smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCC[NH+]1CCN(C2=Nc3ccccc3CC=C2c2ccc(F)cc2)CC1 ZINC000053045757 205190780 /nfs/dbraw/zinc/19/07/80/205190780.db2.gz SXPBOUSSIQQBTK-UHFFFAOYSA-N 1 1 365.452 3.105 1 0 FGAFMO O=C1C[C@@H](OCc2ccccc2)C[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000066078297 205362125 /nfs/dbraw/zinc/36/21/25/205362125.db2.gz NIZDXKKKAUREEY-WXOXAHCZSA-N 1 1 354.494 3.067 1 0 FGAFMO O=c1c(-c2ccccc2)cccn1[C@@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000036190489 205006752 /nfs/dbraw/zinc/00/67/52/205006752.db2.gz NZNYFHPTQFALGO-UNMCSNQZSA-N 1 1 360.457 3.171 1 0 FGAFMO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]2C1 ZINC000040466786 205071277 /nfs/dbraw/zinc/07/12/77/205071277.db2.gz DZQHCYXCIBSBAB-CHWSQXEVSA-N 1 1 351.878 3.068 1 0 FGAFMO 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 206253997 /nfs/dbraw/zinc/25/39/97/206253997.db2.gz HWXCULOUOMXWMG-BGHAAAKCSA-N 1 1 367.489 3.293 1 0 FGAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCOCC1 ZINC000059262788 205279681 /nfs/dbraw/zinc/27/96/81/205279681.db2.gz RIVHKFKXQNJYDP-PXNSSMCTSA-N 1 1 371.525 3.423 1 0 FGAFMO O=C(n1nnc2ccccc21)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000095576805 205791184 /nfs/dbraw/zinc/79/11/84/205791184.db2.gz XARNHTJRZXBYBP-UHFFFAOYSA-N 1 1 371.444 3.370 1 0 FGAFMO COc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)cc1 ZINC000004238110 204129029 /nfs/dbraw/zinc/12/90/29/204129029.db2.gz VPSAEROZZCBUET-FQEVSTJZSA-N 1 1 371.506 3.280 1 0 FGAFMO COc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)cc1 ZINC000004238110 204129034 /nfs/dbraw/zinc/12/90/34/204129034.db2.gz VPSAEROZZCBUET-FQEVSTJZSA-N 1 1 371.506 3.280 1 0 FGAFMO CC[C@@]12CCC[N@H+]3CC[C@@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@H]4CC1)[C@H]32 ZINC000007998065 204313817 /nfs/dbraw/zinc/31/38/17/204313817.db2.gz CITPXCNSMZMNIW-UPZYVNNASA-N 1 1 370.493 3.432 1 0 FGAFMO C[N@H+]1CC[C@@]23c4c5c(Nc6ccccc6)ccc4C[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5 ZINC000013813274 204555337 /nfs/dbraw/zinc/55/53/37/204555337.db2.gz BLCLKJDNXQERRY-QHFYENJSSA-N 1 1 360.457 3.236 1 0 FGAFMO CCCCCC[C@@H]([NH+]1CCOCC1)C(O)(c1cccnc1)c1cccnc1 ZINC000035996518 205001011 /nfs/dbraw/zinc/00/10/11/205001011.db2.gz PUFFDHPIZWKLSX-OAQYLSRUSA-N 1 1 369.509 3.384 1 0 in-vivo FGAFMO COc1cccc2c1[C@@H]1CC[N@@H+](CCNC(=O)c3ccc(F)cc3)C[C@@H]1C2 ZINC000036187739 205008065 /nfs/dbraw/zinc/00/80/65/205008065.db2.gz RDKHMRVCUUWLNS-PKOBYXMFSA-N 1 1 368.452 3.226 1 0 FGAFMO O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+][C@@H]1CCC[C@H]1C1CCCC1)ccc2O ZINC000058583031 205277298 /nfs/dbraw/zinc/27/72/98/205277298.db2.gz LMKMYJGZBLESNG-BJJXKVORSA-N 1 1 362.495 3.277 1 0 FGAFMO CC(C)CC[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002499797 204042734 /nfs/dbraw/zinc/04/27/34/204042734.db2.gz QZFDUVVFPRJMFN-UHFFFAOYSA-N 1 1 358.935 3.471 1 0 FGAFMO C[NH+]1CCC(O)(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000008536372 204333726 /nfs/dbraw/zinc/33/37/26/204333726.db2.gz SIQUUVQVHIMYKO-UHFFFAOYSA-N 1 1 352.413 3.191 1 0 FGAFMO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H](C)[N@H+]2CCCC[C@@H]2C1 ZINC000040631409 205074663 /nfs/dbraw/zinc/07/46/63/205074663.db2.gz GOIFKVIKBPQYGJ-FRRDWIJNSA-N 1 1 351.878 3.066 1 0 FGAFMO C[N@H+]1CCc2cc(Cl)c3[nH]c(=O)[nH]c3c2[C@H]2c3ccccc3CC[C@@H]21 ZINC000003948059 204116383 /nfs/dbraw/zinc/11/63/83/204116383.db2.gz XRFMTVYXVXWQSG-RDJZCZTQSA-N 1 1 353.853 3.444 1 0 FGAFMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O ZINC000004950804 204179053 /nfs/dbraw/zinc/17/90/53/204179053.db2.gz UOSULOUXHUVWNY-CYBMUJFWSA-N 1 1 369.490 3.265 1 0 FGAFMO C[N@@H+]1CC[C@@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3ccccc32)C1 ZINC000049055390 205168337 /nfs/dbraw/zinc/16/83/37/205168337.db2.gz NNOHEYLTIADEJF-OAHLLOKOSA-N 1 1 358.438 3.490 1 0 FGAFMO C[N@H+]1CC[C@@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3ccccc32)C1 ZINC000049055390 205168341 /nfs/dbraw/zinc/16/83/41/205168341.db2.gz NNOHEYLTIADEJF-OAHLLOKOSA-N 1 1 358.438 3.490 1 0 FGAFMO CN1CC[C@]2([C@]34CC[N@@H+](C)[C@H]3N(C)c3ccccc34)c3ccccc3N(C)[C@H]12 ZINC000064624409 574415366 /nfs/dbraw/zinc/41/53/66/574415366.db2.gz UEOHDZULNTUKEK-ZJZGAYNASA-N 1 1 374.532 3.085 1 0 endogenous,in-man FGAFMO C[N@H+]1CC[C@H](c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)C1 ZINC000006013354 204233405 /nfs/dbraw/zinc/23/34/05/204233405.db2.gz LIOMFJVXCGRTDD-AWEZNQCLSA-N 1 1 358.438 3.437 1 0 FGAFMO CCC[N@@H+](CCCNC(=O)N(CC)CC)[C@@H]1CCc2c(O)cccc2C1 ZINC000028001076 204873286 /nfs/dbraw/zinc/87/32/86/204873286.db2.gz INWFLAIMSLJNHI-GOSISDBHSA-N 1 1 361.530 3.403 1 0 FGAFMO COc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnc2ccccc21 ZINC000045196338 205117159 /nfs/dbraw/zinc/11/71/59/205117159.db2.gz NDNAGLVRQAPTRG-QGZVFWFLSA-N 1 1 361.445 3.248 1 0 FGAFMO CC(C)Cn1ncc2c1nc([C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)[nH]c2=O ZINC000045298665 205118614 /nfs/dbraw/zinc/11/86/14/205118614.db2.gz VWYPSWDBTYIGDI-CRAIPNDOSA-N 1 1 365.481 3.011 1 0 FGAFMO Cc1c(Br)[nH]c(-c2nccc3[nH+]c(N)[nH]c32)c1Br ZINC000045299755 205119029 /nfs/dbraw/zinc/11/90/29/205119029.db2.gz VBRCDYCWCJBWLE-UHFFFAOYSA-N 1 1 371.036 3.369 1 0 FGAFMO COc1ccc2[nH]c(C[NH+]3Cc4ccccc4C3)c(CCNC(C)=O)c2c1 ZINC000169323498 206250539 /nfs/dbraw/zinc/25/05/39/206250539.db2.gz JWBWYXBGHZFZKH-UHFFFAOYSA-N 1 1 363.461 3.371 1 0 FGAFMO O=S(=O)(c1ccccc1)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000003956019 204117372 /nfs/dbraw/zinc/11/73/72/204117372.db2.gz PEWXOCODKBSOFL-NRFANRHFSA-N 1 1 370.518 3.363 1 0 FGAFMO Cc1cc(NC(=O)C2CCOCC2)ccc1N1CC[C@H]([N@@H+]2CCC[C@@H]2C)C1 ZINC000059262785 205280050 /nfs/dbraw/zinc/28/00/50/205280050.db2.gz WZFYVAXGOJDHFD-PXNSSMCTSA-N 1 1 371.525 3.423 1 0 FGAFMO COc1ccc2c(c1)C(=O)c1c-2c(N2CC[NH+](C)CC2)nc2ccccc12 ZINC000029055674 136153608 /nfs/dbraw/zinc/15/36/08/136153608.db2.gz LGWXWSFOLLGZMR-UHFFFAOYSA-N 1 1 359.429 3.207 1 0 FGAFMO O=S(=O)(c1cn(CC[NH+]2CCCC2)c2ncccc12)c1cccc(F)c1 ZINC000045257679 208329827 /nfs/dbraw/zinc/32/98/27/208329827.db2.gz VTFKTLQZOPMCPJ-UHFFFAOYSA-N 1 1 373.453 3.104 1 0 FGAFMO CCC[N@H+]1CCc2cc3oc(=O)n(C)c3cc2[C@@H]1c1cccc(OC)c1 ZINC000045347399 208330985 /nfs/dbraw/zinc/33/09/85/208330985.db2.gz OZRUDBBLRGELJB-FQEVSTJZSA-N 1 1 352.434 3.498 1 0 FGAFMO CC(C)C[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc43)n2)C[C@H](C)[NH2+]1 ZINC000095581384 132215707 /nfs/dbraw/zinc/21/57/07/132215707.db2.gz CZYUVYJLWVYZNM-KBPBESRZSA-N 1 1 368.460 3.372 1 0 FGAFMO CN(C)c1cccc(Oc2nc3ccccc3nc2N2CC[NH+](C)CC2)c1 ZINC000029052865 136153613 /nfs/dbraw/zinc/15/36/13/136153613.db2.gz CNOHDZJSJOLNDR-UHFFFAOYSA-N 1 1 363.465 3.240 1 0 FGAFMO Cc1cc(NC(=O)c2cn[nH]c2)ccc1N1CC[C@@H]([N@@H+]2CCC[C@H]2C)C1 ZINC000113336907 209335590 /nfs/dbraw/zinc/33/55/90/209335590.db2.gz MXIVMTFMGCHKJZ-CRAIPNDOSA-N 1 1 353.470 3.033 1 0 FGAFMO COc1cc(Br)cc(-c2noc([C@@H]3CCC[N@@H+]3C)n2)c1OC ZINC000103285089 209252583 /nfs/dbraw/zinc/25/25/83/209252583.db2.gz WMISFAGLPAZMPW-NSHDSACASA-N 1 1 368.231 3.283 1 0 FGAFMO COc1cc(Br)cc(-c2noc([C@@H]3CCC[N@H+]3C)n2)c1OC ZINC000103285089 209252588 /nfs/dbraw/zinc/25/25/88/209252588.db2.gz WMISFAGLPAZMPW-NSHDSACASA-N 1 1 368.231 3.283 1 0 FGAFMO O=c1[nH]c(N2CC[C@@H]([N@@H+]3CC=C(c4ccccc4)CC3)C2)nc2ccccc21 ZINC000028954677 581101279 /nfs/dbraw/zinc/10/12/79/581101279.db2.gz GMELGVOWUOVYSE-LJQANCHMSA-N 1 1 372.472 3.291 1 0 FGAFMO Cc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)n1C ZINC000015066470 207542732 /nfs/dbraw/zinc/54/27/32/207542732.db2.gz KDAICFMYNSJPHA-JOCHJYFZSA-N 1 1 352.526 3.259 1 0 FGAFMO CC(=O)Oc1c(C)c2c(c(C)c1C)OC(C)(C)[C@H]2CN1CC[NH+](C)CC1 ZINC000022443088 207808235 /nfs/dbraw/zinc/80/82/35/207808235.db2.gz NIPUKGKIIPTVHI-KRWDZBQOSA-N 1 1 360.498 3.039 1 0 FGAFMO CC(C)C[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc43)n2)C[C@@H](C)[NH2+]1 ZINC000095583460 132215738 /nfs/dbraw/zinc/21/57/38/132215738.db2.gz CZYUVYJLWVYZNM-KGLIPLIRSA-N 1 1 368.460 3.372 1 0 FGAFMO COc1ccc(F)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000103237518 209249656 /nfs/dbraw/zinc/24/96/56/209249656.db2.gz SKJONSWSIFDKAN-MUJYYYPQSA-N 1 1 358.413 3.353 1 0 FGAFMO Oc1ccc2c(c1)c1c(n2CC[NH+]2CCOCC2)-c2cc(O)ccc2CC1 ZINC000031871981 208020666 /nfs/dbraw/zinc/02/06/66/208020666.db2.gz QPGOLBVDVVXGMN-UHFFFAOYSA-N 1 1 364.445 3.150 1 0 FGAFMO CC1(C)c2[nH]c3cc(Cl)ccc3c2C[C@@]23C[N@@H+]4CCC[C@]4(C[C@@H]12)C(=O)N3 ZINC000040860697 208272435 /nfs/dbraw/zinc/27/24/35/208272435.db2.gz DXPVAKSJZFQGSS-DQLDELGASA-N 1 1 369.896 3.378 1 0 FGAFMO NC(=O)c1cccc([S@@](=O)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000101363751 209224984 /nfs/dbraw/zinc/22/49/84/209224984.db2.gz HQXYMUSPACPKSH-QPHCBKPXSA-N 1 1 368.502 3.089 1 0 FGAFMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)C(C)(C)O)C3)C2)cc1 ZINC000011703915 207318944 /nfs/dbraw/zinc/31/89/44/207318944.db2.gz LQMYNLFAKJLMEC-JOCHJYFZSA-N 1 1 358.526 3.395 1 0 FGAFMO Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c(C)c[nH+]3)CC2)c1 ZINC000101296987 209222944 /nfs/dbraw/zinc/22/29/44/209222944.db2.gz AIMNRLCNWYRUPJ-IYARVYRRSA-N 1 1 367.497 3.313 1 0 FGAFMO C[N@H+]1CCCC[C@@H]1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000036289033 208152899 /nfs/dbraw/zinc/15/28/99/208152899.db2.gz LBJMHPIVBXUBLY-CQSZACIVSA-N 1 1 350.422 3.186 1 0 FGAFMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O ZINC000040895148 208274553 /nfs/dbraw/zinc/27/45/53/208274553.db2.gz BIPYJOQSCUNINC-KDXIVRHGSA-N 1 1 366.505 3.226 1 0 FGAFMO 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 208251554 /nfs/dbraw/zinc/25/15/54/208251554.db2.gz XWNUAACCLIULKG-NMOPZWIYSA-N 1 1 357.494 3.186 1 0 FGAFMO CCC[N@@H+](CC)[C@H](C)CN1CCc2c3ccc(OC)cc3oc(=O)c2C1 ZINC000027738283 207938606 /nfs/dbraw/zinc/93/86/06/207938606.db2.gz VNALAIYBURUVJL-OAHLLOKOSA-N 1 1 358.482 3.280 1 0 FGAFMO CCCc1c(Sc2ccc(OC)c(OC)c2)[nH]c2nc(N)[nH+]c(N)c21 ZINC000040918454 208275490 /nfs/dbraw/zinc/27/54/90/208275490.db2.gz CSCHNUJFQPALMJ-UHFFFAOYSA-N 1 1 359.455 3.243 1 0 FGAFMO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[C@H]2CCCC[N@H+]2CC1 ZINC000040466810 208255266 /nfs/dbraw/zinc/25/52/66/208255266.db2.gz BHLFSULBTRYLAE-CHWSQXEVSA-N 1 1 351.878 3.068 1 0 FGAFMO Cn1ccnc1C[NH+]1CCC2(CC1)c1ccccc1N(c1cccnc1)C2=O ZINC000084711532 208961745 /nfs/dbraw/zinc/96/17/45/208961745.db2.gz MUKXKOCBOOPKSB-UHFFFAOYSA-N 1 1 373.460 3.027 1 0 FGAFMO CC(C)Nc1ccc[nH+]c1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000000587534 132377498 /nfs/dbraw/zinc/37/74/98/132377498.db2.gz ASOMNDIOOKDVDC-UHFFFAOYSA-N 1 1 363.465 3.346 1 0 FGAFMO Cc1nc2sc(C(=O)NCC[C@H]3CCC[N@@H+]3C)c(N)c2c(C)c1Cl ZINC000095597591 209083778 /nfs/dbraw/zinc/08/37/78/209083778.db2.gz CXEWGCBPPMLNHF-LLVKDONJSA-N 1 1 366.918 3.363 1 0 FGAFMO CCCC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(Cc3ncc[nH]3)CC2)[C@H]1O ZINC000020205570 211273621 /nfs/dbraw/zinc/27/36/21/211273621.db2.gz KOJQCFUPKQDUFH-RTWAWAEBSA-N 1 1 368.525 3.091 1 0 FGAFMO COc1ccc(C[N@@H+]2CCc3c4ccc(OC)cc4oc(=O)c3C2)cc1 ZINC000013764647 211057745 /nfs/dbraw/zinc/05/77/45/211057745.db2.gz STNPHZVHYQRIIW-UHFFFAOYSA-N 1 1 351.402 3.369 1 0 FGAFMO COc1ccc(C[N@H+]2CCc3c4ccc(OC)cc4oc(=O)c3C2)cc1 ZINC000013764647 211057750 /nfs/dbraw/zinc/05/77/50/211057750.db2.gz STNPHZVHYQRIIW-UHFFFAOYSA-N 1 1 351.402 3.369 1 0 FGAFMO Cc1noc(C[S@@](=O)C[C@H]2C[N@@H+](C)CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000013584894 211041430 /nfs/dbraw/zinc/04/14/30/211041430.db2.gz DYTIBVLSVQCIHS-ROYPQONJSA-N 1 1 367.902 3.016 1 0 FGAFMO Cc1cc(C(=O)Nc2ccc(N3CC[C@@H]([N@@H+]4CCC[C@@H]4C)C3)cc2)n[nH]1 ZINC000059263587 212014814 /nfs/dbraw/zinc/01/48/14/212014814.db2.gz RCUFJSPQSAHGNP-MAUKXSAKSA-N 1 1 353.470 3.033 1 0 FGAFMO C[C@H]1C[C@@H](OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000022926539 211371417 /nfs/dbraw/zinc/37/14/17/211371417.db2.gz SFIMEMADLNGLGG-ILWGZMRPSA-N 1 1 374.569 3.397 1 0 FGAFMO CS(=O)(=O)c1ccc(-c2cc3c(cc2C[NH+]2CCCCC2)OCO3)cc1 ZINC000013530472 211037933 /nfs/dbraw/zinc/03/79/33/211037933.db2.gz FBKDXBSEJZIQQG-UHFFFAOYSA-N 1 1 373.474 3.472 1 0 FGAFMO O=C1C[C@H](OCc2ccccc2)C[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000066078296 221240644 /nfs/dbraw/zinc/24/06/44/221240644.db2.gz NIZDXKKKAUREEY-RHFRXIPYSA-N 1 1 354.494 3.067 1 0 FGAFMO Cc1cc(C(=O)Nc2ccc(N3CC[C@H]([N@@H+]4CCC[C@@H]4C)C3)cc2C)n[nH]1 ZINC000059263575 212014869 /nfs/dbraw/zinc/01/48/69/212014869.db2.gz MAVCXANXGDWPJD-WMZOPIPTSA-N 1 1 367.497 3.342 1 0 FGAFMO O=S(=O)(Cc1ccc(Cl)cc1)c1ccc2c(c1)C[NH2+][C@H](CF)C2 ZINC000014951656 211105467 /nfs/dbraw/zinc/10/54/67/211105467.db2.gz PDEBFUNTIYAZQV-INIZCTEOSA-N 1 1 353.846 3.298 1 0 FGAFMO COc1ccc(NC(=O)[C@@]2(C)CC[N@H+]2C2Cc3ccccc3C2)cc1OC ZINC000061897411 212026244 /nfs/dbraw/zinc/02/62/44/212026244.db2.gz OYTIKKUQADTIQB-JOCHJYFZSA-N 1 1 366.461 3.274 3 0 FGAFMO Cc1[nH+]c2cccc(Cl)c2c(N)c1CN[C@]1(C(F)(F)F)CCC(=O)O1 ZINC000013864116 211063570 /nfs/dbraw/zinc/06/35/70/211063570.db2.gz DPOLCLTVYZSWIA-OAHLLOKOSA-N 1 1 373.762 3.464 1 0 FGAFMO CC[N@@H+](CCOCCNC(=O)NCc1ccccc1)CC1CCCCC1 ZINC000013742432 211057091 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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 220547965 /nfs/dbraw/zinc/54/79/65/220547965.db2.gz RURJICWFYHBEJA-JTVUANMOSA-N 1 1 355.478 3.015 1 0 FGAFMO COc1ccc(OC)c(NC(=O)[C@]2(C)CC[N@@H+]2CCc2ccccc2)c1 ZINC000061929272 221138232 /nfs/dbraw/zinc/13/82/32/221138232.db2.gz RCHRYLCNPWOLFU-NRFANRHFSA-N 1 1 354.450 3.349 3 0 FGAFMO COc1ccc(OC)c(NC(=O)[C@]2(C)CC[N@H+]2CCc2ccccc2)c1 ZINC000061929272 221138235 /nfs/dbraw/zinc/13/82/35/221138235.db2.gz RCHRYLCNPWOLFU-NRFANRHFSA-N 1 1 354.450 3.349 3 0 FGAFMO Nc1ncnc2ccc(-c3cc(F)cc(NC(=O)C[NH+]4CCCC4)c3)cc12 ZINC000098208241 222230402 /nfs/dbraw/zinc/23/04/02/222230402.db2.gz GDCGMGVDMXRLGC-UHFFFAOYSA-N 1 1 365.412 3.052 1 0 in-vitro FGAFMO CC[C@@]12CCC[N@H+]3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000013813057 220096256 /nfs/dbraw/zinc/09/62/56/220096256.db2.gz CITPXCNSMZMNIW-XYEHWOGUSA-N 1 1 370.493 3.432 1 0 FGAFMO C[NH+]1CCN(NC(=O)c2c3ccccc3sc2-c2ccccc2)CC1 ZINC000061948007 221137535 /nfs/dbraw/zinc/13/75/35/221137535.db2.gz LIHXKLBZOXACQS-UHFFFAOYSA-N 1 1 351.475 3.461 3 0 FGAFMO O=c1cc(C(F)(F)F)n(CCCC[NH+]2CCOCC2)c2ccc(F)cc12 ZINC000096910141 222137555 /nfs/dbraw/zinc/13/75/55/222137555.db2.gz RIXVTTHUSHRYFC-UHFFFAOYSA-N 1 1 372.362 3.272 1 0 FGAFMO CCOCCn1c2ccccc2nc1[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000049110397 221019652 /nfs/dbraw/zinc/01/96/52/221019652.db2.gz WQOMZYPBVOXQJY-KRWDZBQOSA-N 1 1 357.498 3.431 1 0 FGAFMO C[N@H+]1CCC=C([C@H]2CN(C(=O)c3cc(Cl)ccc3Cl)CCO2)C1 ZINC000049072580 221019805 /nfs/dbraw/zinc/01/98/05/221019805.db2.gz DWINDGSUAHBRPZ-MRXNPFEDSA-N 1 1 355.265 3.096 1 0 FGAFMO NC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000101363790 222272253 /nfs/dbraw/zinc/27/22/53/222272253.db2.gz ZLTQSXAPKBXBCJ-PIIMJCKOSA-N 1 1 354.425 3.499 1 0 FGAFMO CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3c(cn4C(C)=O)C[C@H]2[N@H+](C)C1 ZINC000095810617 494989056 /nfs/dbraw/zinc/98/90/56/494989056.db2.gz FJOWXGYLIWJFCH-OXQOHEQNSA-N 1 1 365.477 3.040 2 0 FGAFMO CC[C@]12CCC[N@H+]3CC[C@@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000003947538 560191581 /nfs/dbraw/zinc/19/15/81/560191581.db2.gz CITPXCNSMZMNIW-MNAPGUCWSA-N 1 1 370.493 3.432 1 0 biogenic,in-vitro FGAFMO CN1CC[C@@]2([C@@]34CC[N@@H+](C)[C@@H]3N(C)c3ccccc34)c3ccccc3N[C@H]12 ZINC000013385666 220065908 /nfs/dbraw/zinc/06/59/08/220065908.db2.gz GSQUXSFTXJRLQJ-SSGKUCQKSA-N 1 1 360.505 3.061 1 0 endogenous,in-man FGAFMO O=c1[nH]c2c(c3nc(-c4ccccc4)nn31)C[N@H+](Cc1ccccc1)CC2 ZINC000013824548 220096831 /nfs/dbraw/zinc/09/68/31/220096831.db2.gz AFNSXXWAFQVNRR-UHFFFAOYSA-N 1 1 357.417 3.055 1 0 FGAFMO O=c1[nH]c2c(c3nc(-c4ccccc4)nn31)C[N@@H+](Cc1ccccc1)CC2 ZINC000013824548 220096835 /nfs/dbraw/zinc/09/68/35/220096835.db2.gz AFNSXXWAFQVNRR-UHFFFAOYSA-N 1 1 357.417 3.055 1 0 FGAFMO Cc1nc2cc(C)nc(C)n2c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000043012562 132950156 /nfs/dbraw/zinc/95/01/56/132950156.db2.gz RTYGYVMXTLAVMS-UHFFFAOYSA-N 1 1 353.445 3.116 1 0 FGAFMO COCC[N@@H+](C)[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1 ZINC000096171512 222068260 /nfs/dbraw/zinc/06/82/60/222068260.db2.gz XRELUBWLPZIXSQ-OAQYLSRUSA-N 1 1 363.461 3.032 1 0 FGAFMO CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH2+]C[C@H](O)c1ccc(O)c3[nH]c(=O)sc31)C2 ZINC000058581692 221121380 /nfs/dbraw/zinc/12/13/80/221121380.db2.gz QAECXSGXRBCERJ-FSTCNJTKSA-N 1 1 362.495 3.133 1 0 FGAFMO O=c1ccc2cc(OCCC[NH2+]C[C@@H]3CCCN4CCCC[C@H]34)ccc2o1 ZINC000071295820 221341792 /nfs/dbraw/zinc/34/17/92/221341792.db2.gz QGYFXRKMAMPCLQ-AZUAARDMSA-N 1 1 370.493 3.416 1 0 FGAFMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000004991402 219635008 /nfs/dbraw/zinc/63/50/08/219635008.db2.gz AHZSDSQIBCQUBH-GOSISDBHSA-N 1 1 357.498 3.198 3 0 FGAFMO CCCCN(CC)c1nc(C)nc2c1nnn2-c1c(C)cc(C)[nH+]c1C ZINC000013794980 220094280 /nfs/dbraw/zinc/09/42/80/220094280.db2.gz RXHRJWRPKHOYIX-UHFFFAOYSA-N 1 1 353.474 3.466 1 0 FGAFMO NC(=O)c1cc(F)cc2nc(-c3ccc([C@@H]4CCCC[NH2+]4)cc3F)[nH]c21 ZINC000049067846 221018242 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FGAFMO COc1ccccc1N1CC[NH+](CC[C@@H]2CCc3occc3C2=O)CC1 ZINC000013471706 132867384 /nfs/dbraw/zinc/86/73/84/132867384.db2.gz ISMVUGWKBNSWMT-INIZCTEOSA-N 1 1 354.450 3.246 1 0 FGAFMO CN1CC[C@]2([C@@]34CC[N@@H+](C)[C@@H]3N(C)c3ccccc34)c3ccccc3N[C@H]12 ZINC000014923148 571727535 /nfs/dbraw/zinc/72/75/35/571727535.db2.gz GSQUXSFTXJRLQJ-BXXSPATCSA-N 1 1 360.505 3.061 1 0 endogenous,in-man FGAFMO C[N@H+]1CCC[C@@H](CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000036289027 205008213 /nfs/dbraw/zinc/00/82/13/205008213.db2.gz PZWKLTYXDORWCQ-OAHLLOKOSA-N 1 1 364.449 3.434 1 0 FGAFMO Oc1ccc(-c2cc[nH]n2)cc1-c1nc2ccccc2c(N[C@H]2CC[NH2+]C2)n1 ZINC000058639130 205277967 /nfs/dbraw/zinc/27/79/67/205277967.db2.gz DZNFGQDAMCNMLC-AWEZNQCLSA-N 1 1 372.432 3.166 1 0 in-vitro FGAFMO 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 291070145 /nfs/dbraw/zinc/07/01/45/291070145.db2.gz OFDLBJAQGFWTKC-YJVHIDGBSA-N 1 1 359.466 3.180 1 0 biogenic,in-vitro FGAFMO 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COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2C[N@H+]3Cc2ccccc2)cc1 ZINC000040422196 205070199 /nfs/dbraw/zinc/07/01/99/205070199.db2.gz TZVJOPQQTYXFME-CTNGQTDRSA-N 1 1 350.462 3.113 1 0 FGAFMO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[C@H]2CCCC[N@H+]2CC1 ZINC000040466811 205071165 /nfs/dbraw/zinc/07/11/65/205071165.db2.gz BHLFSULBTRYLAE-QWHCGFSZSA-N 1 1 351.878 3.068 1 0 FGAFMO C[NH+]1CCN(C(=O)c2ccc3c(c2)Oc2ccc(Cl)cc2[C@@]3(C)O)CC1 ZINC000045394318 205121904 /nfs/dbraw/zinc/12/19/04/205121904.db2.gz DLBPBBLWWVRHBP-FQEVSTJZSA-N 1 1 372.852 3.089 1 0 FGAFMO CCC[N@@H+](CC)[C@@H](C)CN1CCc2c3ccc(OC)cc3oc(=O)c2C1 ZINC000027738277 204869046 /nfs/dbraw/zinc/86/90/46/204869046.db2.gz VNALAIYBURUVJL-HNNXBMFYSA-N 1 1 358.482 3.280 1 0 FGAFMO O=c1c2c([n-]n1-c1ccc(Cl)cc1)[C@@H]1C[N@H+](CC3CC3)CC[C@@H]1[NH+]=C2 ZINC000036088253 205003300 /nfs/dbraw/zinc/00/33/00/205003300.db2.gz QCNXINIQJHEAHO-SJORKVTESA-N 1 1 356.857 3.232 1 0 FGAFMO COc1ccc(C[C@@H]2c3c(ccc(OC)c3OC)CC[N@@H+]2C)cc1OC ZINC000040568213 205072824 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FGAFMO [NH3+][C@H](c1cccc(Cl)c1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1 ZINC000095586238 209081394 /nfs/dbraw/zinc/08/13/94/209081394.db2.gz NMVQKQZIFRBWNR-MRXNPFEDSA-N 1 1 351.797 3.015 1 0 FGAFMO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccco1)C2)Nc1ccccc1 ZINC000004908076 207060919 /nfs/dbraw/zinc/06/09/19/207060919.db2.gz QWFJOMWBOPAHQQ-AYHJJNSGSA-N 1 1 367.449 3.034 1 0 FGAFMO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccco1)C2)Nc1ccccc1 ZINC000004908076 207060924 /nfs/dbraw/zinc/06/09/24/207060924.db2.gz QWFJOMWBOPAHQQ-AYHJJNSGSA-N 1 1 367.449 3.034 1 0 FGAFMO Cc1cc(NS(C)(=O)=O)cc(C)c1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000035090966 208119551 /nfs/dbraw/zinc/11/95/51/208119551.db2.gz KZUBCHUSOMKNKH-FUHWJXTLSA-N 1 1 366.527 3.318 1 0 FGAFMO CC1(C)c2[nH]c3ccc(Cl)cc3c2C[C@@]23C[N@@H+]4CCC[C@]4(C[C@@H]12)C(=O)N3 ZINC000040379558 208249006 /nfs/dbraw/zinc/24/90/06/208249006.db2.gz OLTNNHBFPVARTE-DQLDELGASA-N 1 1 369.896 3.378 1 0 FGAFMO COc1ccc(Oc2nc3ccccc3nc2N2CC[NH+](C)CC2)cc1 ZINC000029052880 136153584 /nfs/dbraw/zinc/15/35/84/136153584.db2.gz KTVRQRNAKFZKNW-UHFFFAOYSA-N 1 1 350.422 3.183 1 0 FGAFMO [NH3+][C@H](c1ccc(Cl)cc1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1 ZINC000095592454 209083331 /nfs/dbraw/zinc/08/33/31/209083331.db2.gz KHLBPEISKHAEMP-MRXNPFEDSA-N 1 1 351.797 3.015 1 0 FGAFMO c1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC000045391636 208332760 /nfs/dbraw/zinc/33/27/60/208332760.db2.gz KWISDALZLQQZFR-BGYRXZFFSA-N 1 1 357.461 3.107 1 0 FGAFMO O=C1C[C@H](c2ccccc2)CN1c1ccc2c(c1)nccc2N1CC[NH2+]CC1 ZINC000169347301 132261777 /nfs/dbraw/zinc/26/17/77/132261777.db2.gz DLCABXCLMCCNAX-SFHVURJKSA-N 1 1 372.472 3.165 1 0 FGAFMO C[C@H]1C[C@H](OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000022926547 494542375 /nfs/dbraw/zinc/54/23/75/494542375.db2.gz SFIMEMADLNGLGG-BVSLBCMMSA-N 1 1 374.569 3.397 1 0 FGAFMO CNS(=O)(=O)c1ccc(Oc2ccc(SC)cc2)c(C[NH+](C)C)c1 ZINC000045495419 208334262 /nfs/dbraw/zinc/33/42/62/208334262.db2.gz DLMOCBVVFUSPIJ-UHFFFAOYSA-N 1 1 366.508 3.171 1 0 FGAFMO COc1ccc(Sc2[nH]c3nc(N)[nH+]c(N)c3c2C(C)C)cc1OC ZINC000040917765 208274193 /nfs/dbraw/zinc/27/41/93/208274193.db2.gz NTWVZPXDZCQJLO-UHFFFAOYSA-N 1 1 359.455 3.414 1 0 FGAFMO COc1ccc2c(c1)Sc1ccccc1[C@@H](N1CC[NH+](CCO)CC1)C2 ZINC000045192963 208326741 /nfs/dbraw/zinc/32/67/41/208326741.db2.gz UIWBFHPUMNVMAI-IBGZPJMESA-N 1 1 370.518 3.054 1 0 FGAFMO COC(=O)C1=CO[C@@H](C)[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]12 ZINC000100386978 209212896 /nfs/dbraw/zinc/21/28/96/209212896.db2.gz GRTOGORTSDXSFK-GJZVTGKDSA-N 1 1 352.434 3.179 1 0 FGAFMO COC(=O)C1=CO[C@@H](C)[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]12 ZINC000100386978 209212899 /nfs/dbraw/zinc/21/28/99/209212899.db2.gz GRTOGORTSDXSFK-GJZVTGKDSA-N 1 1 352.434 3.179 1 0 FGAFMO Cc1cc(NC(=O)[C@@H]2CCCO2)ccc1N1CC[C@@H]([N@@H+]2CCC[C@@H]2C)C1 ZINC000096286316 209149884 /nfs/dbraw/zinc/14/98/84/209149884.db2.gz GPSCHCFBKYKZKJ-HQRMLTQVSA-N 1 1 357.498 3.176 1 0 FGAFMO CCCC[C@@H](O)C1=C[C@@H]2Oc3c4c(ccc3OC)C[C@@H]3[C@@H](C1)[C@@]42CC[N@H+]3C ZINC000027712042 207937937 /nfs/dbraw/zinc/93/79/37/207937937.db2.gz IJNLAPNMNMHBJS-FEINNRIKSA-N 1 1 369.505 3.452 1 0 FGAFMO C[C@@H]1CCC[N@H+]1CCc1ccc2nc(-c3ccn4ncnc4n3)ccc2c1 ZINC000035858532 208137101 /nfs/dbraw/zinc/13/71/01/208137101.db2.gz AGDVFPLNDDIXBY-OAHLLOKOSA-N 1 1 358.449 3.366 1 0 FGAFMO C[N@H+]1CCC=C([C@H]2SCC(=O)N2c2ccc(Br)cc2)C1 ZINC000045283797 208330012 /nfs/dbraw/zinc/33/00/12/208330012.db2.gz BGLVAUILMJOEOE-OAHLLOKOSA-N 1 1 353.285 3.117 1 0 FGAFMO COc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnc2ccccc21 ZINC000045196341 208327604 /nfs/dbraw/zinc/32/76/04/208327604.db2.gz NDNAGLVRQAPTRG-KRWDZBQOSA-N 1 1 361.445 3.248 1 0 FGAFMO O=C1C[C@@H](c2ccccc2)CN1c1ccc2c(c1)nccc2N1CC[NH2+]CC1 ZINC000169347299 132261738 /nfs/dbraw/zinc/26/17/38/132261738.db2.gz DLCABXCLMCCNAX-GOSISDBHSA-N 1 1 372.472 3.165 1 0 FGAFMO Cc1cccc(C)c1NC(=O)[C@@H](c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000095603436 209085245 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CCCCS(=O)(=O)N1CCC[C@H]2C[N@H+]3CCc4ccccc4[C@@H]3C[C@@H]21 ZINC000013820213 211062320 /nfs/dbraw/zinc/06/23/20/211062320.db2.gz NEHJXQPQNFMIKM-IHPCNDPISA-N 1 1 362.539 3.200 1 0 FGAFMO Cc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000001658766 210364551 /nfs/dbraw/zinc/36/45/51/210364551.db2.gz HYVILQSBFXXAJG-IBURTVSXSA-N 1 1 372.468 3.395 1 0 FGAFMO COC(=O)[C@@]12CC[C@]3(C=CC[N@H+]4CC[C@@]5(c6cccc(OC)c6N=C15)[C@@H]43)C2 ZINC000095912649 291069272 /nfs/dbraw/zinc/06/92/72/291069272.db2.gz IUFMIZJRZKMHTI-PDGJWGCVSA-N 1 1 364.445 3.007 1 0 biogenic,in-vitro FGAFMO COc1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](OC(=O)C[NH3+])[C@@]3(C)CC[C@H]21 ZINC000096891117 222136123 /nfs/dbraw/zinc/13/61/23/222136123.db2.gz MBNVAANMLJITJU-AYHJQLAQSA-N 1 1 359.466 3.127 1 0 FGAFMO COc1ccc([C@H]2[NH2+]Cc3ccc4c(c3-n3cccc32)OCO4)cc1OC ZINC000059817920 212018402 /nfs/dbraw/zinc/01/84/02/212018402.db2.gz ANPQJCDRPVTKFD-LJQANCHMSA-N 1 1 364.401 3.416 3 0 FGAFMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071329057 221344065 /nfs/dbraw/zinc/34/40/65/221344065.db2.gz QQXYLDQBGTVJBJ-XAPVIXHLSA-N 1 1 356.510 3.150 1 0 FGAFMO COC(=O)C1=CO[C@@H](C)[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]12 ZINC000000967907 210178898 /nfs/dbraw/zinc/17/88/98/210178898.db2.gz GRTOGORTSDXSFK-GCUGWZBJSA-N 1 1 352.434 3.179 1 0 FGAFMO COC(=O)C1=CO[C@@H](C)[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]12 ZINC000000967907 210178904 /nfs/dbraw/zinc/17/89/04/210178904.db2.gz GRTOGORTSDXSFK-GCUGWZBJSA-N 1 1 352.434 3.179 1 0 FGAFMO COc1cccc(-c2cn(-c3ccc(CCO)cc3)c3nc[nH+]c(N)c23)c1 ZINC000013538655 211038888 /nfs/dbraw/zinc/03/88/88/211038888.db2.gz PRDZKYMHQSMGSE-UHFFFAOYSA-N 1 1 360.417 3.213 1 0 FGAFMO Cn1cccc1C(=O)N1CCC2(CCC[N@@H+](Cc3nccs3)C2)CC1 ZINC000003956405 210502919 /nfs/dbraw/zinc/50/29/19/210502919.db2.gz GSGSSQVAZQNKKR-UHFFFAOYSA-N 1 1 358.511 3.000 1 0 FGAFMO COc1cc(Br)cc(-c2noc([C@H]3CCC[N@@H+]3C)n2)c1OC ZINC000103285086 222332221 /nfs/dbraw/zinc/33/22/21/222332221.db2.gz WMISFAGLPAZMPW-LLVKDONJSA-N 1 1 368.231 3.283 1 0 FGAFMO COc1cc(Br)cc(-c2noc([C@H]3CCC[N@H+]3C)n2)c1OC ZINC000103285086 222332225 /nfs/dbraw/zinc/33/22/25/222332225.db2.gz WMISFAGLPAZMPW-LLVKDONJSA-N 1 1 368.231 3.283 1 0 FGAFMO C[NH+]1CCN([C@@H]2Cn3c(CO)ccc3Sc3ccc(Cl)cc32)CC1 ZINC000022930403 211372462 /nfs/dbraw/zinc/37/24/62/211372462.db2.gz QBPQVMUTULJKKG-MRXNPFEDSA-N 1 1 363.914 3.087 1 0 FGAFMO OCC[NH+]1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000022937746 211371192 /nfs/dbraw/zinc/37/11/92/211371192.db2.gz KHGDILJGZLKKBP-FPOVZHCZSA-N 1 1 358.432 3.151 1 0 FGAFMO OCCN1CC[NH+]([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000022937746 211371196 /nfs/dbraw/zinc/37/11/96/211371196.db2.gz KHGDILJGZLKKBP-FPOVZHCZSA-N 1 1 358.432 3.151 1 0 FGAFMO C[NH+]1CCC(c2n[nH]c3ccc(S(=O)(=O)c4cccc(F)c4)cc32)CC1 ZINC000071296009 221341175 /nfs/dbraw/zinc/34/11/75/221341175.db2.gz YCKHQZAJTTWVSE-UHFFFAOYSA-N 1 1 373.453 3.344 1 0 FGAFMO C[NH+]1CCC(c2n[nH]c3ccc(S(=O)(=O)c4ccc(F)cc4)cc32)CC1 ZINC000071295457 221341427 /nfs/dbraw/zinc/34/14/27/221341427.db2.gz HUACZVLZBGEGGA-UHFFFAOYSA-N 1 1 373.453 3.344 1 0 FGAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1cccc3ccccc31)[N@H+]2C ZINC000013778900 211057762 /nfs/dbraw/zinc/05/77/62/211057762.db2.gz WBVZUODNCPVLSS-KLIQENQMSA-N 1 1 353.418 3.021 1 0 FGAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CC[N@@H+]2C)cc1 ZINC000013724732 211053561 /nfs/dbraw/zinc/05/35/61/211053561.db2.gz XMUMUSIKSFUJSM-GOSISDBHSA-N 1 1 357.450 3.493 1 0 FGAFMO C[NH+](C)[C@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 ZINC000084557156 221722124 /nfs/dbraw/zinc/72/21/24/221722124.db2.gz SWUSXUHTTZKEQG-KRWDZBQOSA-N 1 1 355.825 3.423 1 0 FGAFMO CC(C)c1csc(CN2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)n1 ZINC000020541177 211285117 /nfs/dbraw/zinc/28/51/17/211285117.db2.gz GXYGMYVYRCYUNI-IBGZPJMESA-N 1 1 373.566 3.378 3 0 FGAFMO O=C(Cn1cccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020377274 211277815 /nfs/dbraw/zinc/27/78/15/211277815.db2.gz HBGBJTREEXVJTN-UHFFFAOYSA-N 1 1 359.473 3.422 3 0 FGAFMO COc1ccc2c3c(c(=O)oc2c1OC)C[N@@H+](Cc1ccccc1)CC3 ZINC000013764620 211058962 /nfs/dbraw/zinc/05/89/62/211058962.db2.gz ITUXESRMFODXIB-UHFFFAOYSA-N 1 1 351.402 3.369 1 0 FGAFMO CCCOc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2n1 ZINC000013731441 211053935 /nfs/dbraw/zinc/05/39/35/211053935.db2.gz NWVOTDQIZMJKRJ-MQVJKMGUSA-N 1 1 353.466 3.379 1 0 FGAFMO O=c1cc(N2CC[NH+](CCOc3ccc(F)cc3)CC2)c2ccccc2o1 ZINC000103271665 132237448 /nfs/dbraw/zinc/23/74/48/132237448.db2.gz LZGDHSFZDIDWMM-UHFFFAOYSA-N 1 1 368.408 3.133 1 0 FGAFMO COCC[N@@H+](C)[C@@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1 ZINC000096171511 222068032 /nfs/dbraw/zinc/06/80/32/222068032.db2.gz XRELUBWLPZIXSQ-NRFANRHFSA-N 1 1 363.461 3.032 1 0 FGAFMO NC(=O)c1cc(F)cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000101363773 222272258 /nfs/dbraw/zinc/27/22/58/222272258.db2.gz JPHCSQTXZXZBMR-RUYXUALKSA-N 1 1 354.425 3.499 1 0 FGAFMO CC[NH+]1CCN(C(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)CC1 ZINC000057994720 221096236 /nfs/dbraw/zinc/09/62/36/221096236.db2.gz KAXDKSPDBUZTHS-UHFFFAOYSA-N 1 1 370.472 3.193 1 0 FGAFMO COc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccco2)c1OC ZINC000103236628 222328211 /nfs/dbraw/zinc/32/82/11/222328211.db2.gz HKJYGPPOMQQLIZ-MUJYYYPQSA-N 1 1 370.449 3.222 1 0 FGAFMO CSc1c(Cl)nc(N2CC[NH+](C)CC2)nc1NCc1ccccc1 ZINC000029203198 581096211 /nfs/dbraw/zinc/09/62/11/581096211.db2.gz FKEHZWVMMSYOQK-UHFFFAOYSA-N 1 1 363.918 3.216 1 0 FGAFMO CCC1=C[N@H+]2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)OC)c5=O)[C@H]1C[C@H]24 ZINC000049049905 221018137 /nfs/dbraw/zinc/01/81/37/221018137.db2.gz OJPKTXCBMCNJHG-FKHUDQKESA-N 1 1 374.440 3.093 1 0 FGAFMO COc1cccc(Cc2nn(C[C@H]3CCC[N@H+]3C)c(=O)c3ccccc23)c1 ZINC000071316907 221341560 /nfs/dbraw/zinc/34/15/60/221341560.db2.gz JWDZDXFXHWMSGR-QGZVFWFLSA-N 1 1 363.461 3.090 1 0 FGAFMO Cc1noc(C[S@](=O)C[C@H]2C[N@@H+](C)CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000013584892 220076770 /nfs/dbraw/zinc/07/67/70/220076770.db2.gz DYTIBVLSVQCIHS-WDNXAPGXSA-N 1 1 367.902 3.016 1 0 FGAFMO CC[C@]12CCC[N@H+]3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000013813060 220095988 /nfs/dbraw/zinc/09/59/88/220095988.db2.gz CITPXCNSMZMNIW-KDXIVRHGSA-N 1 1 370.493 3.432 1 0 FGAFMO CCCCN1C[C@]2(CC[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C2)OC1=O ZINC000029220813 220597469 /nfs/dbraw/zinc/59/74/69/220597469.db2.gz HYNZBMVSTMHXCR-LAUBAEHRSA-N 1 1 374.481 3.388 1 0 FGAFMO C[NH+]1CCC(c2n[nH]c3ccc(S(=O)(=O)c4ccccc4)cc32)CC1 ZINC000071281399 221338042 /nfs/dbraw/zinc/33/80/42/221338042.db2.gz NKVPQARCVBQWEZ-UHFFFAOYSA-N 1 1 355.463 3.205 1 0 FGAFMO CCn1c2ccccc2n([C@@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]2CO)c1=O ZINC000096888381 222136181 /nfs/dbraw/zinc/13/61/81/222136181.db2.gz SEQKVROZYRULCC-DLBZAZTESA-N 1 1 359.514 3.114 1 0 FGAFMO CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O ZINC000013738798 220092381 /nfs/dbraw/zinc/09/23/81/220092381.db2.gz YAQZLVBSGFGLAC-IBGZPJMESA-N 1 1 356.510 3.469 1 0 FGAFMO CC[N@H+]1CCC[C@H]1CN[C@@H]1c2cccnc2COc2ccc(OC)cc21 ZINC000022441276 220386754 /nfs/dbraw/zinc/38/67/54/220386754.db2.gz VXQFZPGZTLWMKG-YCRPNKLZSA-N 1 1 353.466 3.146 1 0 FGAFMO COc1ccc([C@@H]2[NH2+]Cc3ccc4c(c3-n3cccc32)OCO4)cc1OC ZINC000059817921 221127849 /nfs/dbraw/zinc/12/78/49/221127849.db2.gz ANPQJCDRPVTKFD-IBGZPJMESA-N 1 1 364.401 3.416 3 0 FGAFMO CCc1ccc(OC)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1Br ZINC000064454252 221146891 /nfs/dbraw/zinc/14/68/91/221146891.db2.gz KMQSPGDYXVNUDZ-ZDUSSCGKSA-N 1 1 369.303 3.234 1 0 FGAFMO COc1ccc(C[NH+]2CCN(c3cc(=O)oc4ccccc43)CC2)cc1 ZINC000103271655 132237343 /nfs/dbraw/zinc/23/73/43/132237343.db2.gz YOYMXDRASNJRLQ-UHFFFAOYSA-N 1 1 350.418 3.124 1 0 FGAFMO CSc1c(Cl)nc(N2CC[NH+](C)CC2)nc1NC1CCCCC1 ZINC000028771736 132919160 /nfs/dbraw/zinc/91/91/60/132919160.db2.gz XLUOBEUWBRYZAQ-UHFFFAOYSA-N 1 1 355.939 3.348 1 0 FGAFMO CCNc1ccc[nH+]c1N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000000587537 520343643 /nfs/dbraw/zinc/34/36/43/520343643.db2.gz LCTZLFGIAGHKPV-UHFFFAOYSA-N 1 1 367.428 3.096 1 0 FGAFMO CCOCCn1c2ccccc2nc1[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000049071643 221019824 /nfs/dbraw/zinc/01/98/24/221019824.db2.gz WQOMZYPBVOXQJY-QGZVFWFLSA-N 1 1 357.498 3.431 1 0 FGAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cn[nH]c1 ZINC000059263567 221125534 /nfs/dbraw/zinc/12/55/34/221125534.db2.gz AMWQFNROCOUNTL-YJBOKZPZSA-N 1 1 353.470 3.033 1 0 FGAFMO COc1ccc(NC(=O)[C@@]2(C)CC[N@@H+]2CCc2ccccc2)cc1OC ZINC000061906653 221136673 /nfs/dbraw/zinc/13/66/73/221136673.db2.gz APOKLDRVAPAEFU-OAQYLSRUSA-N 1 1 354.450 3.349 3 0 FGAFMO COc1ccc(NC(=O)[C@@]2(C)CC[N@H+]2CCc2ccccc2)cc1OC ZINC000061906653 221136677 /nfs/dbraw/zinc/13/66/77/221136677.db2.gz APOKLDRVAPAEFU-OAQYLSRUSA-N 1 1 354.450 3.349 3 0 FGAFMO COc1ccc(NC(=O)C2CCN(c3[nH+]cnc4[nH]cc(C)c43)CC2)cc1 ZINC000045300303 132951455 /nfs/dbraw/zinc/95/14/55/132951455.db2.gz YUZYPXOGQFDMIJ-UHFFFAOYSA-N 1 1 365.437 3.130 1 0 FGAFMO [NH3+][C@@H](c1cccc(Cl)c1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1 ZINC000095586237 221964842 /nfs/dbraw/zinc/96/48/42/221964842.db2.gz NMVQKQZIFRBWNR-INIZCTEOSA-N 1 1 351.797 3.015 1 0 FGAFMO CCn1c2ccccc2n([C@@H]2CC[N@@H+](CC3CCCCC3)C[C@H]2CO)c1=O ZINC000096902434 222136214 /nfs/dbraw/zinc/13/62/14/222136214.db2.gz CMJSRERWDZNRKI-RBUKOAKNSA-N 1 1 371.525 3.259 1 0 FGAFMO COc1cc(C)c2nc3n[nH]c(C)c3c(C[N@@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c2c1 ZINC000101465275 222275050 /nfs/dbraw/zinc/27/50/50/222275050.db2.gz OOOQCFLLXODUKM-FICVDOATSA-N 1 1 366.465 3.224 1 0 FGAFMO NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)[N@@H+](CC1CCC1)CC3 ZINC000013532307 220071647 /nfs/dbraw/zinc/07/16/47/220071647.db2.gz YKFDGWCTDGRKMH-LQBOVUBWSA-N 1 1 352.478 3.284 1 0 FGAFMO NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)[N@H+](CC1CCC1)CC3 ZINC000013532307 220071650 /nfs/dbraw/zinc/07/16/50/220071650.db2.gz YKFDGWCTDGRKMH-LQBOVUBWSA-N 1 1 352.478 3.284 1 0 FGAFMO Cc1[nH]nc2ccc(-c3nnc(NC[C@H]([NH3+])Cc4ccccc4)s3)cc12 ZINC000049066469 221017594 /nfs/dbraw/zinc/01/75/94/221017594.db2.gz YMBNZUUECWJCDF-OAHLLOKOSA-N 1 1 364.478 3.372 1 0 FGAFMO CC(C)n1c(=O)cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000013731379 220090668 /nfs/dbraw/zinc/09/06/68/220090668.db2.gz RUTLJOSDOHQOFL-XYPWUTKMSA-N 1 1 354.450 3.364 1 0 FGAFMO 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 220549304 /nfs/dbraw/zinc/54/93/04/220549304.db2.gz WIISOWZJALZFBO-KCOBIMDESA-N 1 1 367.489 3.293 1 0 FGAFMO Cc1cc(NS(C)(=O)=O)cc(C)c1OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000035090988 220772854 /nfs/dbraw/zinc/77/28/54/220772854.db2.gz KZUBCHUSOMKNKH-SJLPKXTDSA-N 1 1 366.527 3.318 1 0 FGAFMO COc1ccc([C@@H]2[NH2+]Cc3ccc4c(c3-n3cccc32)OCO4)cc1O ZINC000061852982 221135376 /nfs/dbraw/zinc/13/53/76/221135376.db2.gz ONQCVMVTRRRJOV-SFHVURJKSA-N 1 1 350.374 3.113 3 0 FGAFMO COc1cc(OC)cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccco2)c1 ZINC000103237513 222328341 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