363.215 3.021 1 0 FGAFRO CNC(=O)C[C@H]1Cc2ccccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000013491904 220069494 /nfs/dbraw/zinc/06/94/94/220069494.db2.gz FZOYRIYTSQLEGS-HXUWFJFHSA-N 1 0 364.489 3.255 1 0 FGAFRO CC[C@@]12CCC[N@@H+]3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000013813057 220096253 /nfs/dbraw/zinc/09/62/53/220096253.db2.gz CITPXCNSMZMNIW-XYEHWOGUSA-N 1 0 370.493 3.432 1 0 FGAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@H](c2cccc3nonc32)C1C(=O)OC ZINC000022001248 220374611 /nfs/dbraw/zinc/37/46/11/220374611.db2.gz MSKAFRMBWXTPHY-WDMNMGCXSA-N 1 0 371.393 3.423 3 0 investigational FGAFRO CCN(CC)C(=O)c1ccc([C@@H](c2ccc(C)cc2)N2CC[NH2+]CC2)cc1 ZINC000022450862 220387099 /nfs/dbraw/zinc/38/70/99/220387099.db2.gz DZRRVROYJXYKPV-JOCHJYFZSA-N 1 0 365.521 3.472 1 0 FGAFRO CC(=O)NC[C@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045370938 220970788 /nfs/dbraw/zinc/97/07/88/220970788.db2.gz ZNNRUQNYKOFUES-INIZCTEOSA-N 1 0 353.447 3.442 1 0 FGAFRO CCc1nc2ccc(C(=O)N(C)CC[NH+](C)C)cn2c1N(C)CCC(C)C ZINC000061896483 221135907 /nfs/dbraw/zinc/13/59/07/221135907.db2.gz AQTHUFVAUXBLIE-UHFFFAOYSA-N 1 0 373.545 3.013 3 0 FGAFRO CC[NH+]1CCC(n2cc(-c3nnc(-c4cccc(Cl)c4)o3)nn2)CC1 ZINC000066105152 221242028 /nfs/dbraw/zinc/24/20/28/221242028.db2.gz UVSUBSUQJCSROL-UHFFFAOYSA-N 1 0 358.833 3.305 1 0 FGAFRO O=c1oc(CC[NH+]2CCN(c3ccccc3)CC2)c(-c2ccccc2)o1 ZINC000001841883 132382456 /nfs/dbraw/zinc/38/24/56/132382456.db2.gz ZHYNGNFRXSCGRM-UHFFFAOYSA-N 1 0 350.418 3.265 1 0 FGAFRO CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3C[NH2+]C3)ccc1-2 ZINC000096269636 222107571 /nfs/dbraw/zinc/10/75/71/222107571.db2.gz UYNXWBXISXVSIW-UHFFFAOYSA-N 1 0 367.478 3.271 1 0 FGAFRO CC(C)C(=O)Oc1ccc([C@@H](O)C[NH2+]C(C)(C)C)cc1OC(=O)C(C)C ZINC000147414410 222546849 /nfs/dbraw/zinc/54/68/49/222546849.db2.gz HOESUQYIRNQYJC-HNNXBMFYSA-N 1 0 365.470 3.231 1 0 FGAFRO COc1cc(C[C@H]2[NH2+]CCCc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000029544818 220607786 /nfs/dbraw/zinc/60/77/86/220607786.db2.gz HIVKUXKVHRDNOA-MRXNPFEDSA-N 1 0 371.433 3.261 1 0 FGAFRO C[C@@H]([NH3+])C(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1cccc(O)c1 ZINC000049938533 221029249 /nfs/dbraw/zinc/02/92/49/221029249.db2.gz SSEQCILHYYXXBA-WYRIXSBYSA-N 1 0 369.852 3.348 1 0 FGAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000049036850 221017890 /nfs/dbraw/zinc/01/78/90/221017890.db2.gz PHPQEIFINWDHDD-CVEARBPZSA-N 1 0 367.836 3.123 1 0 FGAFRO CCOCCn1c2ccccc2nc1[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000049110397 221019650 /nfs/dbraw/zinc/01/96/50/221019650.db2.gz WQOMZYPBVOXQJY-KRWDZBQOSA-N 1 0 357.498 3.431 1 0 FGAFRO C[N@@H+]1CCC=C([C@H]2CN(C(=O)c3cc(Cl)ccc3Cl)CCO2)C1 ZINC000049072580 221019803 /nfs/dbraw/zinc/01/98/03/221019803.db2.gz DWINDGSUAHBRPZ-MRXNPFEDSA-N 1 0 355.265 3.096 1 0 FGAFRO C[NH+](C)[C@@H]1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2ccccc2)C1 ZINC000060325818 221129637 /nfs/dbraw/zinc/12/96/37/221129637.db2.gz TYJYBRVLMVDOMJ-OAHLLOKOSA-N 1 0 372.465 3.436 1 0 FGAFRO C[NH2+]CCNc1ncc(C(N)=O)c2sc(-c3ccc(Cl)cc3)cc21 ZINC000064560325 221149039 /nfs/dbraw/zinc/14/90/39/221149039.db2.gz MMLJHVULFWLYFO-UHFFFAOYSA-N 1 0 360.870 3.347 1 0 FGAFRO Cc1noc(C)c1C(=O)N1CCC2(CCCN(c3cc[nH+]cc3)C2)CC1 ZINC000004238050 132386595 /nfs/dbraw/zinc/38/65/95/132386595.db2.gz DIMGLUOKFVOFEE-UHFFFAOYSA-N 1 0 354.454 3.209 1 0 FGAFRO NC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000101363790 222272249 /nfs/dbraw/zinc/27/22/49/222272249.db2.gz ZLTQSXAPKBXBCJ-PIIMJCKOSA-N 1 0 354.425 3.499 1 0 FGAFRO CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3c(cn4C(C)=O)C[C@H]2[N@@H+](C)C1 ZINC000095810617 494989055 /nfs/dbraw/zinc/98/90/55/494989055.db2.gz FJOWXGYLIWJFCH-OXQOHEQNSA-N 1 0 365.477 3.040 2 0 FGAFRO CC[C@]12CCC[N@@H+]3CC[C@@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000003947538 560191579 /nfs/dbraw/zinc/19/15/79/560191579.db2.gz CITPXCNSMZMNIW-MNAPGUCWSA-N 1 0 370.493 3.432 1 0 biogenic,in-vitro FGAFRO CN1CC[C@@]2([C@@]34CC[N@H+](C)[C@@H]3N(C)c3ccccc34)c3ccccc3N[C@H]12 ZINC000013385666 220065904 /nfs/dbraw/zinc/06/59/04/220065904.db2.gz GSQUXSFTXJRLQJ-SSGKUCQKSA-N 1 0 360.505 3.061 1 0 endogenous,in-man FGAFRO c1nn2cc(-c3ccc(N4CC[NH2+]CC4)cc3)cnc2c1-c1ccccc1 ZINC000096927001 132226546 /nfs/dbraw/zinc/22/65/46/132226546.db2.gz WLXBZZLKNLKRKJ-UHFFFAOYSA-N 1 0 355.445 3.473 3 0 FGAFRO c1[nH]c2ccccc2c1CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000001489735 132382179 /nfs/dbraw/zinc/38/21/79/132382179.db2.gz JKXNHYROCOIFSB-UHFFFAOYSA-N 1 0 363.461 3.304 1 0 FGAFRO Fc1ccc(SCCC[NH+]2CCN(c3ncc(F)cn3)CC2)cc1 ZINC000029562844 132920727 /nfs/dbraw/zinc/92/07/27/132920727.db2.gz XCFMFYBDKYADJX-UHFFFAOYSA-N 1 0 350.438 3.059 1 0 FGAFRO COCC[N@H+](C)[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1 ZINC000096171512 222068258 /nfs/dbraw/zinc/06/82/58/222068258.db2.gz XRELUBWLPZIXSQ-OAQYLSRUSA-N 1 0 363.461 3.032 1 0 FGAFRO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2ccccc2[18F])CC1 ZINC000101712025 222281835 /nfs/dbraw/zinc/28/18/35/222281835.db2.gz MESXUKOOJXWYFP-ZREINDOBSA-N 1 0 353.494 3.101 1 0 FGAFRO CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C=O)[C@@H]12 ZINC000013765018 220093372 /nfs/dbraw/zinc/09/33/72/220093372.db2.gz RNBMJTUDVDLVNT-QUCCMNQESA-N 1 0 351.406 3.193 1 0 FGAFRO CC[n+]1ccc(CCC(=O)[C@H]2Cc3cc(OC)c(OC)cc3S2)cc1 ZINC000028461754 220576111 /nfs/dbraw/zinc/57/61/11/220576111.db2.gz SNRGQBSLWSCUGI-HXUWFJFHSA-N 1 0 358.483 3.230 1 0 FGAFRO Cn1c(=O)c2sc(-c3ccc(F)cc3)cc2nc1NCCC[NH+](C)C ZINC000061904996 221137140 /nfs/dbraw/zinc/13/71/40/221137140.db2.gz SGTYLTCIANIYFB-UHFFFAOYSA-N 1 0 360.458 3.165 3 0 FGAFRO O=C1C[C@H](c2ccccc2)CN1c1cnc2c(cccc2N2CC[NH2+]CC2)c1 ZINC000169347298 132261752 /nfs/dbraw/zinc/26/17/52/132261752.db2.gz GIQNFCNDIZCJAU-IBGZPJMESA-N 1 0 372.472 3.165 1 0 FGAFRO COC(=O)C[C@H]1c2ccccc2[NH+]=C(N2CCOCC2)N1c1ccccc1 ZINC000026994482 136153340 /nfs/dbraw/zinc/15/33/40/136153340.db2.gz KPUZUAXTLXGLSU-IBGZPJMESA-N 1 0 365.433 3.131 1 0 FGAFRO CCc1ccc2[nH]c3c(c2c1)CCN(C(=O)CC[NH3+])[C@@H]3c1cccc(O)c1 ZINC000045337138 581094043 /nfs/dbraw/zinc/09/40/43/581094043.db2.gz VPYMYXCPSJKVGR-JOCHJYFZSA-N 1 0 363.461 3.259 1 0 FGAFRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000004991402 219635002 /nfs/dbraw/zinc/63/50/02/219635002.db2.gz AHZSDSQIBCQUBH-GOSISDBHSA-N 1 0 357.498 3.198 3 0 FGAFRO Fc1ncc(-c2cc(OC[C@@H]3CC[NH2+]3)cnc2Cl)cc1Br ZINC000013560806 220075374 /nfs/dbraw/zinc/07/53/74/220075374.db2.gz ARRBESCOIKGTQP-VIFPVBQESA-N 1 0 372.625 3.439 1 0 FGAFRO COc1ccc2c(c1)c(CC[NH+](C)C)cn2S(=O)(=O)c1ccc(C)cc1 ZINC000013864750 220098585 /nfs/dbraw/zinc/09/85/85/220098585.db2.gz NYUGRZAAEIFCKO-UHFFFAOYSA-N 1 0 372.490 3.299 1 0 FGAFRO NC(=O)c1cc(F)cc2[nH]c(-c3ccc([C@@H]4CCCC[NH2+]4)cc3F)nc21 ZINC000049067846 221018238 /nfs/dbraw/zinc/01/82/38/221018238.db2.gz IKMSCTKNIPLUAO-HNNXBMFYSA-N 1 0 356.376 3.422 1 0 FGAFRO CCN1C(NCC(C)C)=[NH+][C@@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000066166900 221242447 /nfs/dbraw/zinc/24/24/47/221242447.db2.gz IFSYXAWGAODQOG-WDSOQIARSA-N 1 0 359.514 3.103 1 0 FGAFRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071329058 221343476 /nfs/dbraw/zinc/34/34/76/221343476.db2.gz QQXYLDQBGTVJBJ-FCIYXJNOSA-N 1 0 356.510 3.150 1 0 FGAFRO O=C1[C@H]2C[N@H+](CC3CCCCC3)CCN2C(=O)N1[C@H]1C[C@@H]1c1ccccc1 ZINC000072177621 221449756 /nfs/dbraw/zinc/44/97/56/221449756.db2.gz OSCWCEOAPXDBLA-HSALFYBXSA-N 1 0 367.493 3.071 1 0 FGAFRO NC(=O)c1cccc([S@](=O)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000101363746 222271450 /nfs/dbraw/zinc/27/14/50/222271450.db2.gz HQXYMUSPACPKSH-BVFWVQIHSA-N 1 0 368.502 3.089 1 0 FGAFRO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2 ZINC000101790333 222284488 /nfs/dbraw/zinc/28/44/88/222284488.db2.gz VEIDKIPDKMIJHI-BCDXTJNWSA-N 1 0 367.493 3.328 1 0 FGAFRO O=c1[nH]c(N2CC[C@H]([N@H+]3CC=C(c4ccccc4)CC3)C2)nc2ccccc21 ZINC000028954680 581101257 /nfs/dbraw/zinc/10/12/57/581101257.db2.gz GMELGVOWUOVYSE-IBGZPJMESA-N 1 0 372.472 3.291 1 0 FGAFRO [NH3+]Cc1ccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)cc1 ZINC000013534213 220072190 /nfs/dbraw/zinc/07/21/90/220072190.db2.gz RPWGPUBKJDYNDR-UZLBHIALSA-N 1 0 360.404 3.407 1 0 FGAFRO O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCC[NH2+]3)c2c1)c1ccc(F)cc1 ZINC000013607626 220078552 /nfs/dbraw/zinc/07/85/52/220078552.db2.gz GVIWHMYQGQFKBU-HNNXBMFYSA-N 1 0 373.453 3.402 1 0 FGAFRO COC(=O)C[C@H]1c2ccccc2[NH+]=C(N2CCOCC2)N1C1CCCCC1 ZINC000027082286 220528746 /nfs/dbraw/zinc/52/87/46/220528746.db2.gz OSARWLHRWKQLCT-IBGZPJMESA-N 1 0 371.481 3.259 1 0 FGAFRO CCC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)[NH2+]2 ZINC000027903715 220550604 /nfs/dbraw/zinc/55/06/04/220550604.db2.gz XSCLLXQHZKNMDH-DSJMHWKBSA-N 1 0 369.246 3.494 1 0 FGAFRO [NH3+]CCCC(=O)N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000049069264 221018611 /nfs/dbraw/zinc/01/86/11/221018611.db2.gz CQYBSHWVZIXIKN-SFHVURJKSA-N 1 0 363.465 3.103 1 0 FGAFRO [NH3+]CCCC(=O)N(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000049069262 221018874 /nfs/dbraw/zinc/01/88/74/221018874.db2.gz CQYBSHWVZIXIKN-GOSISDBHSA-N 1 0 363.465 3.103 1 0 FGAFRO NC(=O)c1cnc(N[C@H]2CC[NH2+]C2)c2cc(-c3ccc(Cl)cc3)sc21 ZINC000064550005 221147257 /nfs/dbraw/zinc/14/72/57/221147257.db2.gz LVXCQSLVHKIHFR-LBPRGKRZSA-N 1 0 372.881 3.489 1 0 FGAFRO NC(=O)c1cnc(N[C@H]2CCC[NH2+]C2)c2cc(-c3ccc(F)cc3)sc21 ZINC000064560636 221148754 /nfs/dbraw/zinc/14/87/54/221148754.db2.gz KAMUHXLQJMLNMI-ZDUSSCGKSA-N 1 0 370.453 3.365 1 0 FGAFRO [NH3+]C1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1 ZINC000066258575 221243541 /nfs/dbraw/zinc/24/35/41/221243541.db2.gz CGRLNCABNBKKKW-UHFFFAOYSA-N 1 0 374.851 3.189 1 0 FGAFRO C[C@H]1Sc2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2NC1=O ZINC000066259948 221243586 /nfs/dbraw/zinc/24/35/86/221243586.db2.gz OIMBGIKORVUTLW-LLVKDONJSA-N 1 0 361.511 3.158 1 0 FGAFRO c1ccc2c(c1)C[C@@H]2CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000005162693 132306110 /nfs/dbraw/zinc/30/61/10/132306110.db2.gz DHYRQVXQZAGWKI-SFHVURJKSA-N 1 0 350.462 3.310 1 0 in-vitro FGAFRO On1ncc(C2CC[NH2+]CC2)c1-c1cn(Cc2ccccc2)c(Cl)n1 ZINC000096910965 222138864 /nfs/dbraw/zinc/13/88/64/222138864.db2.gz APSUFLNREWCSEB-UHFFFAOYSA-N 1 0 357.845 3.153 1 0 FGAFRO CC(C)C[N@@H+]1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000004238115 204129175 /nfs/dbraw/zinc/12/91/75/204129175.db2.gz NXHRDMHMJFKRAZ-UHFFFAOYSA-N 1 0 350.528 3.209 1 0 FGAFRO CC(C)(C)[NH2+]C[C@@H](O)COC(=O)c1cccc(OCc2ccccc2)c1 ZINC000025972051 204844742 /nfs/dbraw/zinc/84/47/42/204844742.db2.gz USNUYANUHNWXJN-GOSISDBHSA-N 1 0 357.450 3.171 1 0 FGAFRO CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000040918440 205085089 /nfs/dbraw/zinc/08/50/89/205085089.db2.gz BYZZRTNQROTLCL-IBGZPJMESA-N 1 0 358.507 3.257 1 0 FGAFRO S=C1NCCN1CC1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000061936164 205289992 /nfs/dbraw/zinc/28/99/92/205289992.db2.gz CRPVJTXZOZNHFP-UHFFFAOYSA-N 1 0 361.599 3.495 3 0 FGAFRO Cc1nnc(CO)n1-c1ccc(Cl)cc1[C@H]([NH3+])c1ccccc1Cl ZINC000148889147 206141046 /nfs/dbraw/zinc/14/10/46/206141046.db2.gz RDCGAQFBSIWMKO-QGZVFWFLSA-N 1 0 363.248 3.423 1 0 FGAFRO Fc1ccc(/C=C2\C[NH2+]C[C@@H]3[C@H](c4ccc(F)cc4)NC(=S)N[C@@H]23)cc1 ZINC000169308438 206249345 /nfs/dbraw/zinc/24/93/45/206249345.db2.gz JBCXXGLQQIFZNP-UGRGGGHKSA-N 1 0 371.456 3.155 1 0 FGAFRO CNc1cc(N2CCC(C[NH3+])(c3ccc(Cl)c(Cl)c3)CC2)ncn1 ZINC000103251764 132237280 /nfs/dbraw/zinc/23/72/80/132237280.db2.gz MKPBZBVZBHHZGM-UHFFFAOYSA-N 1 0 366.296 3.322 1 0 FGAFRO CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccc(OC)cc1)[C@@H](C)N2 ZINC000006403206 204247126 /nfs/dbraw/zinc/24/71/26/204247126.db2.gz BLXWXLHNURPYOD-SNVBAGLBSA-N 1 0 355.398 3.176 1 0 FGAFRO CC[NH2+]CCN1c2ccc(Cl)cc2C(c2ccccc2F)=NCC1=O ZINC000033949596 204976086 /nfs/dbraw/zinc/97/60/86/204976086.db2.gz DINCAJAWFDEDPU-UHFFFAOYSA-N 1 0 359.832 3.273 1 0 FGAFRO Nc1nc2c(c(N3C[C@@H]4CCC[NH2+][C@@H]4C3)n1)CCCC[C@H]2c1ccccc1 ZINC000049054911 205168210 /nfs/dbraw/zinc/16/82/10/205168210.db2.gz KMYVBYYBQAUEAL-JENIJYKNSA-N 1 0 363.509 3.105 1 0 FGAFRO Cc1cc(NC(=O)c2cn[nH]c2)ccc1N1CC[C@@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000059263572 205279783 /nfs/dbraw/zinc/27/97/83/205279783.db2.gz MXIVMTFMGCHKJZ-MAUKXSAKSA-N 1 0 353.470 3.033 1 0 FGAFRO COc1ccc2c(c1OC)C(C)(C)[N+]1=C(C2)c2cc3c(cc2CC1)OCO3 ZINC000072104571 205467143 /nfs/dbraw/zinc/46/71/43/205467143.db2.gz DWAOYZCOGSADCD-UHFFFAOYSA-N 1 0 366.437 3.282 1 0 FGAFRO O=C1O[C@H](c2ccccc2Cl)CN1c1cccc(N2CC[NH2+]CC2)c1 ZINC000169347327 132261780 /nfs/dbraw/zinc/26/17/80/132261780.db2.gz ZQDZOAYNWRSFDS-SFHVURJKSA-N 1 0 357.841 3.448 1 0 FGAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000022939495 204791366 /nfs/dbraw/zinc/79/13/66/204791366.db2.gz SGSNUYVZXCAQRH-NRFANRHFSA-N 1 0 351.494 3.163 1 0 FGAFRO COC1=C[C@@H]2C=Cc3c(CC[NH+](C)C)cc4c(c3[C@H]2C=C1OC)OCO4 ZINC000040864470 205082991 /nfs/dbraw/zinc/08/29/91/205082991.db2.gz XPALUHVBMIQPSU-BBRMVZONSA-N 1 0 355.434 3.320 1 0 FGAFRO CC1=C(CC[NH+](C)C)c2cc(NS(=O)(=O)c3ccc(N)cc3)ccc2C1 ZINC000040974778 205086444 /nfs/dbraw/zinc/08/64/44/205086444.db2.gz PLAXUZDNDUJERZ-UHFFFAOYSA-N 1 0 371.506 3.351 1 0 FGAFRO C=C(c1c(C)ccc(Cl)c1OC[C@H](O)C[NH2+]C(C)(C)C)n1ccnc1 ZINC000040466753 205071932 /nfs/dbraw/zinc/07/19/32/205071932.db2.gz ANKGPSXFXHCLHL-OAHLLOKOSA-N 1 0 363.889 3.492 1 0 FGAFRO C=C(c1cc(Cl)cc(C)c1OC[C@H](O)C[NH2+]C(C)(C)C)n1ccnc1 ZINC000040466137 205072297 /nfs/dbraw/zinc/07/22/97/205072297.db2.gz KTTJQOQUDDFXLX-MRXNPFEDSA-N 1 0 363.889 3.492 1 0 FGAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@H]2CCCC[N@H+]2[C@@H](C)C1 ZINC000040631415 205074207 /nfs/dbraw/zinc/07/42/07/205074207.db2.gz GOIFKVIKBPQYGJ-YNEHKIRRSA-N 1 0 351.878 3.066 1 0 FGAFRO C[N@@H+]1CCC=C([C@@H]2CN(C(=O)c3cc(Cl)ccc3Cl)CCO2)C1 ZINC000049072578 205168770 /nfs/dbraw/zinc/16/87/70/205168770.db2.gz DWINDGSUAHBRPZ-INIZCTEOSA-N 1 0 355.265 3.096 1 0 FGAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000049037146 205169541 /nfs/dbraw/zinc/16/95/41/205169541.db2.gz INDPYWCMGKQCEY-HXUWFJFHSA-N 1 0 367.836 3.051 1 0 FGAFRO C[NH+]1C(C)(C)CC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC1(C)C ZINC000052913585 205189049 /nfs/dbraw/zinc/18/90/49/205189049.db2.gz BDBJXDJHRQCGDD-UHFFFAOYSA-N 1 0 369.868 3.185 1 0 in-vitro FGAFRO CC1=C(C(=O)N2CC[NH+](C3CCCCC3)CC2)C2(CCCCC2)OC1=O ZINC000058056194 205249651 /nfs/dbraw/zinc/24/96/51/205249651.db2.gz VKULMDRNBSDMOE-UHFFFAOYSA-N 1 0 360.498 3.040 1 0 FGAFRO [NH3+][C@H](Cc1cc(F)ccc1F)C1CC[NH+]([C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000066075820 205362304 /nfs/dbraw/zinc/36/23/04/205362304.db2.gz OUYYJIKUXWSIGZ-DKSSEZFCSA-N 1 0 366.452 3.190 1 0 FGAFRO Cn1c2ccccc2s/c1=N/N/C=C/c1sc2ccc(F)cc2[n+]1C ZINC000169323936 206250452 /nfs/dbraw/zinc/25/04/52/206250452.db2.gz QQZCIKDAMYEDIN-DYTRJAOYSA-O 1 0 371.486 3.494 1 0 FGAFRO COc1ccc(CC[NH2+]CC[C@@H]2CN(C)c3ccccc3O2)cc1OC ZINC000013780746 132871670 /nfs/dbraw/zinc/87/16/70/132871670.db2.gz JJMFEDURPBMSOI-QGZVFWFLSA-N 1 0 356.466 3.123 1 0 FGAFRO CN1CC[C@]2([C@@]34CC[N@H+](C)[C@@H]3N(C)c3ccccc34)c3ccccc3N[C@H]12 ZINC000014923148 571727530 /nfs/dbraw/zinc/72/75/30/571727530.db2.gz GSQUXSFTXJRLQJ-BXXSPATCSA-N 1 0 360.505 3.061 1 0 endogenous,in-man FGAFRO C[NH+]1CCC(c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)nc32)CC1 ZINC000013523597 204533998 /nfs/dbraw/zinc/53/39/98/204533998.db2.gz QVHRBLXNOGAPKG-UHFFFAOYSA-N 1 0 353.401 3.159 1 0 FGAFRO COc1ccc(S(=O)(=O)n2cc(C3=CCC[NH2+]C3)c3ccccc32)cc1 ZINC000028524814 204884794 /nfs/dbraw/zinc/88/47/94/204884794.db2.gz NXBZWDDWZYTGEZ-UHFFFAOYSA-N 1 0 368.458 3.264 1 0 FGAFRO C[N@@H+]1CCC[C@@H](CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000036289027 205008207 /nfs/dbraw/zinc/00/82/07/205008207.db2.gz PZWKLTYXDORWCQ-OAHLLOKOSA-N 1 0 364.449 3.434 1 0 FGAFRO Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3F)c(C[NH3+])c(C)n2)no1 ZINC000066128595 205364029 /nfs/dbraw/zinc/36/40/29/205364029.db2.gz QKUNDPMYLQLBAM-UHFFFAOYSA-N 1 0 358.348 3.343 1 0 FGAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C\Br)cc1)[NH2+]2 ZINC000169300901 206248900 /nfs/dbraw/zinc/24/89/00/206248900.db2.gz PETAHELMBJGYJY-MYIXJDQZSA-N 1 0 350.256 3.449 1 0 FGAFRO CC(C)[NH2+]C[C@@H](O)COc1ccc([S@](=O)c2ccc(Cl)cc2)cc1 ZINC000169318959 206250083 /nfs/dbraw/zinc/25/00/83/206250083.db2.gz SHRNAQHJYLQJNR-OYLFLEFRSA-N 1 0 367.898 3.244 1 0 FGAFRO CC(C)N1c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2OCC1=O ZINC000103249211 132237303 /nfs/dbraw/zinc/23/73/03/132237303.db2.gz NUSBIRLRXDCZKA-UHFFFAOYSA-N 1 0 365.477 3.143 1 0 FGAFRO CCCc1cc(=O)oc2cc(N3CC[NH2+]CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169327217 535777381 /nfs/dbraw/zinc/77/73/81/535777381.db2.gz RICFHGIAUYDRCT-UHFFFAOYSA-N 1 0 354.450 3.339 1 0 FGAFRO COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3[C@@H](C[N@H+](C)C[C@@H]3C)[C@@H]2C)ccc1O ZINC000095912330 291070144 /nfs/dbraw/zinc/07/01/44/291070144.db2.gz OFDLBJAQGFWTKC-YJVHIDGBSA-N 1 0 359.466 3.180 1 0 biogenic,in-vitro FGAFRO O=S(=O)(c1c2cc(Cl)ccc2[nH]c1C1=[NH+]CCCN1)c1ccccc1 ZINC000006581570 204254462 /nfs/dbraw/zinc/25/44/62/204254462.db2.gz BXBRMCDRYDQMCL-UHFFFAOYSA-N 1 0 373.865 3.394 1 0 FGAFRO [NH3+]CCCC(=O)N1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000013743904 204550832 /nfs/dbraw/zinc/55/08/32/204550832.db2.gz QCFYGJJTWBCGJI-QGZVFWFLSA-N 1 0 358.869 3.301 1 0 FGAFRO CN(C)C(=O)N1C[C@@H]2CC=C(c3ccc(CC[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000040401246 205069635 /nfs/dbraw/zinc/06/96/35/205069635.db2.gz IBVHHWGLHMFPKH-PZJWPPBQSA-N 1 0 353.510 3.342 1 0 FGAFRO C[NH+](C)CCn1cc(S(=O)(=O)c2ccccc2)c2nc(Cl)ccc21 ZINC000045316554 205120543 /nfs/dbraw/zinc/12/05/43/205120543.db2.gz RNLOOHHYFIYFAF-UHFFFAOYSA-N 1 0 363.870 3.084 1 0 FGAFRO O=S(=O)(c1cn([C@H]2CC[NH2+]C2)c2cccc(F)c12)c1cccc(F)c1 ZINC000049033841 205168015 /nfs/dbraw/zinc/16/80/15/205168015.db2.gz JKIQJNZUUPEZKI-ZDUSSCGKSA-N 1 0 362.401 3.287 1 0 FGAFRO [NH3+][C@H](CNc1nnc(-c2ccc3n[nH]cc3c2)s1)Cc1ccc(F)cc1 ZINC000049034262 205168685 /nfs/dbraw/zinc/16/86/85/205168685.db2.gz DXIAHMIZSNQSST-HNNXBMFYSA-N 1 0 368.441 3.202 1 0 FGAFRO O=S(=O)(c1cn([C@H]2CC[NH2+]C2)c2ccc(F)cc12)c1cccc(F)c1 ZINC000049034841 205169093 /nfs/dbraw/zinc/16/90/93/205169093.db2.gz YXCBVZRAABWHKG-AWEZNQCLSA-N 1 0 362.401 3.287 1 0 FGAFRO Cc1ccccc1-c1cc2nc(NCC[NH+]3CCCC3)n(C)c(=O)c2s1 ZINC000061902237 205287811 /nfs/dbraw/zinc/28/78/11/205287811.db2.gz IWGXIXCIMVVSNS-UHFFFAOYSA-N 1 0 368.506 3.478 3 0 FGAFRO CC(C)S(=O)(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccc(-c2cccs2)cc1 ZINC000064559375 205301051 /nfs/dbraw/zinc/30/10/51/205301051.db2.gz BXILYZVQYKOJEX-SJORKVTESA-N 1 0 364.536 3.141 1 0 FGAFRO Cn1cc(-c2cnn3c2nc([C@H]2CCC[NH2+]C2)cc3Nc2ccccc2)cn1 ZINC000066104490 205364317 /nfs/dbraw/zinc/36/43/17/205364317.db2.gz IMPQUAJLAYEKCN-HNNXBMFYSA-N 1 0 373.464 3.340 1 0 FGAFRO Clc1ccc2nc(N3CC[NH2+]C[C@@H]3COc3cccnc3)sc2c1 ZINC000114576224 206095287 /nfs/dbraw/zinc/09/52/87/206095287.db2.gz QXUMUVOKKODEOL-CYBMUJFWSA-N 1 0 360.870 3.202 1 0 FGAFRO C[NH+]1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc32)CC1 ZINC000169341659 206252393 /nfs/dbraw/zinc/25/23/93/206252393.db2.gz CNJLQPMEVJPMIO-UHFFFAOYSA-N 1 0 367.474 3.272 1 0 FGAFRO Cc1c(OCc2ccccc2)ccc2c(N3CC[NH2+]CC3)cc(=O)oc12 ZINC000049942724 136123906 /nfs/dbraw/zinc/12/39/06/136123906.db2.gz IWLCKJITBNEFCJ-UHFFFAOYSA-N 1 0 350.418 3.090 1 0 FGAFRO Cn1c(=O)c2ccccc2nc1-c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000014211500 204575865 /nfs/dbraw/zinc/57/58/65/204575865.db2.gz PRPSMPHMELIHFQ-UHFFFAOYSA-N 1 0 363.461 3.465 1 0 in-vitro FGAFRO CC(=O)Nc1cccc2c1C[C@H](O)[C@H]([NH+]1CCC(c3ccccc3)CC1)C2 ZINC000028234893 204877019 /nfs/dbraw/zinc/87/70/19/204877019.db2.gz WUPCAAVZWULBKD-PKTZIBPZSA-N 1 0 364.489 3.353 1 0 FGAFRO Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)nc(N3CCC[NH2+]CC3)c12 ZINC000035990608 204998925 /nfs/dbraw/zinc/99/89/25/204998925.db2.gz GISIFLYAIJJETR-UHFFFAOYSA-N 1 0 362.481 3.109 1 0 FGAFRO CC(C)(C)CC[NH+]1CCC(CNC(=O)c2cc(C(F)(F)F)n[nH]2)CC1 ZINC000040833780 205083390 /nfs/dbraw/zinc/08/33/90/205083390.db2.gz IHKCRLRMFOLNLH-UHFFFAOYSA-N 1 0 360.424 3.307 1 0 FGAFRO O=C1NCCc2c3c(CC[NH2+]Cc4cccc5cccnc54)c[nH]c3ccc21 ZINC000043078105 205101503 /nfs/dbraw/zinc/10/15/03/205101503.db2.gz NXDMLDJTEYAEAK-UHFFFAOYSA-N 1 0 370.456 3.334 1 0 FGAFRO O=S(=O)(c1cn([C@H]2CC[NH2+]C2)c2cc(F)ccc12)c1cccc(F)c1 ZINC000049034845 205169553 /nfs/dbraw/zinc/16/95/53/205169553.db2.gz LXGVLIKOOQJCKX-AWEZNQCLSA-N 1 0 362.401 3.287 1 0 FGAFRO O=C(c1ccoc1)N1CCOC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000064559886 205300659 /nfs/dbraw/zinc/30/06/59/205300659.db2.gz SLIFLCGOQYVBQV-UHFFFAOYSA-N 1 0 374.868 3.440 1 0 FGAFRO Cc1cc(NC(=O)c2cn[nH]c2)ccc1N1CC[C@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000059263570 205279824 /nfs/dbraw/zinc/27/98/24/205279824.db2.gz MXIVMTFMGCHKJZ-YJBOKZPZSA-N 1 0 353.470 3.033 1 0 FGAFRO CCCCOc1cc(C(=O)N(C)CC[NH+](CC)CC)nn1-c1ccccc1 ZINC000169328754 206252167 /nfs/dbraw/zinc/25/21/67/206252167.db2.gz CHLBWOWBLVHZBC-UHFFFAOYSA-N 1 0 372.513 3.465 1 0 FGAFRO O=S(=O)(c1ccccc1)N1CCC2(CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000003956047 132386113 /nfs/dbraw/zinc/38/61/13/132386113.db2.gz NMHMVZJUGHQUOC-UHFFFAOYSA-N 1 0 371.506 3.153 1 0 FGAFRO COc1ccc(CC[NH2+]CC[C@H]2CN(C)c3ccccc3O2)cc1OC ZINC000013780747 132871419 /nfs/dbraw/zinc/87/14/19/132871419.db2.gz JJMFEDURPBMSOI-KRWDZBQOSA-N 1 0 356.466 3.123 1 0 FGAFRO C[NH2+]CCCCN1Cc2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049035645 132953269 /nfs/dbraw/zinc/95/32/69/132953269.db2.gz OWEYOMCWVMSOQF-UHFFFAOYSA-N 1 0 363.458 3.024 1 0 FGAFRO C[NH+](C)CCCN1c2ccc(NC(=N)c3cccs3)cc2CCC1=O ZINC000073196015 535833977 /nfs/dbraw/zinc/83/39/77/535833977.db2.gz ZGZGDXYLUSYXLN-UHFFFAOYSA-N 1 0 356.495 3.416 1 0 FGAFRO COc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2)cc1 ZINC000004237944 204128066 /nfs/dbraw/zinc/12/80/66/204128066.db2.gz HBQMKCQXIDJULT-QFIPXVFZSA-N 1 0 365.477 3.219 1 0 FGAFRO Oc1ccc2c(c1)O[C@H](C[NH2+]CCCOc1ccc3ocnc3c1)CC2 ZINC000013775930 204553669 /nfs/dbraw/zinc/55/36/69/204553669.db2.gz DAQQNLJMVSQRSY-KRWDZBQOSA-N 1 0 354.406 3.286 1 0 FGAFRO C[N@@H+]1CCC[C@H](CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000036289026 205009074 /nfs/dbraw/zinc/00/90/74/205009074.db2.gz PZWKLTYXDORWCQ-HNNXBMFYSA-N 1 0 364.449 3.434 1 0 FGAFRO CCCCOc1ccc(-c2ccc(CCC([NH3+])(CO)CO)cc2)c(F)c1 ZINC000038267275 205039891 /nfs/dbraw/zinc/03/98/91/205039891.db2.gz GXUFXEHNMOMLNG-UHFFFAOYSA-N 1 0 361.457 3.286 1 0 FGAFRO C[NH2+]CCN1CCC(c2ccc3[nH]c(-c4cccnc4OC)nc3c2)CC1 ZINC000036475216 205016198 /nfs/dbraw/zinc/01/61/98/205016198.db2.gz OTBWCISHRYYXTG-UHFFFAOYSA-N 1 0 365.481 3.032 1 0 FGAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[C@H]2CCCC[N@@H+]2CC1 ZINC000040466811 205071161 /nfs/dbraw/zinc/07/11/61/205071161.db2.gz BHLFSULBTRYLAE-QWHCGFSZSA-N 1 0 351.878 3.068 1 0 FGAFRO CN1CC[C@]2([C@]34CC[N@H+](C)[C@@H]3N(C)c3ccccc34)c3ccccc3N(C)[C@@H]12 ZINC000038298811 574414357 /nfs/dbraw/zinc/41/43/57/574414357.db2.gz UEOHDZULNTUKEK-LWSSLDFYSA-N 1 0 374.532 3.085 1 0 endogenous,in-man FGAFRO OC1CC[NH+](CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1 ZINC000040934014 581099577 /nfs/dbraw/zinc/09/95/77/581099577.db2.gz QWCBCDWVFAMHOI-UHFFFAOYSA-N 1 0 354.406 3.456 1 0 FGAFRO C[NH2+][C@@H]1CC[C@@]23[C@@H](C[C@@]24CCC[C@@H]14)[C@@]1(O)C[C@H]2C=C[C@@H]([C@@H]3O)[C@](C)(C2)C1 ZINC000085547478 291068988 /nfs/dbraw/zinc/06/89/88/291068988.db2.gz QDPANORNHMPXKQ-YDAIDQRWSA-N 1 0 357.538 3.259 1 0 biogenic,in-vitro FGAFRO CC[NH+](CC)CCCNC(=O)c1cc(-c2nccn2C)nc2ccccc21 ZINC000001857668 204021473 /nfs/dbraw/zinc/02/14/73/204021473.db2.gz GDYXIOUCSCHROO-UHFFFAOYSA-N 1 0 365.481 3.097 1 0 FGAFRO CCC[N@H+](CC)[C@@H](C)CN1CCc2c3ccc(OC)cc3oc(=O)c2C1 ZINC000027738277 204869042 /nfs/dbraw/zinc/86/90/42/204869042.db2.gz VNALAIYBURUVJL-HNNXBMFYSA-N 1 0 358.482 3.280 1 0 FGAFRO Cc1cc(C(C)C)[n+](CCc2ccc(S(N)(=O)=O)cc2)c(C(C)C)c1 ZINC000027990375 204871200 /nfs/dbraw/zinc/87/12/00/204871200.db2.gz RPZWNMAZDGKOIH-UHFFFAOYSA-N 1 0 361.531 3.419 1 0 FGAFRO CC(C)(Cc1c[nH]c2ccccc12)[NH2+]C[C@H](O)COc1ccccc1N ZINC000026727353 204856111 /nfs/dbraw/zinc/85/61/11/204856111.db2.gz QLBDCFRONCLXTR-INIZCTEOSA-N 1 0 353.466 3.101 1 0 FGAFRO O=c1c2c([n-]n1-c1ccc(Cl)cc1)[C@@H]1C[N@@H+](CC3CC3)CC[C@@H]1[NH+]=C2 ZINC000036088253 205003297 /nfs/dbraw/zinc/00/32/97/205003297.db2.gz QCNXINIQJHEAHO-SJORKVTESA-N 1 0 356.857 3.232 1 0 FGAFRO O=C(Oc1ccc(Br)c(Cl)c1)N1CC[NH+]2CCC1CC2 ZINC000038444564 205041657 /nfs/dbraw/zinc/04/16/57/205041657.db2.gz ABBQLVQJXBDEIM-UHFFFAOYSA-N 1 0 359.651 3.381 1 0 FGAFRO NC(=O)c1cnc(N[C@H]2CCC[NH2+]C2)c2cc(-c3ccccc3)sc21 ZINC000036470992 205016001 /nfs/dbraw/zinc/01/60/01/205016001.db2.gz CXBCJDYMIUQXNZ-ZDUSSCGKSA-N 1 0 352.463 3.226 1 0 FGAFRO CC(C)([NH3+])c1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N)n1 ZINC000040428683 205070071 /nfs/dbraw/zinc/07/00/71/205070071.db2.gz CRDGZLGWVGALRR-UHFFFAOYSA-N 1 0 362.412 3.373 1 0 FGAFRO OC1([C@@H](CN2CC[NH2+]CC2)c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000040895308 205084002 /nfs/dbraw/zinc/08/40/02/205084002.db2.gz RPFZUEYSRQOPDL-KRWDZBQOSA-N 1 0 356.432 3.389 1 0 in-vitro FGAFRO COc1ccc(C[C@@H]2c3c(ccc(OC)c3OC)CC[N@H+]2C)cc1OC ZINC000040568213 205072818 /nfs/dbraw/zinc/07/28/18/205072818.db2.gz OGVDKFSBZXJYDD-MRXNPFEDSA-N 1 0 357.450 3.493 1 0 FGAFRO O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCC[N@H+]1CC1(O)CCCCC1 ZINC000049124877 205169849 /nfs/dbraw/zinc/16/98/49/205169849.db2.gz KHFNNINHZIFWSS-RDOIFFKNSA-N 1 0 360.542 3.087 1 0 FGAFRO C[C@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CCC2)[C@@H](O5)C1=O ZINC000058563903 205277862 /nfs/dbraw/zinc/27/78/62/205277862.db2.gz BIZMIUGITFUEIN-TXGDUEDDSA-N 1 0 353.462 3.047 1 0 FGAFRO COc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)n1 ZINC000066258298 205365153 /nfs/dbraw/zinc/36/51/53/205365153.db2.gz MXQPVUOHIDIHQP-UHFFFAOYSA-N 1 0 359.499 3.063 1 0 FGAFRO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000072141139 205478721 /nfs/dbraw/zinc/47/87/21/205478721.db2.gz KVCSSYPCJHTNTA-MRXNPFEDSA-N 1 0 367.836 3.408 1 0 FGAFRO CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C ZINC000028249164 132918005 /nfs/dbraw/zinc/91/80/05/132918005.db2.gz AHCLBNDBOQTPGQ-OAHLLOKOSA-N 1 0 365.905 3.163 1 0 FGAFRO C[C@@H]1CN(c2ncc(-c3cccc(Cl)c3Cl)c(N)n2)C[C@H](C)[NH2+]1 ZINC000003966618 560191853 /nfs/dbraw/zinc/19/18/53/560191853.db2.gz SKFRRNOLFFQBQU-AOOOYVTPSA-N 1 0 352.269 3.219 1 0 in-vitro FGAFRO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2ccc([18F])cc2)CC1 ZINC000101743730 209228628 /nfs/dbraw/zinc/22/86/28/209228628.db2.gz NDJDDJXIOFVXRI-WHBREPHUSA-N 1 0 353.494 3.101 1 0 FGAFRO CC(=O)Nc1cccc(-c2cncc(Nc3cccc(OCC[NH3+])c3)n2)c1 ZINC000013679228 220083980 /nfs/dbraw/zinc/08/39/80/220083980.db2.gz ZKFXUGYLQAMRAD-UHFFFAOYSA-N 1 0 363.421 3.183 1 0 FGAFRO O=C(Cc1ccc2c(c1)CCCC2=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000003797511 206989198 /nfs/dbraw/zinc/98/91/98/206989198.db2.gz MOBNUFFDYKTZOE-IBGZPJMESA-N 1 0 354.494 3.225 1 0 FGAFRO C[N@H+](CCCNC(=O)c1[nH]nc2c1COc1ccccc1-2)C1CCCCC1 ZINC000009728812 207283561 /nfs/dbraw/zinc/28/35/61/207283561.db2.gz DUFRQCSWAUMOJO-UHFFFAOYSA-N 1 0 368.481 3.354 1 0 FGAFRO COc1ccc([C@@H]2CC[C@@H](OCCCc3ccc[n+](C)c3)O2)cc1OC ZINC000029306239 207987741 /nfs/dbraw/zinc/98/77/41/207987741.db2.gz YXLADDLCAWAQGT-RXVVDRJESA-N 1 0 358.458 3.355 1 0 FGAFRO CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@@]34C[C@@H]3C[NH2+]C4)cc2)cc1 ZINC000035308956 208122305 /nfs/dbraw/zinc/12/23/05/208122305.db2.gz SJJCRPJMKKRQSW-XLIONFOSSA-N 1 0 356.491 3.472 1 0 FGAFRO [NH3+]Cc1ccc2oc(=O)c(C(=O)Oc3cccc(Br)c3)cc2c1 ZINC000040862059 208273077 /nfs/dbraw/zinc/27/30/77/208273077.db2.gz SZUBOQCWAJPLAO-UHFFFAOYSA-N 1 0 374.190 3.233 1 0 FGAFRO COCc1c(C[NH2+][C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 ZINC000043009158 208298039 /nfs/dbraw/zinc/29/80/39/208298039.db2.gz KAFILMATCGJLAJ-DOMZBBRYSA-N 1 0 353.388 3.492 1 0 FGAFRO CC(=O)Nc1ccc2c(c1)nc1n2C[C@H]([NH3+])[C@@H](c2cc(F)c(F)cc2F)C1 ZINC000043060774 208299398 /nfs/dbraw/zinc/29/93/98/208299398.db2.gz SPNXBTBIMOOEKF-WBMJQRKESA-N 1 0 374.366 3.079 1 0 FGAFRO C[NH+](C)Cc1cn2c(nc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)s1 ZINC000045498731 208334383 /nfs/dbraw/zinc/33/43/83/208334383.db2.gz QWGQZAYXSZTUOX-UHFFFAOYSA-N 1 0 368.441 3.303 1 0 FGAFRO CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](O)[C@@H]([NH+](C)C)[C@@]3(C)CC[C@H]21 ZINC000066263374 208698115 /nfs/dbraw/zinc/69/81/15/208698115.db2.gz ZBSOWTXULBZDMS-MCSHHISBSA-N 1 0 357.494 3.369 1 0 FGAFRO C[NH+]1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)CC1 ZINC000000602685 560178463 /nfs/dbraw/zinc/17/84/63/560178463.db2.gz OLWWIAFRNOFHTL-UHFFFAOYSA-N 1 0 353.397 3.456 3 0 in-vitro FGAFRO COc1cc(C[C@@H]2[NH2+]CC[C@H]3CC(=O)C(=O)C(F)[C@@H]32)cc(OC)c1OC ZINC000100986077 209220335 /nfs/dbraw/zinc/22/03/35/209220335.db2.gz ZSESSFIOOIMOHZ-MKBNYLNASA-N 1 0 365.401 3.044 1 0 FGAFRO [NH3+]CCc1ccc(OCc2ccccc2)c(I)c1 ZINC000013681055 220084190 /nfs/dbraw/zinc/08/41/90/220084190.db2.gz BJUOCGIIRAUHDW-UHFFFAOYSA-N 1 0 353.203 3.371 1 0 FGAFRO CC(C)[NH2+]C[C@H](O)COc1cccc2c(=O)cc(-c3ccccc3)oc12 ZINC000029559685 207994276 /nfs/dbraw/zinc/99/42/76/207994276.db2.gz UMJWYQXYGAYHQP-INIZCTEOSA-N 1 0 353.418 3.198 1 0 FGAFRO Cc1nc(C(=O)NCC[NH3+])cc2c3ccccc3n(Cc3ccccc3)c21 ZINC000035067654 208116862 /nfs/dbraw/zinc/11/68/62/208116862.db2.gz UZIODCDVHUBJAH-UHFFFAOYSA-N 1 0 358.445 3.235 1 0 FGAFRO Cc1cc(NS(C)(=O)=O)cc(C)c1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000035090966 208119547 /nfs/dbraw/zinc/11/95/47/208119547.db2.gz KZUBCHUSOMKNKH-FUHWJXTLSA-N 1 0 366.527 3.318 1 0 FGAFRO CC(C)NC(=O)N1CCc2ccc(OCCC[NH+]3CCCCC3)cc2C1 ZINC000036289080 208152786 /nfs/dbraw/zinc/15/27/86/208152786.db2.gz FUMMGQDTUATFOU-UHFFFAOYSA-N 1 0 359.514 3.418 1 0 FGAFRO CC1(C)c2[nH]c3ccc(Cl)cc3c2C[C@@]23C[N@H+]4CCC[C@]4(C[C@@H]12)C(=O)N3 ZINC000040379558 208249000 /nfs/dbraw/zinc/24/90/00/208249000.db2.gz OLTNNHBFPVARTE-DQLDELGASA-N 1 0 369.896 3.378 1 0 FGAFRO O=C(C1CC2(C1)CCN(c1ccccc1)CC2)N1CC[NH+](C2CCC2)CC1 ZINC000103243068 132237149 /nfs/dbraw/zinc/23/71/49/132237149.db2.gz XYZBZWHSHNAJBO-UHFFFAOYSA-N 1 0 367.537 3.380 1 0 FGAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(NC(C)=O)cc2)C1C(=O)OC ZINC000101508211 209227230 /nfs/dbraw/zinc/22/72/30/209227230.db2.gz GWFBIOJMCSLYBK-PQMNFKMDSA-N 1 0 358.394 3.066 1 0 FGAFRO C[C@@H](CC1=N[C@H]2C(=CNN2c2ccccc2Cl)C(=O)N1)C(F)(F)F ZINC000101330044 209223760 /nfs/dbraw/zinc/22/37/60/209223760.db2.gz JPHHGFNKNXDZSD-MWODSPESSA-N 1 0 358.751 3.205 1 0 FGAFRO COc1c(F)c[n+](CCCOc2ccc3c(C)cc(=O)oc3c2)cc1F ZINC000096938841 209163843 /nfs/dbraw/zinc/16/38/43/209163843.db2.gz RRQJEIXMAJRZLX-UHFFFAOYSA-N 1 0 362.352 3.145 1 0 FGAFRO COc1cc2sn(CCCC[NH+]3CCCCC3)c(=O)c2cc1OC ZINC000029402355 207988988 /nfs/dbraw/zinc/98/89/88/207988988.db2.gz ZEYDUXPLPZILDG-UHFFFAOYSA-N 1 0 350.484 3.346 1 0 FGAFRO CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@]1(CC[NH3+])c1ccccc1 ZINC000036184678 208149720 /nfs/dbraw/zinc/14/97/20/208149720.db2.gz VZJZHIKRRFMIGO-HXUWFJFHSA-N 1 0 372.419 3.348 1 0 FGAFRO COC1=C[C@@H]2C=Cc3c(CC[NH+](C)C)cc4c(c3[C@@H]2C=C1OC)OCO4 ZINC000040864476 208272773 /nfs/dbraw/zinc/27/27/73/208272773.db2.gz XPALUHVBMIQPSU-XJKSGUPXSA-N 1 0 355.434 3.320 1 0 FGAFRO OCCC[NH+]1CCN(C2=Nc3ccccc3Cn3c2cc2ccccc23)CC1 ZINC000040812385 208270848 /nfs/dbraw/zinc/27/08/48/208270848.db2.gz VMDZTXYBZFAUKK-UHFFFAOYSA-N 1 0 374.488 3.081 1 0 FGAFRO c1ccc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC000045391636 208332756 /nfs/dbraw/zinc/33/27/56/208332756.db2.gz KWISDALZLQQZFR-BGYRXZFFSA-N 1 0 357.461 3.107 1 0 FGAFRO CN(C)C(=O)N[C@H]1CC[C@H](CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000101505839 132234240 /nfs/dbraw/zinc/23/42/40/132234240.db2.gz JLNHYHADCFCEMM-KDURUIRLSA-N 1 0 358.530 3.029 1 0 FGAFRO Nc1nc(N2CCSCC2)nc(-c2ccc(Cl)cc2Cl)c1C[NH3+] ZINC000003961855 132386126 /nfs/dbraw/zinc/38/61/26/132386126.db2.gz JBKQCDCXBRRKLB-UHFFFAOYSA-N 1 0 370.309 3.045 1 0 FGAFRO O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1ccc2ccccc2n1 ZINC000095574009 209082799 /nfs/dbraw/zinc/08/27/99/209082799.db2.gz KKHBYNBHPMWTCF-FCHUYYIVSA-N 1 0 372.472 3.065 1 0 FGAFRO Cn1c2ccc(S(=O)(=O)c3ccccc3F)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000073198003 221561924 /nfs/dbraw/zinc/56/19/24/221561924.db2.gz VNXPNBKXJFLXQN-WBMJQRKESA-N 1 0 370.449 3.499 1 0 FGAFRO C[C@H]1C[C@H](OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000022926547 494542368 /nfs/dbraw/zinc/54/23/68/494542368.db2.gz SFIMEMADLNGLGG-BVSLBCMMSA-N 1 0 374.569 3.397 1 0 FGAFRO COc1cc(C[C@@H]2[NH2+]CC[C@@H]3C(F)C(=O)C(=O)C[C@H]23)cc(OC)c1OC ZINC000195046590 209615190 /nfs/dbraw/zinc/61/51/90/209615190.db2.gz IUCYJGARTZONQF-AVGNSLFASA-N 1 0 365.401 3.044 1 0 FGAFRO O=C(c1nc(-c2ccc(C(F)(F)F)cc2)n2ccccc12)N1CC[NH2+]CC1 ZINC000103298997 209252431 /nfs/dbraw/zinc/25/24/31/209252431.db2.gz IVMQEKUGZJIVPF-UHFFFAOYSA-N 1 0 374.366 3.066 1 0 FGAFRO [NH2+]=C1N[C@@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@H]2CS1 ZINC000096929121 209163154 /nfs/dbraw/zinc/16/31/54/209163154.db2.gz PXQWSONWLAAKGA-APPDUMDISA-N 1 0 358.854 3.264 1 0 FGAFRO CCCN1CNC(=O)C12CC[NH+]([C@H]1CCCC[C@H]1c1ccccc1)CC2 ZINC000096903992 209159925 /nfs/dbraw/zinc/15/99/25/209159925.db2.gz LJMDGQMIYHIQTC-PMACEKPBSA-N 1 0 355.526 3.347 1 0 FGAFRO C[NH+](C)CCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2cccnc21 ZINC000003927092 206996233 /nfs/dbraw/zinc/99/62/33/206996233.db2.gz QFJMKWALUAWNKC-UHFFFAOYSA-N 1 0 363.870 3.084 1 0 FGAFRO CC1=C(C(=O)Nc2ccc(F)cc2F)C2(CC[NH+](C(C)C)CC2)OC1=O ZINC000008600168 207238500 /nfs/dbraw/zinc/23/85/00/207238500.db2.gz QDGPQQUZDPFYEB-UHFFFAOYSA-N 1 0 364.392 3.020 1 0 FGAFRO O=C(c1ccc2cc(OCCC[NH+]3CCCCC3)ccc2n1)N1CCC1 ZINC000035942193 208138153 /nfs/dbraw/zinc/13/81/53/208138153.db2.gz UKNFAYKMVKYMSA-UHFFFAOYSA-N 1 0 353.466 3.336 1 0 FGAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N(C)CC[NH2+]C)cc1 ZINC000038322617 208201407 /nfs/dbraw/zinc/20/14/07/208201407.db2.gz AWOVUCXRNCPPEA-NRFANRHFSA-N 1 0 353.510 3.409 1 0 FGAFRO CCCCOc1ccc(-c2ccc(CCC([NH3+])(CO)CO)cc2)c(C)c1 ZINC000038208702 208202159 /nfs/dbraw/zinc/20/21/59/208202159.db2.gz VBBNWIOFSLPDPL-UHFFFAOYSA-N 1 0 357.494 3.456 1 0 FGAFRO CCOc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 ZINC000040846184 208271220 /nfs/dbraw/zinc/27/12/20/208271220.db2.gz ZBNSUYNLJGCXBI-UHFFFAOYSA-O 1 0 352.410 3.472 1 0 FGAFRO C[C@]([NH3+])(CO)C(=O)Nc1ccc(OCCc2cccc3ccccc32)cc1 ZINC000040845140 208270187 /nfs/dbraw/zinc/27/01/87/208270187.db2.gz SYNOFHSEGINBLR-QFIPXVFZSA-N 1 0 364.445 3.110 1 0 FGAFRO [NH3+]CCC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1cccc(O)c1 ZINC000045388971 208333348 /nfs/dbraw/zinc/33/33/48/208333348.db2.gz GAPMIGVZZJVPIM-FQEVSTJZSA-N 1 0 369.852 3.350 1 0 FGAFRO CCCN1c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2OCC1=O ZINC000103249213 132237358 /nfs/dbraw/zinc/23/73/58/132237358.db2.gz LUUUSEXDOHCPPQ-UHFFFAOYSA-N 1 0 365.477 3.144 1 0 FGAFRO O=C1C[C@@H](c2ccccc2)CN1c1cnc2c(cccc2N2CC[NH2+]CC2)c1 ZINC000169347297 132261726 /nfs/dbraw/zinc/26/17/26/132261726.db2.gz GIQNFCNDIZCJAU-LJQANCHMSA-N 1 0 372.472 3.165 1 0 FGAFRO O=C1O[C@H](c2ccccc2Cl)CN1c1ccc(N2CC[NH2+]CC2)cc1 ZINC000169347329 132261768 /nfs/dbraw/zinc/26/17/68/132261768.db2.gz VLRIACDYQXMUBQ-SFHVURJKSA-N 1 0 357.841 3.448 1 0 FGAFRO COc1ccc2c(c1)C(=O)c1c-2c(N2CC[NH2+][C@@H](C)C2)nc2ccccc12 ZINC000029055591 136153575 /nfs/dbraw/zinc/15/35/75/136153575.db2.gz LQLWDSCKCPHKMO-ZDUSSCGKSA-N 1 0 359.429 3.253 1 0 FGAFRO Cc1cc2nc([C@H]3CCOC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C ZINC000103247287 209249216 /nfs/dbraw/zinc/24/92/16/209249216.db2.gz ANHBUKWTOYLNKK-ZDUSSCGKSA-N 1 0 374.448 3.254 1 0 FGAFRO C[C@@H](CC1=N[C@@H]2C(=CNN2c2ccccc2Cl)C(=O)N1)C(F)(F)F ZINC000101330040 209223920 /nfs/dbraw/zinc/22/39/20/209223920.db2.gz JPHHGFNKNXDZSD-RVBZMBCESA-N 1 0 358.751 3.205 1 0 FGAFRO COc1ccc2c(c1)Sc1ccccc1[C@@H]([NH+]1CCN(CCO)CC1)C2 ZINC000045192963 208326724 /nfs/dbraw/zinc/32/67/24/208326724.db2.gz UIWBFHPUMNVMAI-IBGZPJMESA-N 1 0 370.518 3.054 1 0 FGAFRO CC(C)[NH2+]CCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1 ZINC000028132861 517447715 /nfs/dbraw/zinc/44/77/15/517447715.db2.gz HONKZKLQCHDHBT-UHFFFAOYSA-N 1 0 358.463 3.255 1 0 FGAFRO Cc1nnc(CO)n1-c1ccc(Cl)cc1[C@@H]([NH3+])c1ccccc1Cl ZINC000148889352 209382992 /nfs/dbraw/zinc/38/29/92/209382992.db2.gz RDCGAQFBSIWMKO-KRWDZBQOSA-N 1 0 363.248 3.423 1 0 FGAFRO C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118917898 209348951 /nfs/dbraw/zinc/34/89/51/209348951.db2.gz OIEDDWOQRVAKTI-FZIBVVHSSA-N 1 0 360.542 3.142 1 0 FGAFRO COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]12 ZINC000100386978 209212894 /nfs/dbraw/zinc/21/28/94/209212894.db2.gz GRTOGORTSDXSFK-GJZVTGKDSA-N 1 0 352.434 3.179 1 0 FGAFRO Cc1cc(NC(=O)[C@@H]2CCCO2)ccc1N1CC[C@@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000096286316 209149880 /nfs/dbraw/zinc/14/98/80/209149880.db2.gz GPSCHCFBKYKZKJ-HQRMLTQVSA-N 1 0 357.498 3.176 1 0 FGAFRO CCCC[C@@H](O)C1=C[C@@H]2Oc3c4c(ccc3OC)C[C@@H]3[C@@H](C1)[C@@]42CC[N@@H+]3C ZINC000027712042 207937931 /nfs/dbraw/zinc/93/79/31/207937931.db2.gz IJNLAPNMNMHBJS-FEINNRIKSA-N 1 0 369.505 3.452 1 0 FGAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc2nc(-c3ccn4ncnc4n3)ccc2c1 ZINC000035858532 208137094 /nfs/dbraw/zinc/13/70/94/208137094.db2.gz AGDVFPLNDDIXBY-OAHLLOKOSA-N 1 0 358.449 3.366 1 0 FGAFRO CCOc1cc2cc3[n+](cc2cc1OC)CCc1cc2c(cc1-3)OCO2 ZINC000040977377 208278035 /nfs/dbraw/zinc/27/80/35/208278035.db2.gz CEHIAYBYDVULBE-UHFFFAOYSA-N 1 0 350.394 3.486 1 0 FGAFRO C[N@@H+]1CCC=C([C@H]2SCC(=O)N2c2ccc(Br)cc2)C1 ZINC000045283797 208330006 /nfs/dbraw/zinc/33/00/06/208330006.db2.gz BGLVAUILMJOEOE-OAHLLOKOSA-N 1 0 353.285 3.117 1 0 FGAFRO COc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cnc2ccccc21 ZINC000045196341 208327598 /nfs/dbraw/zinc/32/75/98/208327598.db2.gz NDNAGLVRQAPTRG-KRWDZBQOSA-N 1 0 361.445 3.248 1 0 FGAFRO CNC(=O)c1cccc(C2CC[NH+](Cc3nc4ccccc4n3C)CC2)c1 ZINC000071319091 208761879 /nfs/dbraw/zinc/76/18/79/208761879.db2.gz GAPMBGSOAFXGAH-UHFFFAOYSA-N 1 0 362.477 3.313 1 0 FGAFRO [NH3+]CCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2ccccc21 ZINC000040892113 136120546 /nfs/dbraw/zinc/12/05/46/136120546.db2.gz ULMYQZNGMAVAOW-UHFFFAOYSA-N 1 0 362.477 3.499 1 0 FGAFRO Fc1ccc(Nc2cc(N[C@H]3CCC[NH2+]C3)nc3ccnn32)cc1Cl ZINC000095552606 209078393 /nfs/dbraw/zinc/07/83/93/209078393.db2.gz DQHGXHGUNOSYSE-LBPRGKRZSA-N 1 0 360.824 3.429 1 0 FGAFRO CCN1C(NCC(C)C)=[NH+][C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000169355684 222566697 /nfs/dbraw/zinc/56/66/97/222566697.db2.gz IFSYXAWGAODQOG-UHOSZYNNSA-N 1 0 359.514 3.103 1 0 FGAFRO Clc1ccc2nc(N3CC[NH2+]C[C@H]3COc3cccnc3)sc2c1 ZINC000114576226 209341273 /nfs/dbraw/zinc/34/12/73/209341273.db2.gz QXUMUVOKKODEOL-ZDUSSCGKSA-N 1 0 360.870 3.202 1 0 FGAFRO Cc1cc2nc([C@@H]3CCOC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C ZINC000103247286 209250036 /nfs/dbraw/zinc/25/00/36/209250036.db2.gz ANHBUKWTOYLNKK-CYBMUJFWSA-N 1 0 374.448 3.254 1 0 FGAFRO COc1ccc(NC(=S)c2c3n(c(=O)c4ccccc42)CCN3)cc1 ZINC000101556387 209227459 /nfs/dbraw/zinc/22/74/59/209227459.db2.gz NMMVOSSSDUAQGO-UHFFFAOYSA-N 1 0 351.431 3.223 1 0 FGAFRO CN(C(=O)Cc1ccccc1)[C@H]1C[C@]2(CCCO2)CC[C@@H]1[NH+]1CCCC1 ZINC000096903308 209160910 /nfs/dbraw/zinc/16/09/10/209160910.db2.gz PGJPPWQHDNODBR-ONTIZHBOSA-N 1 0 356.510 3.254 1 0 FGAFRO O=C(C[NH2+]C1CCCCC1)N1CCC[C@H]1C(=O)c1nc2ccccc2s1 ZINC000028372553 207962910 /nfs/dbraw/zinc/96/29/10/207962910.db2.gz JUKKLTLYMFFAKS-INIZCTEOSA-N 1 0 371.506 3.392 1 0 FGAFRO CCCc1cc(=O)oc2c1c1c(c3c2C(=O)C[C@H](C[NH3+])O3)C=CC(C)(C)O1 ZINC000045283667 208329663 /nfs/dbraw/zinc/32/96/63/208329663.db2.gz HDGSIJRYKZMEHD-GFCCVEGCSA-N 1 0 369.417 3.222 1 0 FGAFRO Cn1c2ccc(S(=O)(=O)c3cccc(F)c3)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000073198005 221562193 /nfs/dbraw/zinc/56/21/93/221562193.db2.gz GTPXAZMVRSAQCK-DYVFJYSZSA-N 1 0 370.449 3.499 1 0 FGAFRO Cc1nc(N)cc2c1cc(-c1cnc3[nH]ncc3c1)c(=O)n2C1CCCC1 ZINC000103260635 209250895 /nfs/dbraw/zinc/25/08/95/209250895.db2.gz BNIPUKZJMJVTAM-UHFFFAOYSA-N 1 0 360.421 3.341 1 0 FGAFRO COc1cc(C[C@H]2[NH2+]CC[C@H]3C(F)C(=O)C(=O)C[C@H]23)cc(OC)c1OC ZINC000100990516 209220969 /nfs/dbraw/zinc/22/09/69/209220969.db2.gz IUCYJGARTZONQF-FRRDWIJNSA-N 1 0 365.401 3.044 1 0 FGAFRO c1ccc(-c2nc3c4ccccc4nc(NCC[NH+]4CCCC4)n3n2)cc1 ZINC000006805408 207167013 /nfs/dbraw/zinc/16/70/13/207167013.db2.gz GCXFNTTZGRNFFJ-UHFFFAOYSA-N 1 0 358.449 3.452 1 0 FGAFRO C[C@H]1OC(c2ccccc2)(c2ccccc2)OC[C@H]1C[NH+]1CCN(C)CC1 ZINC000028816383 207976624 /nfs/dbraw/zinc/97/66/24/207976624.db2.gz SJMBEOUPGLPONN-WOJBJXKFSA-N 1 0 366.505 3.187 1 0 FGAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2nc(-c3cccnc3)c[nH]2)cc1 ZINC000039241330 208209157 /nfs/dbraw/zinc/20/91/57/208209157.db2.gz GBIPFTGFDWOBEF-QGZVFWFLSA-N 1 0 366.465 3.267 1 0 FGAFRO COc1cc(C(=O)n2ccc3cc(C[NH+](C)C)ccc32)cc(OC)c1OC ZINC000040919181 208274951 /nfs/dbraw/zinc/27/49/51/208274951.db2.gz CFSOFNGQPZCHDN-UHFFFAOYSA-N 1 0 368.433 3.417 1 0 FGAFRO Cc1cc(N)c2cc(NC(=O)c3ccc(N4CCOCC4)cc3)ccc2[nH+]1 ZINC000103237085 132237331 /nfs/dbraw/zinc/23/73/31/132237331.db2.gz SWDOCRRVPCGTPK-UHFFFAOYSA-N 1 0 362.433 3.214 1 0 FGAFRO COc1ccc2c(c1)C[C@@H](CC[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000013470691 132867495 /nfs/dbraw/zinc/86/74/95/132867495.db2.gz MQYILSGYILZXMS-GOSISDBHSA-N 1 0 351.494 3.407 1 0 FGAFRO O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1cccc2cccnc21 ZINC000095577584 209082534 /nfs/dbraw/zinc/08/25/34/209082534.db2.gz QSYJILKWYMPMRH-RBBKRZOGSA-N 1 0 372.472 3.065 1 0 FGAFRO Cc1ccc(F)cc1-c1cc2nc(NCCC[NH+](C)C)n(C)c(=O)c2s1 ZINC000061906958 212027240 /nfs/dbraw/zinc/02/72/40/212027240.db2.gz LPCKPCLQKOGMCT-UHFFFAOYSA-N 1 0 374.485 3.473 3 0 FGAFRO O=C(NCCN1CC[NH+]([C@@H]2CCCc3ccccc32)CC1)c1ccccc1 ZINC000022777670 211362467 /nfs/dbraw/zinc/36/24/67/211362467.db2.gz GFORNYWGPFXWHV-JOCHJYFZSA-N 1 0 363.505 3.112 1 0 FGAFRO O[C@@H]1c2ccc(F)cc2C[C@H]1[NH+]1CCC(c2cccc3c2OCCO3)CC1 ZINC000013471787 211036085 /nfs/dbraw/zinc/03/60/85/211036085.db2.gz OYAFLVNFRTYRSK-TZIWHRDSSA-N 1 0 369.436 3.435 1 0 FGAFRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000066076124 221239033 /nfs/dbraw/zinc/23/90/33/221239033.db2.gz REOUECWEXCRKKK-SFHVURJKSA-N 1 0 367.424 3.243 1 0 FGAFRO C[N@@H+]1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O ZINC000071329426 221343546 /nfs/dbraw/zinc/34/35/46/221343546.db2.gz CJMVJEMHSLDPMO-QGZVFWFLSA-N 1 0 351.425 3.221 1 0 FGAFRO O=C1N=C2C(=Cc3ccc(F)cc3)C[NH2+]CC2[C@H](c2ccc(F)cc2)N1 ZINC000096270589 222106812 /nfs/dbraw/zinc/10/68/12/222106812.db2.gz XYXCMPQYKULDMW-MXHVWWQHSA-N 1 0 353.372 3.260 1 0 FGAFRO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccc(F)cc1 ZINC000096941628 222145354 /nfs/dbraw/zinc/14/53/54/222145354.db2.gz JRWGGFAAWXEFJO-FUMNGEBKSA-N 1 0 364.420 3.146 1 0 FGAFRO CCn1cnc2c1nc(N[C@H]1CC[C@H]([NH3+])CC1)nc2Nc1ccc(F)cc1 ZINC000100821261 222254000 /nfs/dbraw/zinc/25/40/00/222254000.db2.gz GPINDKALSCBEKJ-OTVXOJSOSA-N 1 0 369.448 3.411 1 0 FGAFRO COc1cc(C[C@@H]2[NH2+]CC[C@H]3CC(=O)C(=O)C(F)[C@H]32)cc(OC)c1OC ZINC000100986083 222259979 /nfs/dbraw/zinc/25/99/79/222259979.db2.gz ZSESSFIOOIMOHZ-MQIPJXDCSA-N 1 0 365.401 3.044 1 0 FGAFRO CC(=O)c1ccc(-c2cn(C[C@@H]3Cc4c5ccccc5[nH]c4C[NH2+]3)nn2)cc1 ZINC000064744329 212043594 /nfs/dbraw/zinc/04/35/94/212043594.db2.gz JRQZYXKUJJDQMP-KRWDZBQOSA-N 1 0 371.444 3.344 1 0 FGAFRO Fc1cc(F)cc(-c2cn(C[C@@H]3Cc4c5ccccc5[nH]c4C[NH2+]3)nn2)c1 ZINC000064513636 212038517 /nfs/dbraw/zinc/03/85/17/212038517.db2.gz WWMIIVORPKUHDW-HNNXBMFYSA-N 1 0 365.387 3.419 1 0 FGAFRO CC[NH+](CC)[C@@H](C)CCN1C(=O)C[C@@]2(CCCc3cc(OC)ccc32)C1=O ZINC000027618146 211467129 /nfs/dbraw/zinc/46/71/29/211467129.db2.gz SAKMFRUGJVRBKD-KSFYIVLOSA-N 1 0 372.509 3.149 1 0 FGAFRO Cc1ccc2c(c1)[C@@H]([NH+]1CCN(CCO)CC1)C[C@H]2c1ccc(F)cc1 ZINC000022937884 211371009 /nfs/dbraw/zinc/37/10/09/211371009.db2.gz PIFJXKYJXNZXRB-UNMCSNQZSA-N 1 0 354.469 3.321 1 0 FGAFRO CCN1C(NCc2ccccc2)=[NH+][C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000015937398 211151200 /nfs/dbraw/zinc/15/12/00/211151200.db2.gz NRBDUROVHLTIAX-AHRSYUTCSA-N 1 0 365.477 3.387 3 0 FGAFRO O=C1Nc2cccc3c2[C@@]1(CCCC[N@@H+]1CCc2nc[nH]c2C1)CCC3 ZINC000013817866 211062257 /nfs/dbraw/zinc/06/22/57/211062257.db2.gz AECKIVMAUDSDRJ-OAQYLSRUSA-N 1 0 350.466 3.165 1 0 FGAFRO CCCCS(=O)(=O)N1CCC[C@H]2C[N@@H+]3CCc4ccccc4[C@@H]3C[C@@H]21 ZINC000013820213 211062316 /nfs/dbraw/zinc/06/23/16/211062316.db2.gz NEHJXQPQNFMIKM-IHPCNDPISA-N 1 0 362.539 3.200 1 0 FGAFRO CN1C(=O)N(Cc2ccccc2)C[C@H]1Cc1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000013603568 211043143 /nfs/dbraw/zinc/04/31/43/211043143.db2.gz AGVADLPAQQHKAL-LJQANCHMSA-N 1 0 362.477 3.148 1 0 FGAFRO Cc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000001658766 210364545 /nfs/dbraw/zinc/36/45/45/210364545.db2.gz HYVILQSBFXXAJG-IBURTVSXSA-N 1 0 372.468 3.395 1 0 FGAFRO c1ccc2oc(C3CCN(c4cc(C5CC[NH2+]CC5)ncn4)CC3)nc2c1 ZINC000039379916 136119023 /nfs/dbraw/zinc/11/90/23/136119023.db2.gz RJFALNBNEFRGEF-UHFFFAOYSA-N 1 0 363.465 3.469 1 0 FGAFRO [NH2+]=C1N[C@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@@H]2CS1 ZINC000096929120 222141114 /nfs/dbraw/zinc/14/11/14/222141114.db2.gz PXQWSONWLAAKGA-DIFFPNOSSA-N 1 0 358.854 3.264 1 0 FGAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(NC(C)=O)cc2)C1C(=O)OC ZINC000100028525 222233153 /nfs/dbraw/zinc/23/31/53/222233153.db2.gz GWFBIOJMCSLYBK-KCGBVJQISA-N 1 0 358.394 3.066 1 0 FGAFRO CN1N=C(c2ccc(OC3CC[NH+](C4CCCC4)CC3)cc2)[C@H]2C[C@H]2C1=O ZINC000103260427 222328943 /nfs/dbraw/zinc/32/89/43/222328943.db2.gz JFRUETNFZHUWLL-VQTJNVASSA-N 1 0 367.493 3.285 1 0 FGAFRO O=C(Cn1[nH+]cc2c3ccccc3nc-2c1O)Nc1ccc(F)cc1F ZINC000101911216 222287208 /nfs/dbraw/zinc/28/72/08/222287208.db2.gz UIYLQKIOJMQJAC-UHFFFAOYSA-N 1 0 354.316 3.159 1 0 FGAFRO C[C@@H](c1ccc(-c2ccncc2Cl)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 ZINC000087668999 581095166 /nfs/dbraw/zinc/09/51/66/581095166.db2.gz XWKBMXDFQAXMDP-QITLCBANSA-N 1 0 361.848 3.403 1 0 FGAFRO COC(=O)[C@@]12CC[C@]3(C=CC[N@@H+]4CC[C@@]5(c6cccc(OC)c6N=C15)[C@@H]43)C2 ZINC000095912649 291069268 /nfs/dbraw/zinc/06/92/68/291069268.db2.gz IUFMIZJRZKMHTI-PDGJWGCVSA-N 1 0 364.445 3.007 1 0 biogenic,in-vitro FGAFRO [NH3+]CCCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000059125155 212015219 /nfs/dbraw/zinc/01/52/19/212015219.db2.gz MPEXHDSIFAAJAL-OAQYLSRUSA-N 1 0 371.912 3.313 1 0 in-vivo FGAFRO CN1C(=O)[C@@H](C[NH+]2CCCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000040981279 211768000 /nfs/dbraw/zinc/76/80/00/211768000.db2.gz YRXUATCBFOOCNO-ZBFHGGJFSA-N 1 0 351.288 3.454 1 0 FGAFRO NC(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH3+])nc1Nc1cccc(Cl)c1 ZINC000034033653 211615098 /nfs/dbraw/zinc/61/50/98/211615098.db2.gz MMFBBQQGBVPLQQ-GJZGRUSLSA-N 1 0 359.861 3.259 1 0 FGAFRO [NH3+]CCNc1ccn2ncc(-c3cccc(OCc4ccccc4)c3)c2n1 ZINC000096286354 222110885 /nfs/dbraw/zinc/11/08/85/222110885.db2.gz IBESYJMYJHCZDM-UHFFFAOYSA-N 1 0 359.433 3.346 1 0 FGAFRO [NH2+]=C1N[C@@]2(CCc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CS1 ZINC000096929116 222141172 /nfs/dbraw/zinc/14/11/72/222141172.db2.gz BXBCTBZVFUCZMK-KRWDZBQOSA-N 1 0 358.854 3.190 1 0 FGAFRO COc1cc(C[C@@H]2[NH2+]CC[C@H]3C(F)C(=O)C(=O)C[C@H]32)cc(OC)c1OC ZINC000100990512 222259319 /nfs/dbraw/zinc/25/93/19/222259319.db2.gz IUCYJGARTZONQF-UPJWGTAASA-N 1 0 365.401 3.044 1 0 FGAFRO Clc1ccc2c(-c3ccccc3)cc(CCN3CC[NH2+]CC3)nc2n1 ZINC000103278470 222330516 /nfs/dbraw/zinc/33/05/16/222330516.db2.gz ZROHHWACVXZPSX-UHFFFAOYSA-N 1 0 352.869 3.398 1 0 FGAFRO C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC[NH3+] ZINC000029051828 211503989 /nfs/dbraw/zinc/50/39/89/211503989.db2.gz CNMPLLIERZWKRQ-DJTSXAEDSA-N 1 0 363.542 3.039 1 0 FGAFRO CC[NH+](CC)CC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1 ZINC000001622973 210362742 /nfs/dbraw/zinc/36/27/42/210362742.db2.gz CJPWNBNMOISVOL-JOCHJYFZSA-N 1 0 362.477 3.379 1 0 FGAFRO [NH3+][C@H](Cc1cc(F)ccc1F)C1CC[NH+]([C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000066075818 221239535 /nfs/dbraw/zinc/23/95/35/221239535.db2.gz OUYYJIKUXWSIGZ-LSBZLQRGSA-N 1 0 366.452 3.190 1 0 FGAFRO [NH3+][C@H]1CN(c2cc(-c3cc(F)cc(F)c3F)ncn2)C[C@@H]1c1ccccc1 ZINC000066080452 221240335 /nfs/dbraw/zinc/24/03/35/221240335.db2.gz FJQSYSMMQVIFQP-WBVHZDCISA-N 1 0 370.378 3.492 1 0 FGAFRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071329057 221344062 /nfs/dbraw/zinc/34/40/62/221344062.db2.gz QQXYLDQBGTVJBJ-XAPVIXHLSA-N 1 0 356.510 3.150 1 0 FGAFRO [NH3+][C@H]1CN(c2cnc3ccccc3n2)CC[C@@H]1c1cc(F)c(F)cc1F ZINC000028707339 132918993 /nfs/dbraw/zinc/91/89/93/132918993.db2.gz BAAYIRHOIXMWPH-BZNIZROVSA-N 1 0 358.367 3.368 1 0 FGAFRO Nc1nc2c(oc3ccc(Cl)c(Cl)c32)c(N2CCC[C@H]([NH3+])C2)n1 ZINC000073170232 136149957 /nfs/dbraw/zinc/14/99/57/136149957.db2.gz IQOXQNJSUVZSKD-ZETCQYMHSA-N 1 0 352.225 3.193 1 0 FGAFRO Cn1c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2c2c1C[C@@H]1CC[C@H]2[NH2+]1 ZINC000073198008 221561565 /nfs/dbraw/zinc/56/15/65/221561565.db2.gz DYIARSQFUAIKJI-SUMWQHHRSA-N 1 0 370.449 3.499 1 0 FGAFRO O=C1N=C2C(=Cc3ccc(F)cc3)C[NH2+]CC2[C@@H](c2ccc(F)cc2)N1 ZINC000096270588 222107739 /nfs/dbraw/zinc/10/77/39/222107739.db2.gz XYXCMPQYKULDMW-MOVXZBDNSA-N 1 0 353.372 3.260 1 0 FGAFRO COc1cc2[nH+]c(N3CCN(c4ccccc4)CC3)cc(N)c2cc1OC ZINC000025981491 536895245 /nfs/dbraw/zinc/89/52/45/536895245.db2.gz NBNFVSMBGKPYLK-UHFFFAOYSA-N 1 0 364.449 3.161 1 0 FGAFRO O=S(=O)(c1cccc(Cl)c1)n1c2ccccc2c2c1CC[NH2+]CC2 ZINC000040893808 211762323 /nfs/dbraw/zinc/76/23/23/211762323.db2.gz BYPFBKVIRCYPNX-UHFFFAOYSA-N 1 0 360.866 3.220 1 0 FGAFRO O[C@H]1c2ccc(F)cc2C[C@H]1[NH+]1CCC(c2cccc3c2OCCO3)CC1 ZINC000013471785 211033959 /nfs/dbraw/zinc/03/39/59/211033959.db2.gz OYAFLVNFRTYRSK-CTNGQTDRSA-N 1 0 369.436 3.435 1 0 FGAFRO Cn1cccc1C(=O)N1CCC2(CCC[N@H+](Cc3nccs3)C2)CC1 ZINC000003956405 210502917 /nfs/dbraw/zinc/50/29/17/210502917.db2.gz GSGSSQVAZQNKKR-UHFFFAOYSA-N 1 0 358.511 3.000 1 0 FGAFRO O=C1O[C@@H](c2ccccc2Cl)CN1c1ccc(N2CC[NH2+]CC2)cc1 ZINC000169347328 132261730 /nfs/dbraw/zinc/26/17/30/132261730.db2.gz VLRIACDYQXMUBQ-GOSISDBHSA-N 1 0 357.841 3.448 1 0 FGAFRO Cc1c(OCc2cccnc2)ccc2c(N3CCC([NH3+])CC3)cc(=O)oc12 ZINC000049942639 136123959 /nfs/dbraw/zinc/12/39/59/136123959.db2.gz URMPAQXWPITJIZ-UHFFFAOYSA-N 1 0 365.433 3.003 1 0 FGAFRO COC(=O)C[C@@H]1c2ccccc2[NH+]=C(N2CCOCC2)N1c1ccccc1 ZINC000026994487 136153414 /nfs/dbraw/zinc/15/34/14/136153414.db2.gz KPUZUAXTLXGLSU-LJQANCHMSA-N 1 0 365.433 3.131 1 0 FGAFRO O=C(c1cccc(Br)c1)N1C[C@H]2CC[C@@H](C1)C2[NH+]1CCCC1 ZINC000096284389 222111202 /nfs/dbraw/zinc/11/12/02/222111202.db2.gz YMTXFWXRZYKGBA-FKEKPDDDSA-N 1 0 363.299 3.396 1 0 FGAFRO COc1ccc(N2N=[O+]C(=O)C2CNc2nc3ccc(F)cc3s2)cc1 ZINC000098085109 222228143 /nfs/dbraw/zinc/22/81/43/222228143.db2.gz MLLUAQQFGGNNAU-UHFFFAOYSA-O 1 0 373.389 3.026 1 0 FGAFRO CC(C)[NH2+]C[C@H](O)COc1ccc([S@@](=O)c2ccc(Cl)cc2)cc1 ZINC000169318957 222561802 /nfs/dbraw/zinc/56/18/02/222561802.db2.gz SHRNAQHJYLQJNR-OWJWWREXSA-N 1 0 367.898 3.244 1 0 FGAFRO COc1cccc([C@H]2CN3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@H]2[NH3+])c1 ZINC000028821843 211499201 /nfs/dbraw/zinc/49/92/01/211499201.db2.gz ZQWRLMAEBNBJTD-AQNXPRMDSA-N 1 0 368.477 3.126 1 0 FGAFRO O[C@]1(c2ccc(Cl)cc2)[C@H]([NH+]2CCCC2)c2ccccc2C2=NCCN21 ZINC000001662071 210365870 /nfs/dbraw/zinc/36/58/70/210365870.db2.gz KVHQKANIWGGWBY-TZIWHRDSSA-N 1 0 367.880 3.398 1 0 FGAFRO C[NH+]1CCN(c2nc3ccc(Cl)cc3c(NCc3cncs3)n2)CC1 ZINC000040380138 136119696 /nfs/dbraw/zinc/11/96/96/136119696.db2.gz IOTPTXZZXUCFNO-UHFFFAOYSA-N 1 0 374.901 3.104 1 0 FGAFRO COc1cc(C[C@@H]2[NH2+]CC[C@H]3C(F)C(=O)C(=O)C[C@@H]32)cc(OC)c1OC ZINC000100990518 222259592 /nfs/dbraw/zinc/25/95/92/222259592.db2.gz IUCYJGARTZONQF-AGIUHOORSA-N 1 0 365.401 3.044 1 0 FGAFRO CCc1nc(-c2ccc(OCC[NH2+]C[C@H](O)c3cccnc3)cc2)cs1 ZINC000028958987 581091922 /nfs/dbraw/zinc/09/19/22/581091922.db2.gz UWPKBBIINUNEAU-IBGZPJMESA-N 1 0 369.490 3.470 1 0 FGAFRO Cc1c(C[NH2+]C2c3ccccc3-c3ccccc32)cnc2nc(N)nc(N)c12 ZINC000005891437 581092199 /nfs/dbraw/zinc/09/21/99/581092199.db2.gz XNDJQQURWLDHAI-UHFFFAOYSA-N 1 0 368.444 3.357 1 0 FGAFRO CN(C(=O)Cc1ccccc1)[C@H]1C[C@@]2(CCCO2)CC[C@@H]1[NH+]1CCCC1 ZINC000064539951 212039325 /nfs/dbraw/zinc/03/93/25/212039325.db2.gz PGJPPWQHDNODBR-JAXLGGSGSA-N 1 0 356.510 3.254 1 0 FGAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1cccc3ccccc31)[N@@H+]2C ZINC000013778900 211057755 /nfs/dbraw/zinc/05/77/55/211057755.db2.gz WBVZUODNCPVLSS-KLIQENQMSA-N 1 0 353.418 3.021 1 0 FGAFRO COc1ccc(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CC[N@H+]2C)cc1 ZINC000013724732 211053558 /nfs/dbraw/zinc/05/35/58/211053558.db2.gz XMUMUSIKSFUJSM-GOSISDBHSA-N 1 0 357.450 3.493 1 0 FGAFRO COc1cccc(CN(CC[NH3+])C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1 ZINC000095587422 221965036 /nfs/dbraw/zinc/96/50/36/221965036.db2.gz KBPGIJMXVIVAFP-UHFFFAOYSA-N 1 0 365.437 3.078 1 0 FGAFRO COc1ccc(OC)c(NC(=O)Nc2nc([C@H]([NH3+])C(C)C)cs2)c1 ZINC000061930332 212027670 /nfs/dbraw/zinc/02/76/70/212027670.db2.gz DRWHBBYHVKZGLA-CQSZACIVSA-N 1 0 350.444 3.460 3 0 FGAFRO CC(C)OC(=O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000021324200 211311001 /nfs/dbraw/zinc/31/10/01/211311001.db2.gz LNWUPBXWYOANKB-UHFFFAOYSA-N 1 0 350.462 3.326 3 0 FGAFRO CC(C)c1csc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)n1 ZINC000020541177 211285107 /nfs/dbraw/zinc/28/51/07/211285107.db2.gz GXYGMYVYRCYUNI-IBGZPJMESA-N 1 0 373.566 3.378 3 0 FGAFRO COc1ccc2c3c(c(=O)oc2c1OC)C[N@H+](Cc1ccccc1)CC3 ZINC000013764620 211058956 /nfs/dbraw/zinc/05/89/56/211058956.db2.gz ITUXESRMFODXIB-UHFFFAOYSA-N 1 0 351.402 3.369 1 0 FGAFRO CCCOc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2n1 ZINC000013731441 211053930 /nfs/dbraw/zinc/05/39/30/211053930.db2.gz NWVOTDQIZMJKRJ-MQVJKMGUSA-N 1 0 353.466 3.379 1 0 FGAFRO Cc1ccc(C23C[C@H]4C[C@H](CC(NC(=O)NCC[NH+](C)C)(C4)C2)C3)cc1 ZINC000001510410 210358482 /nfs/dbraw/zinc/35/84/82/210358482.db2.gz SBUSMVQQRPYJAD-OTXOEQGISA-N 1 0 355.526 3.446 1 0 FGAFRO COCC[N@H+](C)[C@@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1 ZINC000096171511 222068029 /nfs/dbraw/zinc/06/80/29/222068029.db2.gz XRELUBWLPZIXSQ-NRFANRHFSA-N 1 0 363.461 3.032 1 0 FGAFRO C[C@H](c1ccncc1)[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(C(N)=O)c1)C2 ZINC000101366432 222272120 /nfs/dbraw/zinc/27/21/20/222272120.db2.gz MUZLNSIUFMZLMA-XUMLPFHTSA-N 1 0 351.450 3.316 1 0 FGAFRO NC(=O)c1cc(F)cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000101363773 222272255 /nfs/dbraw/zinc/27/22/55/222272255.db2.gz JPHCSQTXZXZBMR-RUYXUALKSA-N 1 0 354.425 3.499 1 0 FGAFRO O=S(=O)(c1c2cc(Cl)ccc2[nH]c1C1=[NH+]CCN1)c1ccccc1 ZINC000006581572 581102278 /nfs/dbraw/zinc/10/22/78/581102278.db2.gz APPCBFIMNYYQRC-UHFFFAOYSA-N 1 0 359.838 3.004 1 0 FGAFRO Cc1cc2c(s1)CC[C@H](C[NH2+][C@H]1CC[C@@H](Oc3ccccc3)[C@H]1O)C2=O ZINC000002014158 219423991 /nfs/dbraw/zinc/42/39/91/219423991.db2.gz IMKMRGOTDDUQHF-IZQPOCBFSA-N 1 0 371.502 3.362 1 0 FGAFRO COc1ccc(Cn2c(C)c(CC[NH3+])c3cc(OC(C)=O)ccc32)cc1 ZINC000004213523 219555451 /nfs/dbraw/zinc/55/54/51/219555451.db2.gz FEPRMHVEXSXGPN-UHFFFAOYSA-N 1 0 352.434 3.433 1 0 in-man FGAFRO CNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH+](C)CC2)n1 ZINC000026716640 220517793 /nfs/dbraw/zinc/51/77/93/220517793.db2.gz LIHQCVPFINJLRH-UHFFFAOYSA-N 1 0 366.444 3.455 1 0 FGAFRO C[C@H]([NH3+])Cc1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2 ZINC000027320262 220532316 /nfs/dbraw/zinc/53/23/16/220532316.db2.gz IMARFWCPUQCSCA-LBPRGKRZSA-N 1 0 351.841 3.161 1 0 FGAFRO COc1cccc2c1O[C@@H](C[NH2+]CCc1c[nH]c3ccc(F)cc13)CN2 ZINC000028571237 220578558 /nfs/dbraw/zinc/57/85/58/220578558.db2.gz BTAAVEHAAOAINP-HNNXBMFYSA-N 1 0 355.413 3.321 1 0 FGAFRO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(-c2nc(-c3cccnc3)c[nH]2)cc1 ZINC000039241329 220860470 /nfs/dbraw/zinc/86/04/70/220860470.db2.gz GBIPFTGFDWOBEF-KRWDZBQOSA-N 1 0 366.465 3.267 1 0 FGAFRO OC1([C@H](CN2CC[NH2+]CC2)c2cccc(OC(F)(F)F)c2)CCCCC1 ZINC000040394345 220903361 /nfs/dbraw/zinc/90/33/61/220903361.db2.gz MRQDQHDPSBHAEH-QGZVFWFLSA-N 1 0 372.431 3.269 1 0 in-vitro FGAFRO CCOC[C@@]1(C[NH+](CC)CC)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049032721 221017813 /nfs/dbraw/zinc/01/78/13/221017813.db2.gz XOMRRNAJGVDHKE-NRFANRHFSA-N 1 0 373.449 3.041 1 0 FGAFRO CC[NH+]1CCN(c2nc(C)nc3nc(-c4ccccc4Cl)[nH]c32)CC1 ZINC000084713786 132199134 /nfs/dbraw/zinc/19/91/34/132199134.db2.gz BWTWHSMZCKTAOD-UHFFFAOYSA-N 1 0 356.861 3.124 1 0 FGAFRO COc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccco2)c1OC ZINC000103236628 222328207 /nfs/dbraw/zinc/32/82/07/222328207.db2.gz HKJYGPPOMQQLIZ-MUJYYYPQSA-N 1 0 370.449 3.222 1 0 FGAFRO O=C1C(=C([O-])c2cccs2)CC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000102987676 222316879 /nfs/dbraw/zinc/31/68/79/222316879.db2.gz OOHTXEVODQRYSL-JMIFQINSSA-N 1 0 358.507 3.042 1 0 FGAFRO CC(C)(Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000029326585 581091919 /nfs/dbraw/zinc/09/19/19/581091919.db2.gz ANLCROLHPITTQP-GOSISDBHSA-N 1 0 352.434 3.290 1 0 FGAFRO C[NH2+]C[C@H](O)c1ccc(O)c2c1C[C@@H](Cc1cccnc1)CC(C)(C)C2 ZINC000085510726 291068989 /nfs/dbraw/zinc/06/89/89/291068989.db2.gz FDUJUSPEIBLQCP-IERDGZPVSA-N 1 0 354.494 3.414 1 0 biogenic,in-vitro FGAFRO CCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 ZINC000013444691 220066764 /nfs/dbraw/zinc/06/67/64/220066764.db2.gz KZBINGTZAGPLQP-UHFFFAOYSA-N 1 0 362.470 3.212 1 0 FGAFRO COc1cc2c(cc1O)CC[C@H]1[C@@H]3C[C@@H](C[NH+](C)C)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000028872214 220589329 /nfs/dbraw/zinc/58/93/29/220589329.db2.gz IFNJOZIBBUXVCP-ZOWAETONSA-N 1 0 359.510 3.406 1 0 FGAFRO CCC1=C[N@@H+]2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)OC)c5=O)[C@H]1C[C@H]24 ZINC000049049905 221018133 /nfs/dbraw/zinc/01/81/33/221018133.db2.gz OJPKTXCBMCNJHG-FKHUDQKESA-N 1 0 374.440 3.093 1 0 FGAFRO COc1cc([C@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2)cc(OC)c1OC ZINC000058582856 221121977 /nfs/dbraw/zinc/12/19/77/221121977.db2.gz BMUJFZPBYUTHJY-QGZVFWFLSA-N 1 0 355.438 3.217 1 0 FGAFRO [NH3+][C@@H](CO)c1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000061906495 221136381 /nfs/dbraw/zinc/13/63/81/221136381.db2.gz IWHAUUURPLOHPC-HNNXBMFYSA-N 1 0 368.462 3.370 3 0 FGAFRO COc1cccc(Cc2nn(C[C@H]3CCC[N@@H+]3C)c(=O)c3ccccc23)c1 ZINC000071316907 221341556 /nfs/dbraw/zinc/34/15/56/221341556.db2.gz JWDZDXFXHWMSGR-QGZVFWFLSA-N 1 0 363.461 3.090 1 0 FGAFRO C[NH+]1CCN(c2nc3ccc(Cl)cc3c(NCc3nccs3)n2)CC1 ZINC000040380162 136119757 /nfs/dbraw/zinc/11/97/57/136119757.db2.gz DBMLVCUNAVGNRI-UHFFFAOYSA-N 1 0 374.901 3.104 1 0 FGAFRO Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)[nH+]1 ZINC000101296953 222267843 /nfs/dbraw/zinc/26/78/43/222267843.db2.gz UZHXGTFGWPKPAD-QAQDUYKDSA-N 1 0 371.460 3.143 1 0 FGAFRO COc1ccc(-c2nc(N3CC[NH+](C)CC3)nc3ccccc32)c(OC)c1 ZINC000040877695 536523043 /nfs/dbraw/zinc/52/30/43/536523043.db2.gz SHPSKYQBUNZZGG-UHFFFAOYSA-N 1 0 364.449 3.066 1 0 FGAFRO O=c1[nH]c2ccccc2c(NCC2CC[NH2+]CC2)c1-c1nc2ccccc2[nH]1 ZINC000040429082 581101822 /nfs/dbraw/zinc/10/18/22/581101822.db2.gz WEZLSLVHHILOGK-UHFFFAOYSA-N 1 0 373.460 3.483 1 0 FGAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(=O)C[C@@H]1C[NH+]1CCCC1 ZINC000013449240 220068569 /nfs/dbraw/zinc/06/85/69/220068569.db2.gz FACSGCXGQDFEDR-CQSZACIVSA-N 1 0 369.292 3.192 1 0 FGAFRO Cc1noc(C[S@](=O)C[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000013584892 220076766 /nfs/dbraw/zinc/07/67/66/220076766.db2.gz DYTIBVLSVQCIHS-WDNXAPGXSA-N 1 0 367.902 3.016 1 0 FGAFRO CC[C@]12CCC[N@@H+]3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000013813060 220095984 /nfs/dbraw/zinc/09/59/84/220095984.db2.gz CITPXCNSMZMNIW-KDXIVRHGSA-N 1 0 370.493 3.432 1 0 FGAFRO CCCCN1C[C@]2(CC[N@@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C2)OC1=O ZINC000029220813 220597465 /nfs/dbraw/zinc/59/74/65/220597465.db2.gz HYNZBMVSTMHXCR-LAUBAEHRSA-N 1 0 374.481 3.388 1 0 FGAFRO C[NH2+]C[C@@H](O)[C@H](c1ccccc1)n1c2ccccc2n(C2CCCC2)c1=O ZINC000035858803 220794607 /nfs/dbraw/zinc/79/46/07/220794607.db2.gz PUQYZIQIINNNTQ-RTWAWAEBSA-N 1 0 365.477 3.088 1 0 FGAFRO O=C1c2ccccc2[C@@H]2C[C@H]([NH2+]C34CC5CC(CC(C5)C3)C4)[C@@H](O)CCN12 ZINC000061959043 221138380 /nfs/dbraw/zinc/13/83/80/221138380.db2.gz RZKGYAHOLPRGHE-VONJZSEQSA-N 1 0 366.505 3.265 3 0 FGAFRO O=C1c2ccccc2C(=O)N1CCC[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000072179339 221449157 /nfs/dbraw/zinc/44/91/57/221449157.db2.gz AEHPJWOORSYVKG-IBGZPJMESA-N 1 0 359.429 3.431 1 0 FGAFRO C[NH+]1CCN(c2ncnc3sc(Nc4ccc(Cl)cc4)nc32)CC1 ZINC000103287360 132237255 /nfs/dbraw/zinc/23/72/55/132237255.db2.gz XBNFKAJLSRWMJV-UHFFFAOYSA-N 1 0 360.874 3.235 1 0 FGAFRO c1ccc2c(c1)C[C@H]2CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000003776867 132251512 /nfs/dbraw/zinc/25/15/12/132251512.db2.gz DHYRQVXQZAGWKI-GOSISDBHSA-N 1 0 350.462 3.310 1 0 in-vitro FGAFRO CCn1c2ccccc2n([C@@H]2CC[N@H+](CCC(C)(C)C)C[C@H]2CO)c1=O ZINC000096888381 222136176 /nfs/dbraw/zinc/13/61/76/222136176.db2.gz SEQKVROZYRULCC-DLBZAZTESA-N 1 0 359.514 3.114 1 0 FGAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(NC(C)=O)cc2)C1C(=O)OC ZINC000100028526 222232798 /nfs/dbraw/zinc/23/27/98/222232798.db2.gz GWFBIOJMCSLYBK-LXMVLSBBSA-N 1 0 358.394 3.066 1 0 FGAFRO CCn1cnc2c1nc(N[C@H]1CC[C@@H]([NH3+])CC1)nc2Nc1cccc(F)c1 ZINC000100821326 222254380 /nfs/dbraw/zinc/25/43/80/222254380.db2.gz WKESGRBZSRGRRG-HDJSIYSDSA-N 1 0 369.448 3.411 1 0 FGAFRO CCc1ccc2[nH]c3c(c2c1)CCN(C(=O)CC[NH3+])[C@H]3c1cccc(O)c1 ZINC000045337136 581094070 /nfs/dbraw/zinc/09/40/70/581094070.db2.gz VPYMYXCPSJKVGR-QFIPXVFZSA-N 1 0 363.461 3.259 1 0 FGAFRO [NH3+][C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1)C1CC1 ZINC000013982379 581098945 /nfs/dbraw/zinc/09/89/45/581098945.db2.gz FUAKCAYITOKHOL-PMACEKPBSA-N 1 0 370.399 3.375 1 0 FGAFRO Clc1ncc(OC[C@@H]2CC[NH2+]2)cc1-c1ccc(Br)nc1 ZINC000013560805 220074689 /nfs/dbraw/zinc/07/46/89/220074689.db2.gz GCESCLVBELOUPK-JTQLQIEISA-N 1 0 354.635 3.300 1 0 FGAFRO CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O ZINC000013738798 220092378 /nfs/dbraw/zinc/09/23/78/220092378.db2.gz YAQZLVBSGFGLAC-IBGZPJMESA-N 1 0 356.510 3.469 1 0 FGAFRO CC[N@@H+]1CCC[C@H]1CN[C@@H]1c2cccnc2COc2ccc(OC)cc21 ZINC000022441276 220386753 /nfs/dbraw/zinc/38/67/53/220386753.db2.gz VXQFZPGZTLWMKG-YCRPNKLZSA-N 1 0 353.466 3.146 1 0 FGAFRO CCCn1cc[n+](CCC(C(N)=O)(c2ccccc2)c2ccccc2)c1C ZINC000026817792 220521244 /nfs/dbraw/zinc/52/12/44/220521244.db2.gz IVWLNDMKSBSIBD-UHFFFAOYSA-O 1 0 362.497 3.356 1 0 FGAFRO [NH3+][C@]12CC(C(F)(F)F)=C[C@H](Cc3[nH]c(=O)ccc31)/C2=C\C(F)(F)F ZINC000029569175 220609270 /nfs/dbraw/zinc/60/92/70/220609270.db2.gz BQYXYZYJEUBVBN-ISFOYCCKSA-N 1 0 350.262 3.082 1 0 FGAFRO O=S(=O)(c1ccccc1Cl)n1c2ccccc2c2c1CC[NH2+]CC2 ZINC000040401910 220905340 /nfs/dbraw/zinc/90/53/40/220905340.db2.gz KWHMREXWEQGZAI-UHFFFAOYSA-N 1 0 360.866 3.220 1 0 FGAFRO O=S(=O)(c1ccccc1Cl)n1ccc2cc3c(cc21)CC[NH2+]CC3 ZINC000040916799 220924725 /nfs/dbraw/zinc/92/47/25/220924725.db2.gz CEVYRUFPINJHBU-UHFFFAOYSA-N 1 0 360.866 3.220 1 0 FGAFRO CCc1ccc(OC)c(C(=O)NC[C@@H]2CCC[N@H+]2CC)c1Br ZINC000064454252 221146887 /nfs/dbraw/zinc/14/68/87/221146887.db2.gz KMQSPGDYXVNUDZ-ZDUSSCGKSA-N 1 0 369.303 3.234 1 0 FGAFRO CNc1ccc(C(=O)C2CC[NH+]([C@@H]3Cc4ccccc4C[C@@H]3O)CC2)cc1 ZINC000096273556 222107289 /nfs/dbraw/zinc/10/72/89/222107289.db2.gz MDFFDSDCXAZBFF-YADHBBJMSA-N 1 0 364.489 3.151 1 0 FGAFRO [NH3+][C@H]1CCCC[C@@H]1N1C(=O)c2ccccc2[C@]1(O)c1ccc(Cl)cc1 ZINC000006018580 219709829 /nfs/dbraw/zinc/70/98/29/219709829.db2.gz ZERQUADNLKJZLR-CMKODMSKSA-N 1 0 356.853 3.259 1 0 FGAFRO CCOCCn1c2ccccc2nc1[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000049071643 221019821 /nfs/dbraw/zinc/01/98/21/221019821.db2.gz WQOMZYPBVOXQJY-QGZVFWFLSA-N 1 0 357.498 3.431 1 0 FGAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cn[nH]c1 ZINC000059263567 221125531 /nfs/dbraw/zinc/12/55/31/221125531.db2.gz AMWQFNROCOUNTL-YJBOKZPZSA-N 1 0 353.470 3.033 1 0 FGAFRO C[NH+](C)[C@@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000060325488 221129527 /nfs/dbraw/zinc/12/95/27/221129527.db2.gz OUNBLQAENNVCQS-OAHLLOKOSA-N 1 0 372.465 3.436 1 0 FGAFRO Cc1ccccc1SCc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1 ZINC000029216088 132919857 /nfs/dbraw/zinc/91/98/57/132919857.db2.gz YIMNJGMTEZDFCY-UHFFFAOYSA-N 1 0 353.495 3.473 1 0 FGAFRO CCn1c2ccccc2n([C@@H]2CC[N@H+](CC3CCCCC3)C[C@H]2CO)c1=O ZINC000096902434 222136211 /nfs/dbraw/zinc/13/62/11/222136211.db2.gz CMJSRERWDZNRKI-RBUKOAKNSA-N 1 0 371.525 3.259 1 0 FGAFRO CCn1cnc2c1nc(N[C@H]1CC[C@H]([NH3+])CC1)nc2Nc1cccc(F)c1 ZINC000100821301 222253641 /nfs/dbraw/zinc/25/36/41/222253641.db2.gz WKESGRBZSRGRRG-OKILXGFUSA-N 1 0 369.448 3.411 1 0 FGAFRO COc1cc(C)c2nc3n[nH]c(C)c3c(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c2c1 ZINC000101465275 222275044 /nfs/dbraw/zinc/27/50/44/222275044.db2.gz OOOQCFLLXODUKM-FICVDOATSA-N 1 0 366.465 3.224 1 0 FGAFRO O[C@@H]1c2cc(F)ccc2C[C@H]1[NH+]1CCC(c2cccc3c2OCCO3)CC1 ZINC000013471796 220068768 /nfs/dbraw/zinc/06/87/68/220068768.db2.gz HNIFACCWWKONLS-TZIWHRDSSA-N 1 0 369.436 3.435 1 0 FGAFRO [NH3+]CCc1ccc(Oc2ccc(O)c(I)c2)cc1 ZINC000013681017 220084893 /nfs/dbraw/zinc/08/48/93/220084893.db2.gz HCYGDNGLWSZCCA-UHFFFAOYSA-N 1 0 355.175 3.290 1 0 in-vitro FGAFRO O=C(c1ccccc1)N1CC[C@@H](O)[C@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC000013826421 220097251 /nfs/dbraw/zinc/09/72/51/220097251.db2.gz JAZCWPBIWQFGKP-FGZHOGPDSA-N 1 0 364.489 3.142 1 0 FGAFRO O=C(OCCF)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)[NH2+]2 ZINC000028455780 220575518 /nfs/dbraw/zinc/57/55/18/220575518.db2.gz VLIANQRCIMWNHF-GBJTYRQASA-N 1 0 356.235 3.186 1 0 FGAFRO O=S(=O)(NCC1CC[NH2+]CC1)c1ccccc1-c1cccc(Cl)c1 ZINC000049793880 221027631 /nfs/dbraw/zinc/02/76/31/221027631.db2.gz LMUMWOWJRBMYMM-UHFFFAOYSA-N 1 0 364.898 3.285 1 0 FGAFRO C[NH+]1CCN(Cn2nc(C34CC5CC(CC(C5)C3)C4)sc2=S)CC1 ZINC000064446529 221145895 /nfs/dbraw/zinc/14/58/95/221145895.db2.gz YOMVFKPFJPABGC-UHFFFAOYSA-N 1 0 364.584 3.347 1 0 FGAFRO O=C1c2cccc3c2c(nn3Cc2ccccc2)CN1[C@H]1C[NH+]2CCC1CC2 ZINC000066101780 221241818 /nfs/dbraw/zinc/24/18/18/221241818.db2.gz QOGFHRRNPRRNAI-NRFANRHFSA-N 1 0 372.472 3.135 1 0 FGAFRO COCC[NH2+]CCN1CCN(c2ccc(C)cc2)C[C@@H]1c1ccccc1 ZINC000059790656 136132220 /nfs/dbraw/zinc/13/22/20/136132220.db2.gz QTZXRWUKHKSHFF-JOCHJYFZSA-N 1 0 353.510 3.094 1 0 FGAFRO CCCCn1c(=O)c(C(=O)NC2CC[NH+](C)CC2)cc2c1CCCCCC2 ZINC000096929217 222142500 /nfs/dbraw/zinc/14/25/00/222142500.db2.gz NTSQQRGUOXVMIN-UHFFFAOYSA-N 1 0 373.541 3.131 1 0 FGAFRO COc1cc2c(c3c4c(cc5c3CC[NH2+]C5)CCC(=O)n24)c(OC)c1OC ZINC000013558723 220073109 /nfs/dbraw/zinc/07/31/09/220073109.db2.gz LCQFWMFZOXYQKN-UHFFFAOYSA-N 1 0 366.417 3.052 1 0 FGAFRO O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCC[NH2+]3)c2c1)c1ccccc1 ZINC000013607614 220078091 /nfs/dbraw/zinc/07/80/91/220078091.db2.gz SICBOEKIMCIIEA-OAHLLOKOSA-N 1 0 355.463 3.263 1 0 FGAFRO O=C(Cc1cc2c(s1)CCCC2=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000013738794 220091791 /nfs/dbraw/zinc/09/17/91/220091791.db2.gz KDFBPMHBQZWFDU-HNNXBMFYSA-N 1 0 360.523 3.287 1 0 FGAFRO Fc1ccc(-c2ncn(CCC[NH+]3CCOCC3)c2-c2ccccn2)cc1 ZINC000013759009 220093282 /nfs/dbraw/zinc/09/32/82/220093282.db2.gz KFIXZCBKNMPGRI-UHFFFAOYSA-N 1 0 366.440 3.474 1 0 FGAFRO [NH3+][C@H]1CN(CCCc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F ZINC000014958784 220137162 /nfs/dbraw/zinc/13/71/62/220137162.db2.gz HUNOXIPHZLUZRW-BEFAXECRSA-N 1 0 362.395 3.380 1 0 FGAFRO O=C1NCN(c2ccccc2)C12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000028885729 220587804 /nfs/dbraw/zinc/58/78/04/220587804.db2.gz ZZGMDVZBHCTYDZ-UHFFFAOYSA-N 1 0 355.869 3.269 1 0 FGAFRO COc1cc(C[C@@H]2[NH2+]CCCc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000029544814 220607052 /nfs/dbraw/zinc/60/70/52/220607052.db2.gz HIVKUXKVHRDNOA-INIZCTEOSA-N 1 0 371.433 3.261 1 0 FGAFRO Cc1n[nH]c2ccc(-c3nnc(NC[C@H]([NH3+])Cc4ccccc4)s3)cc12 ZINC000049066469 221017589 /nfs/dbraw/zinc/01/75/89/221017589.db2.gz YMBNZUUECWJCDF-OAHLLOKOSA-N 1 0 364.478 3.372 1 0 FGAFRO [NH3+][C@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1cccc(Cl)c1 ZINC000049037370 221018082 /nfs/dbraw/zinc/01/80/82/221018082.db2.gz BGYDDVRMCVTECM-HNNXBMFYSA-N 1 0 362.216 3.473 1 0 FGAFRO O=C1c2ccc(-n3cnc4ccccc43)cc2CCN1CC[NH+]1CCCC1 ZINC000059112272 221124572 /nfs/dbraw/zinc/12/45/72/221124572.db2.gz BTHDBDIXZQYFMB-UHFFFAOYSA-N 1 0 360.461 3.120 1 0 FGAFRO COC(=O)c1ccc(-c2cc(C(=O)Nc3ccncc3)ccc2C[NH3+])cc1 ZINC000096286467 222110781 /nfs/dbraw/zinc/11/07/81/222110781.db2.gz AMPHXCQDDJBACG-UHFFFAOYSA-N 1 0 361.401 3.246 1 0 FGAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@@H](c2cccc3nonc32)C1C(=O)OC ZINC000100031333 222232959 /nfs/dbraw/zinc/23/29/59/222232959.db2.gz MSKAFRMBWXTPHY-KXGFGANYSA-N 1 0 371.393 3.423 3 0 investigational FGAFRO Cc1ccc(/C=C2\C[NH2+]C[C@H]3[C@H]2NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000103231023 222326823 /nfs/dbraw/zinc/32/68/23/222326823.db2.gz YQCQZYAJJOSYON-AMSCELMMSA-N 1 0 363.530 3.494 1 0 FGAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2nc(-c3ccco3)c[nH]2)cc1 ZINC000169317575 222561805 /nfs/dbraw/zinc/56/18/05/222561805.db2.gz PJJONAWJSHFNDB-OAHLLOKOSA-N 1 0 355.438 3.465 1 0 FGAFRO Cc1cc(-c2ccccc2)cc(C)[n+]1CCc1ccc(S(N)(=O)=O)cc1 ZINC000027984678 581091304 /nfs/dbraw/zinc/09/13/04/581091304.db2.gz PXIOYXYTMVKLJJ-UHFFFAOYSA-N 1 0 367.494 3.148 1 0 FGAFRO CC(C)n1c(=O)cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000013731379 220090663 /nfs/dbraw/zinc/09/06/63/220090663.db2.gz RUTLJOSDOHQOFL-XYPWUTKMSA-N 1 0 354.450 3.364 1 0 FGAFRO C[C@@H]1[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@@H](O5)C(=O)C1(C)C ZINC000027843050 220549300 /nfs/dbraw/zinc/54/93/00/220549300.db2.gz WIISOWZJALZFBO-KCOBIMDESA-N 1 0 367.489 3.293 1 0 FGAFRO Cc1cc(NS(C)(=O)=O)cc(C)c1OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000035090988 220772849 /nfs/dbraw/zinc/77/28/49/220772849.db2.gz KZUBCHUSOMKNKH-SJLPKXTDSA-N 1 0 366.527 3.318 1 0 FGAFRO C[NH2+]Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)cc1 ZINC000040950456 220926246 /nfs/dbraw/zinc/92/62/46/220926246.db2.gz SNPSZRHSFIRMEF-UHFFFAOYSA-N 1 0 352.481 3.292 1 0 FGAFRO [NH3+][C@H](Cc1cc(F)ccc1F)C1CC[NH+]([C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000066075814 221239453 /nfs/dbraw/zinc/23/94/53/221239453.db2.gz OUYYJIKUXWSIGZ-POZUXBRTSA-N 1 0 366.452 3.190 1 0 FGAFRO O=C1N=C2C(=Cc3ccccc3F)C[NH2+]CC2[C@@H](c2ccccc2F)N1 ZINC000096270600 222106851 /nfs/dbraw/zinc/10/68/51/222106851.db2.gz PCXZWYXQTPSKMF-XWGMLZDCSA-N 1 0 353.372 3.260 1 0 FGAFRO COc1cc(OC)cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccco2)c1 ZINC000103237513 222328339 /nfs/dbraw/zinc/32/83/39/222328339.db2.gz AZXKWXPHQAJYEW-OSYLJGHBSA-N 1 0 370.449 3.222 1 0 FGAFRO CNc1nc2cc(-c3ccc(N)cc3)sc2c(NCCC[NH+](C)C)n1 ZINC000103263083 222329512 /nfs/dbraw/zinc/32/95/12/222329512.db2.gz ASADYLVXAJDLCT-UHFFFAOYSA-N 1 0 356.499 3.346 1 0 FGAFRO