smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2Cn2cncn2)c(F)c1 ZINC000028762690 202176543 /nfs/dbraw/zinc/17/65/43/202176543.db2.gz IYPTYXWBJKTRKX-IBGZPJMESA-N 1 2 340.377 3.356 1 0 EGAFLO Fc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2Cn2cncn2)c(F)c1 ZINC000028762690 202176545 /nfs/dbraw/zinc/17/65/45/202176545.db2.gz IYPTYXWBJKTRKX-IBGZPJMESA-N 1 2 340.377 3.356 1 0 EGAFLO c1c[nH+]c(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc32)[nH]1 ZINC000036382598 202323913 /nfs/dbraw/zinc/32/39/13/202323913.db2.gz PWBGPHVFGDQYNG-UHFFFAOYSA-N 1 2 345.362 3.361 1 0 EGAFLO C[C@H](C(=O)Nc1ccc2[nH+]c(N)nc(N)c2c1Cl)c1ccccc1 ZINC000025966736 202137519 /nfs/dbraw/zinc/13/75/19/202137519.db2.gz RXLSFAZBURTLMV-VIFPVBQESA-N 1 2 341.802 3.190 1 0 EGAFLO O=C1CCC(c2ccc(-n3cc[nH+]c3)cc2)=NN1Cc1ccccc1 ZINC000029210488 202183379 /nfs/dbraw/zinc/18/33/79/202183379.db2.gz DTYAENACTIXTJT-UHFFFAOYSA-N 1 2 330.391 3.399 1 0 EGAFLO CC(C)C(=O)[C@@](O)(Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026011220 201384937 /nfs/dbraw/zinc/38/49/37/201384937.db2.gz WZBSGTBOTMKCDR-OAHLLOKOSA-N 1 2 327.211 3.303 1 0 EGAFLO OCC[NH+]1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccccc32)CC1 ZINC000026383867 202142572 /nfs/dbraw/zinc/14/25/72/202142572.db2.gz IEIKIDQXGHFLJU-NHCUHLMSSA-N 1 2 340.442 3.012 1 0 EGAFLO CS(=O)(=O)Nc1cc[nH+]cc1Oc1ccc(Br)cc1 ZINC000013586673 201365967 /nfs/dbraw/zinc/36/59/67/201365967.db2.gz POERZTJYPCMFQW-UHFFFAOYSA-N 1 2 343.202 3.008 1 0 EGAFLO COc1ccc(Nc2c[nH+]ccc2NS(=O)(=O)C(F)(F)F)cc1 ZINC000049110086 581099645 /nfs/dbraw/zinc/09/96/45/581099645.db2.gz GDUSIQDNSPJJLQ-UHFFFAOYSA-N 1 2 347.318 3.095 1 0 EGAFLO O=S(=O)(c1ccc(-c2ccccc2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000026744144 202147538 /nfs/dbraw/zinc/14/75/38/202147538.db2.gz PFTMEIBREIKVSL-LJQANCHMSA-N 1 2 327.449 3.222 1 0 EGAFLO Cc1nc(-c2ccc(Cl)cc2Nc2[nH+]cnc3[nH]ccc32)n[nH]1 ZINC000029047761 202180299 /nfs/dbraw/zinc/18/02/99/202180299.db2.gz JWYQFWHTSZDXMD-UHFFFAOYSA-N 1 2 325.763 3.448 1 0 EGAFLO O=C1c2ccccc2CC[C@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022933178 202094718 /nfs/dbraw/zinc/09/47/18/202094718.db2.gz XBLBQWNQIGPMRE-FQEVSTJZSA-N 1 2 334.463 3.250 1 0 EGAFLO OCC[NH+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)CC1 ZINC000026383860 202142379 /nfs/dbraw/zinc/14/23/79/202142379.db2.gz IEIKIDQXGHFLJU-LEWJYISDSA-N 1 2 340.442 3.012 1 0 EGAFLO C[C@@H]1[NH+]=CN(Nc2cccc(Cl)c2)[C@H]1c1cccc(C(N)=O)c1 ZINC000029325020 202184048 /nfs/dbraw/zinc/18/40/48/202184048.db2.gz NBXMGILSHDQDAE-MEDUHNTESA-N 1 2 328.803 3.240 1 0 EGAFLO OCC[NH+]1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)CC1 ZINC000026383863 202142312 /nfs/dbraw/zinc/14/23/12/202142312.db2.gz IEIKIDQXGHFLJU-SFTDATJTSA-N 1 2 340.442 3.012 1 0 EGAFLO O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000103269900 204071116 /nfs/dbraw/zinc/07/11/16/204071116.db2.gz SMTNPXAWRZTFQE-MOPGFXCFSA-N 1 2 337.423 3.191 1 0 EGAFLO CCC(C)(C)n1nnnc1[C@@H](c1ccncc1)[NH+]1CCC(C)CC1 ZINC000004925299 210325725 /nfs/dbraw/zinc/32/57/25/210325725.db2.gz IFAFCECVQPUVJH-MRXNPFEDSA-N 1 2 328.464 3.035 3 0 EGAFLO COc1cc2c3c(c1O)-c1cc(OC)c(OC)cc1C[C@H]3[N@H+](C)CC2 ZINC000001569328 286261560 /nfs/dbraw/zinc/26/15/60/286261560.db2.gz SAERKXUSZPTMCQ-CQSZACIVSA-N 1 2 341.407 3.170 1 0 EGAFLO COc1cc2c3c(c1O)-c1cc(OC)c(OC)cc1C[C@H]3[N@@H+](C)CC2 ZINC000001569328 286261561 /nfs/dbraw/zinc/26/15/61/286261561.db2.gz SAERKXUSZPTMCQ-CQSZACIVSA-N 1 2 341.407 3.170 1 0 EGAFLO CC(C)(C)c1cc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)no1 ZINC000072109183 216010315 /nfs/dbraw/zinc/01/03/15/216010315.db2.gz NRVDMLITQQRCRF-UHFFFAOYSA-N 1 2 343.431 3.111 1 0 EGAFLO Cc1nnc2n1-c1ccc(Cl)cc1C(N1CCCCCC1)=[NH+]C2 ZINC000027999424 212594118 /nfs/dbraw/zinc/59/41/18/212594118.db2.gz FNERIQZCVDKSLQ-UHFFFAOYSA-N 1 2 329.835 3.365 1 0 EGAFLO C[NH+]1CCN(Cc2cccc(-c3[nH]nc4c3Cc3ccccc3-4)c2)CC1 ZINC000036338887 213085954 /nfs/dbraw/zinc/08/59/54/213085954.db2.gz HIRJLNIMTUEDIZ-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO CN1CC[NH+](Cc2cccc(-c3[nH]nc4c3Cc3ccccc3-4)c2)CC1 ZINC000036338887 213085956 /nfs/dbraw/zinc/08/59/56/213085956.db2.gz HIRJLNIMTUEDIZ-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO CN1CC[NH+](Cc2cccc(-c3n[nH]c4c3Cc3ccccc3-4)c2)CC1 ZINC000036338887 213085958 /nfs/dbraw/zinc/08/59/58/213085958.db2.gz HIRJLNIMTUEDIZ-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO C[NH+]1CCN(Cc2cccc(-c3n[nH]c4c3Cc3ccccc3-4)c2)CC1 ZINC000036338887 213085952 /nfs/dbraw/zinc/08/59/52/213085952.db2.gz HIRJLNIMTUEDIZ-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO CCC(C)(C)n1nnnc1[C@H](c1ccncc1)[NH+]1CCC(C)CC1 ZINC000004925304 210326155 /nfs/dbraw/zinc/32/61/55/210326155.db2.gz IFAFCECVQPUVJH-INIZCTEOSA-N 1 2 328.464 3.035 3 0 EGAFLO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(N3C(=O)CCC3=O)cc12 ZINC000036064707 132391161 /nfs/dbraw/zinc/39/11/61/132391161.db2.gz SSRRHOKSULXKMG-UHFFFAOYSA-N 1 2 337.423 3.433 3 0 EGAFLO C[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022459917 212297701 /nfs/dbraw/zinc/29/77/01/212297701.db2.gz FMANCDFISXCUPC-QAPCUYQASA-N 1 2 349.544 3.122 3 0 EGAFLO c1ccc2oc(Oc3ccc(OCC[NH+]4CCOCC4)cc3)nc2c1 ZINC000040420969 581092039 /nfs/dbraw/zinc/09/20/39/581092039.db2.gz NVSWCWWHQRVUDU-UHFFFAOYSA-N 1 2 340.379 3.331 1 0 in-vivo EGAFLO CS(=O)(=O)c1ccc(-c2c[nH+]cn2-c2ccc(F)cc2F)cc1 ZINC000053297291 214175354 /nfs/dbraw/zinc/17/53/54/214175354.db2.gz KSTGPONDKZNQNB-UHFFFAOYSA-N 1 2 334.347 3.221 1 0 EGAFLO CN1CC[NH+](C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 ZINC000038357080 213207101 /nfs/dbraw/zinc/20/71/01/213207101.db2.gz KHYNNQYNYMSTIB-HNNXBMFYSA-N 1 2 342.936 3.428 1 0 EGAFLO O=C1O[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@@H]2N1Cc1ccccn1 ZINC000020997456 212195909 /nfs/dbraw/zinc/19/59/09/212195909.db2.gz RPJDGTJIRUWURW-PKOBYXMFSA-N 1 2 349.390 3.033 1 0 EGAFLO O=C1O[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@@H]2N1Cc1ccccn1 ZINC000020997456 212195913 /nfs/dbraw/zinc/19/59/13/212195913.db2.gz RPJDGTJIRUWURW-PKOBYXMFSA-N 1 2 349.390 3.033 1 0 EGAFLO Cc1nc(C)c(C[NH2+]Cc2nnc3n2CCC[C@H]3C(F)(F)F)s1 ZINC000095402052 218336765 /nfs/dbraw/zinc/33/67/65/218336765.db2.gz SLIDFXAPHNKJEN-SNVBAGLBSA-N 1 2 345.394 3.081 1 0 EGAFLO CNC1=[NH+]c2cncnc2C(c2ccccc2)=N[C@@H]1c1cccs1 ZINC000040915217 213399844 /nfs/dbraw/zinc/39/98/44/213399844.db2.gz KONQAEYNONDMKQ-QGZVFWFLSA-N 1 2 333.420 3.380 1 0 EGAFLO Cc1ccn2cc(CNc3nncc(-c4ccccc4F)n3)[nH+]c2c1 ZINC000011664079 211232317 /nfs/dbraw/zinc/23/23/17/211232317.db2.gz AWBHLFFJKISTJJ-UHFFFAOYSA-N 1 2 334.358 3.246 1 0 EGAFLO C[N@@H+]1CCO[C@@](O)(c2ccc(-c3nc4ccccc4s3)cc2)C1 ZINC000040873882 213396109 /nfs/dbraw/zinc/39/61/09/213396109.db2.gz PJEBUKBZVKAKLF-GOSISDBHSA-N 1 2 326.421 3.070 1 0 in-vitro EGAFLO C[N@H+]1CCO[C@@](O)(c2ccc(-c3nc4ccccc4s3)cc2)C1 ZINC000040873882 213396113 /nfs/dbraw/zinc/39/61/13/213396113.db2.gz PJEBUKBZVKAKLF-GOSISDBHSA-N 1 2 326.421 3.070 1 0 in-vitro EGAFLO NS(=O)(=O)c1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000207633818 1296095269 /nfs/dbraw/zinc/09/52/69/1296095269.db2.gz VQINXDWNGSCRBV-UHFFFAOYSA-N 1 2 333.800 3.279 1 0 EGAFLO Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c[nH+]c2N)cn1 ZINC000072315810 216149294 /nfs/dbraw/zinc/14/92/94/216149294.db2.gz MEZBSZIOMPUBDQ-UHFFFAOYSA-N 1 2 339.420 3.105 1 0 EGAFLO O=S(=O)(Nc1cc[nH+]cc1NC1CCCCCC1)C(F)(F)F ZINC000049014394 581101697 /nfs/dbraw/zinc/10/16/97/581101697.db2.gz PEIXSXDMECGKSF-UHFFFAOYSA-N 1 2 337.367 3.478 1 0 EGAFLO CS(=O)(=O)c1ccc(-c2c[nH+]cn2-c2ccc(F)c(F)c2)cc1 ZINC000053298223 214175637 /nfs/dbraw/zinc/17/56/37/214175637.db2.gz UNLBJBHMXDYZGE-UHFFFAOYSA-N 1 2 334.347 3.221 1 0 EGAFLO CS(=O)(=O)c1ccc(-n2c[nH+]cc2-c2ccc(F)c(F)c2)cc1 ZINC000053298911 214175652 /nfs/dbraw/zinc/17/56/52/214175652.db2.gz FDGQDZXBQWVPJR-UHFFFAOYSA-N 1 2 334.347 3.221 1 0 EGAFLO COc1cc2[nH+]cc(C(N)=O)c(Nc3ccc(F)cc3)c2cc1OC ZINC000040410864 213299899 /nfs/dbraw/zinc/29/98/99/213299899.db2.gz IDQBBASBPGPXKK-UHFFFAOYSA-N 1 2 341.342 3.234 1 0 EGAFLO COc1ncc2c(n1)nc(Nc1c(C)cccc1Cl)c1c[nH+]cn12 ZINC000013582024 581097694 /nfs/dbraw/zinc/09/76/94/581097694.db2.gz IVDUWSOLOLTTEN-UHFFFAOYSA-N 1 2 340.774 3.387 1 0 EGAFLO [O-][n+]1ccc2[nH+]cn(CCOc3ccc(Cc4ccccc4)cc3)c2c1 ZINC000001492405 581099768 /nfs/dbraw/zinc/09/97/68/581099768.db2.gz OBCNLXQJCDOCAL-UHFFFAOYSA-N 1 2 345.402 3.340 1 0 EGAFLO COc1ccc(Cc2[nH]c3cc(OC)c(OC)cc3[nH+]2)cc1OC ZINC000057797548 1291864854 /nfs/dbraw/zinc/86/48/54/1291864854.db2.gz NOQHWGYISLOWJG-UHFFFAOYSA-N 1 2 328.368 3.188 1 0 EGAFLO CC(=O)C[C@@H]1c2ccccc2[NH+]=C(n2cncn2)N1c1ccccc1 ZINC000103176727 219266168 /nfs/dbraw/zinc/26/61/68/219266168.db2.gz AFIGAIYLZNBNTE-GOSISDBHSA-N 1 2 331.379 3.354 1 0 EGAFLO CN1CC[NH+](C[C@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 ZINC000038357082 213207669 /nfs/dbraw/zinc/20/76/69/213207669.db2.gz KHYNNQYNYMSTIB-OAHLLOKOSA-N 1 2 342.936 3.428 1 0 EGAFLO COc1ccc(-c2cnnc(N[C@H](C)Cc3cccc(C)[nH+]3)n2)cc1 ZINC000011821439 211252380 /nfs/dbraw/zinc/25/23/80/211252380.db2.gz LRMAIUZOEJVQBN-CQSZACIVSA-N 1 2 335.411 3.294 1 0 EGAFLO COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(F)cc1)[NH+](C)C ZINC000003441456 210040457 /nfs/dbraw/zinc/04/04/57/210040457.db2.gz LJWGXKAGBASDMZ-SFHVURJKSA-N 1 2 343.398 3.393 3 0 EGAFLO O=c1cc(N2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc2o1 ZINC000103271651 219280582 /nfs/dbraw/zinc/28/05/82/219280582.db2.gz LMINBIOSOBAWOI-UHFFFAOYSA-N 1 2 338.382 3.254 1 0 EGAFLO C[N@@H+]1CCO[C@](O)(c2ccc(-c3nc4ccccc4s3)cc2)C1 ZINC000040873880 213395767 /nfs/dbraw/zinc/39/57/67/213395767.db2.gz PJEBUKBZVKAKLF-SFHVURJKSA-N 1 2 326.421 3.070 1 0 in-vitro EGAFLO C[N@H+]1CCO[C@](O)(c2ccc(-c3nc4ccccc4s3)cc2)C1 ZINC000040873880 213395770 /nfs/dbraw/zinc/39/57/70/213395770.db2.gz PJEBUKBZVKAKLF-SFHVURJKSA-N 1 2 326.421 3.070 1 0 in-vitro EGAFLO O=C1CCc2cc([C@@H](c3cccs3)n3cc[nH+]c3)cc3c2N1CC3 ZINC000095552857 218435073 /nfs/dbraw/zinc/43/50/73/218435073.db2.gz JTFCIEGJRCZARB-IBGZPJMESA-N 1 2 335.432 3.418 1 0 EGAFLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000073129942 216354150 /nfs/dbraw/zinc/35/41/50/216354150.db2.gz RFJSLRZGYCRKKG-UHFFFAOYSA-N 1 2 330.347 3.175 1 0 EGAFLO O=C1COc2cc3[nH+]c(CCc4ccccc4Cl)[nH]c3cc2N1 ZINC000587058082 1298052990 /nfs/dbraw/zinc/05/29/90/1298052990.db2.gz CMZVIWFTUUYJBV-UHFFFAOYSA-N 1 2 327.771 3.332 1 0 EGAFLO C[NH+](C)CCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000103289513 219284152 /nfs/dbraw/zinc/28/41/52/219284152.db2.gz ASRPVWOICPHCSL-UHFFFAOYSA-N 1 2 325.364 3.106 1 0 EGAFLO Oc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)co2)cc1 ZINC000072101391 216007996 /nfs/dbraw/zinc/00/79/96/216007996.db2.gz VEFUAFSOAFWTQO-UHFFFAOYSA-N 1 2 335.407 3.369 1 0 EGAFLO O=C1CCc2cc([C@@H](c3ccccc3)n3cc[nH+]c3)cc3c2N1CC3 ZINC000095554730 218436164 /nfs/dbraw/zinc/43/61/64/218436164.db2.gz DBXDVUDOGFEJMT-HXUWFJFHSA-N 1 2 329.403 3.356 1 0 EGAFLO O=S(=O)(Nc1cc[nH+]cc1Nc1cccc(F)c1)C(F)(F)F ZINC000103267298 219279246 /nfs/dbraw/zinc/27/92/46/219279246.db2.gz RXKPYCRZRFXIIR-UHFFFAOYSA-N 1 2 335.282 3.226 1 0 EGAFLO c1ccc(Nc2ccc(Oc3nccnc3N3CCOCC3)cc2)[nH+]c1 ZINC000103283514 219281903 /nfs/dbraw/zinc/28/19/03/219281903.db2.gz VGCLMLVSRISONU-UHFFFAOYSA-N 1 2 349.394 3.244 1 0 EGAFLO O=C1c2ccc(O)cc2[C@@]23CCCC[C@@H]2[C@@H]1[N@@H+](C[C@@H]1CCCO1)CC3 ZINC000036221727 213077819 /nfs/dbraw/zinc/07/78/19/213077819.db2.gz BSCRKXLANCGZGY-YYKUARIBSA-N 1 2 341.451 3.270 1 0 EGAFLO O=C1c2ccc(O)cc2[C@@]23CCCC[C@@H]2[C@@H]1[N@H+](C[C@@H]1CCCO1)CC3 ZINC000036221727 213077824 /nfs/dbraw/zinc/07/78/24/213077824.db2.gz BSCRKXLANCGZGY-YYKUARIBSA-N 1 2 341.451 3.270 1 0 EGAFLO CN1CC[NH+](C[C@@H]2C[C@@H]3c4ccccc4Cc4ccccc4N3O2)CC1 ZINC000022924351 212333720 /nfs/dbraw/zinc/33/37/20/212333720.db2.gz BELFTABQPVPWDW-SIKLNZKXSA-N 1 2 349.478 3.090 1 0 EGAFLO CC(=O)C[C@H]1c2ccccc2[NH+]=C(n2cncn2)N1c1ccccc1 ZINC000103176730 219265811 /nfs/dbraw/zinc/26/58/11/219265811.db2.gz AFIGAIYLZNBNTE-SFHVURJKSA-N 1 2 331.379 3.354 1 0 EGAFLO Cc1ccccc1Nc1c[nH+]ccc1NS(=O)(=O)C(F)(F)F ZINC000049037579 202614992 /nfs/dbraw/zinc/61/49/92/202614992.db2.gz PJYHHWIDLOBSMG-UHFFFAOYSA-N 1 2 331.319 3.395 1 0 EGAFLO CCOC(=O)/C=C/c1cc(C(=O)c2ccc(-n3cc[nH+]c3)cc2)cn1C ZINC000026729189 202147543 /nfs/dbraw/zinc/14/75/43/202147543.db2.gz VTCGZFMOVVVBPN-CMDGGOBGSA-N 1 2 349.390 3.018 1 0 EGAFLO O=c1ccc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2o1 ZINC000022939385 202094666 /nfs/dbraw/zinc/09/46/66/202094666.db2.gz QOHYXHDSILDRGN-UHFFFAOYSA-N 1 2 334.419 3.111 1 0 EGAFLO Fc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2Cn2cncn2)c(F)c1 ZINC000028762691 202176661 /nfs/dbraw/zinc/17/66/61/202176661.db2.gz IYPTYXWBJKTRKX-LJQANCHMSA-N 1 2 340.377 3.356 1 0 EGAFLO Fc1ccc(C[N@H+]2CCc3ccccc3[C@H]2Cn2cncn2)c(F)c1 ZINC000028762691 202176665 /nfs/dbraw/zinc/17/66/65/202176665.db2.gz IYPTYXWBJKTRKX-LJQANCHMSA-N 1 2 340.377 3.356 1 0 EGAFLO COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)[N@@H+]1C ZINC000031719341 201069676 /nfs/dbraw/zinc/06/96/76/201069676.db2.gz ZQCGNPNWSMJDEF-HOTGVXAUSA-N 1 2 341.407 3.244 1 0 EGAFLO COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)[N@H+]1C ZINC000031719341 201069677 /nfs/dbraw/zinc/06/96/77/201069677.db2.gz ZQCGNPNWSMJDEF-HOTGVXAUSA-N 1 2 341.407 3.244 1 0 EGAFLO COc1ccc(-c2cnnc(N[C@@H](C)Cc3cccc(C)[nH+]3)n2)cc1 ZINC000011821438 211252493 /nfs/dbraw/zinc/25/24/93/211252493.db2.gz LRMAIUZOEJVQBN-AWEZNQCLSA-N 1 2 335.411 3.294 1 0 EGAFLO C[C@H]1CC(=O)NN=C1/C=C/c1ccc(-n2c[nH+]c3c2CCCC3)cc1 ZINC000027104177 202151262 /nfs/dbraw/zinc/15/12/62/202151262.db2.gz LVXXOFYIFVLXJA-ZHZWZMEUSA-N 1 2 334.423 3.276 1 0 EGAFLO CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(N)c3[C@H](C1)[C@@H]2NC=O ZINC000036287001 202320002 /nfs/dbraw/zinc/32/00/02/202320002.db2.gz RVUKPUNERJXZRC-SBOFIZKASA-N 1 2 327.815 3.191 1 0 EGAFLO C[NH+](C)[C@@H](Cc1ccccc1)c1ncc(C(=O)c2ccccc2N)o1 ZINC000013311511 201364381 /nfs/dbraw/zinc/36/43/81/201364381.db2.gz NRJOOMIJSJOZAW-KRWDZBQOSA-N 1 2 335.407 3.333 1 0 EGAFLO C[C@H]1CN(c2cccc[nH+]2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000096272445 203887340 /nfs/dbraw/zinc/88/73/40/203887340.db2.gz QLBRKEIFTLOTOG-SIHNGCNOSA-N 1 2 339.483 3.335 1 0 EGAFLO O=c1c2ccccc2c(-c2ccc(F)cc2)nn1CCn1cc[nH+]c1 ZINC000013600480 201903428 /nfs/dbraw/zinc/90/34/28/201903428.db2.gz SNMSQLYCIANFQA-UHFFFAOYSA-N 1 2 334.354 3.099 1 0 EGAFLO C[C@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022459923 202085386 /nfs/dbraw/zinc/08/53/86/202085386.db2.gz FMANCDFISXCUPC-MAUKXSAKSA-N 1 2 349.544 3.122 3 0 EGAFLO CS(=O)(=O)c1ccc(-n2c[nH+]cc2-c2ccc(F)cc2F)cc1 ZINC000033968770 202271693 /nfs/dbraw/zinc/27/16/93/202271693.db2.gz ZYIUGYWGYKFJDB-UHFFFAOYSA-N 1 2 334.347 3.221 1 0 EGAFLO c1ccc(N2CCC(c3nnc4n3-c3ccccc3COC4)CC2)[nH+]c1 ZINC000072122836 203163881 /nfs/dbraw/zinc/16/38/81/203163881.db2.gz FBNZYCBVCFNRDW-UHFFFAOYSA-N 1 2 347.422 3.077 1 0 EGAFLO COc1ccc(-n2c(C)nnc2C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000072123070 203163515 /nfs/dbraw/zinc/16/35/15/203163515.db2.gz KAEOYJPYGWYJDV-UHFFFAOYSA-N 1 2 349.438 3.363 1 0 EGAFLO O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047410801 454368254 /nfs/dbraw/zinc/36/82/54/454368254.db2.gz PYLYEXHQIHHDKD-MRXNPFEDSA-N 1 2 343.858 3.310 1 0 EGAFLO CN(C)C(=O)c1ccc(-c2nc3ccccc3c(-n3cc[nH+]c3)n2)cc1 ZINC000004239423 210149923 /nfs/dbraw/zinc/14/99/23/210149923.db2.gz IVYDOFMDLBQHQM-UHFFFAOYSA-N 1 2 343.390 3.184 1 0 EGAFLO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccon2)CC1 ZINC000012431857 211377927 /nfs/dbraw/zinc/37/79/27/211377927.db2.gz PRZSZMKRCIACBY-UHFFFAOYSA-N 1 2 328.412 3.063 3 0 EGAFLO O=C1CCC(c2ccc(NCc3ccnc4ccccc34)cc2)=[NH+]N1 ZINC000040801555 213388948 /nfs/dbraw/zinc/38/89/48/213388948.db2.gz FXEZKEQKFKTXAK-UHFFFAOYSA-N 1 2 330.391 3.461 1 0 EGAFLO CCCCCN1c2ccccc2[C@@]([NH3+])(c2ccc3c(c2)OCO3)C1=O ZINC000071340972 215763769 /nfs/dbraw/zinc/76/37/69/215763769.db2.gz KIKGQWJOVIVOSY-FQEVSTJZSA-N 1 2 338.407 3.154 1 0 EGAFLO CN1CC[NH+](C[C@H]2C[C@H]3c4ccccc4Cc4ccccc4N3O2)CC1 ZINC000022924347 212334533 /nfs/dbraw/zinc/33/45/33/212334533.db2.gz BELFTABQPVPWDW-KNQAVFIVSA-N 1 2 349.478 3.090 1 0 EGAFLO C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022459911 212298419 /nfs/dbraw/zinc/29/84/19/212298419.db2.gz FMANCDFISXCUPC-YJBOKZPZSA-N 1 2 349.544 3.122 3 0 EGAFLO Cc1cccc(N2CC[NH+](Cc3ccnn3-c3ccccn3)CC2)c1C ZINC000621476556 459919515 /nfs/dbraw/zinc/91/95/15/459919515.db2.gz SPSOGQGGLYWQDV-UHFFFAOYSA-N 1 2 347.466 3.206 1 0 EGAFLO C[N@@H+]1CCO[C@@](O)(c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000040423152 213303156 /nfs/dbraw/zinc/30/31/56/213303156.db2.gz NALOOEVGTGAOHW-QGZVFWFLSA-N 1 2 348.240 3.223 1 0 in-vitro EGAFLO C[N@H+]1CCO[C@@](O)(c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000040423152 213303157 /nfs/dbraw/zinc/30/31/57/213303157.db2.gz NALOOEVGTGAOHW-QGZVFWFLSA-N 1 2 348.240 3.223 1 0 in-vitro EGAFLO Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000103290127 219284737 /nfs/dbraw/zinc/28/47/37/219284737.db2.gz ILVGIRWNXXBQLR-UHFFFAOYSA-N 1 2 348.406 3.007 1 0 EGAFLO C[NH+]1CCN(Cc2cccc3c2Cc2c(-c4ccccc4)n[nH]c2-3)CC1 ZINC000040575387 213354199 /nfs/dbraw/zinc/35/41/99/213354199.db2.gz XXYVZLIWJICVRO-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO C[NH+]1CCN(Cc2cccc3c2Cc2c-3n[nH]c2-c2ccccc2)CC1 ZINC000040575387 213354201 /nfs/dbraw/zinc/35/42/01/213354201.db2.gz XXYVZLIWJICVRO-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO CCCc1cc(NCCO)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000073311587 216376635 /nfs/dbraw/zinc/37/66/35/216376635.db2.gz BEQYIRBFKIJUFY-UHFFFAOYSA-N 1 2 336.233 3.263 1 0 EGAFLO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)NC2CCCCC2)no1 ZINC000011936381 211271049 /nfs/dbraw/zinc/27/10/49/211271049.db2.gz UERXELCWNMWXHB-UHFFFAOYSA-N 1 2 338.411 3.444 1 0 EGAFLO Cc1c[nH]c(CN(C)c2nncc(-c3cccc4ccccc43)n2)[nH+]1 ZINC000011663716 211232299 /nfs/dbraw/zinc/23/22/99/211232299.db2.gz NCOXKBHYZQJLKC-UHFFFAOYSA-N 1 2 330.395 3.360 1 0 EGAFLO C[NH+]1CCN(Cc2ccc3c(c2)-c2[nH]nc(-c4ccccc4)c2C3)CC1 ZINC000036338879 213086012 /nfs/dbraw/zinc/08/60/12/213086012.db2.gz OEXUKNPIWNAZQT-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO C[NH+]1CCN(Cc2ccc3c(c2)-c2n[nH]c(-c4ccccc4)c2C3)CC1 ZINC000036338879 213086017 /nfs/dbraw/zinc/08/60/17/213086017.db2.gz OEXUKNPIWNAZQT-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO CN1CC[NH+](Cc2ccc3c(c2)-c2[nH]nc(-c4ccccc4)c2C3)CC1 ZINC000036338879 213086018 /nfs/dbraw/zinc/08/60/18/213086018.db2.gz OEXUKNPIWNAZQT-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO CN1CC[NH+](Cc2ccc3c(c2)-c2n[nH]c(-c4ccccc4)c2C3)CC1 ZINC000036338879 213086020 /nfs/dbraw/zinc/08/60/20/213086020.db2.gz OEXUKNPIWNAZQT-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO COc1cccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccccn2)C3)c1 ZINC000021639434 212236614 /nfs/dbraw/zinc/23/66/14/212236614.db2.gz CMNDBUCAOHVAPJ-UHFFFAOYSA-N 1 2 347.422 3.182 1 0 EGAFLO COc1cccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccccn2)C3)c1 ZINC000021639434 212236619 /nfs/dbraw/zinc/23/66/19/212236619.db2.gz CMNDBUCAOHVAPJ-UHFFFAOYSA-N 1 2 347.422 3.182 1 0 EGAFLO O=c1cc(OCCn2cc[nH+]c2)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000103292083 219285014 /nfs/dbraw/zinc/28/50/14/219285014.db2.gz SJNRRDZZPNTRRF-UHFFFAOYSA-N 1 2 348.358 3.441 1 0 EGAFLO O=c1cc(-c2ccccc2)oc2cc(OCCn3cc[nH+]c3)cc(O)c12 ZINC000103292083 219285016 /nfs/dbraw/zinc/28/50/16/219285016.db2.gz SJNRRDZZPNTRRF-UHFFFAOYSA-N 1 2 348.358 3.441 1 0 EGAFLO COc1ccc(Cc2[nH]c3cc4c(cc3[nH+]2)OCCCO4)cc1OC ZINC000392268824 1297653468 /nfs/dbraw/zinc/65/34/68/1297653468.db2.gz RIGAXLSBGWFXNM-UHFFFAOYSA-N 1 2 340.379 3.332 1 0 EGAFLO Cc1ccc(C2=[NH+]c3nc4ccccn4c3C(=O)[C@@H]3CCCN23)cc1 ZINC000103245049 219274697 /nfs/dbraw/zinc/27/46/97/219274697.db2.gz UYAUYIMXMLXJFB-HNNXBMFYSA-N 1 2 330.391 3.382 1 0 EGAFLO Cc1nnc(C2CCN(c3cccc[nH+]3)CC2)n1Cc1ccccc1 ZINC000038607926 213217722 /nfs/dbraw/zinc/21/77/22/213217722.db2.gz FZXACOHIPGHLNI-UHFFFAOYSA-N 1 2 333.439 3.414 1 0 EGAFLO COc1cc(C)c(S(=O)(=O)Nc2c[nH+]c3ccccn23)c(C)c1C ZINC000073199357 216363869 /nfs/dbraw/zinc/36/38/69/216363869.db2.gz ADWYCUIPHOBTBI-UHFFFAOYSA-N 1 2 345.424 3.069 1 0 EGAFLO Fc1ccc(N2CC[NH+](Cc3coc(-c4ccco4)n3)CC2)cc1 ZINC000072181147 216066004 /nfs/dbraw/zinc/06/60/04/216066004.db2.gz JLOUTVYMELBAQA-UHFFFAOYSA-N 1 2 327.359 3.396 1 0 EGAFLO CC(C)c1cc(NCCO)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000073311589 216377327 /nfs/dbraw/zinc/37/73/27/216377327.db2.gz VLHXCASXSZRQLR-UHFFFAOYSA-N 1 2 336.233 3.434 1 0 EGAFLO CSc1[nH+]cnc2c1ccn2CC(=O)Nc1ccc(C)c(C)c1 ZINC000036389473 213093240 /nfs/dbraw/zinc/09/32/40/213093240.db2.gz ZTZKMXWKNIZTGH-UHFFFAOYSA-N 1 2 326.425 3.409 3 0 EGAFLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1-c1ccccc1F ZINC000055099679 214273834 /nfs/dbraw/zinc/27/38/34/214273834.db2.gz SWBJPJYCVPTETL-KRWDZBQOSA-N 1 2 345.418 3.144 3 0 EGAFLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1-c1ccccc1F ZINC000055099679 214273836 /nfs/dbraw/zinc/27/38/36/214273836.db2.gz SWBJPJYCVPTETL-KRWDZBQOSA-N 1 2 345.418 3.144 3 0 EGAFLO O=C1c2ccccc2CC[C@@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022933175 212336243 /nfs/dbraw/zinc/33/62/43/212336243.db2.gz XBLBQWNQIGPMRE-HXUWFJFHSA-N 1 2 334.463 3.250 1 0 EGAFLO Cc1[nH]nc2nc3c(C)cc(Cl)cc3c([C@@H](O)c3c[nH+]cn3C)c12 ZINC000073197631 216362470 /nfs/dbraw/zinc/36/24/70/216362470.db2.gz SZMWOWPIZBQHLK-INIZCTEOSA-N 1 2 341.802 3.197 1 0 EGAFLO Cc1[nH+]c2n(c1C)N=C(c1ccccc1)c1cc3c(cc1C2)OCO3 ZINC000011686762 211234555 /nfs/dbraw/zinc/23/45/55/211234555.db2.gz ZFQASTCWCGRURV-UHFFFAOYSA-N 1 2 331.375 3.434 1 0 EGAFLO COC(=O)C1CC[NH+](Cc2coc(-c3ccccc3Cl)n2)CC1 ZINC000072103088 216008143 /nfs/dbraw/zinc/00/81/43/216008143.db2.gz VOZNLDWWKURSEO-UHFFFAOYSA-N 1 2 334.803 3.380 1 0 EGAFLO CCCCCN1c2ccccc2[C@]([NH3+])(c2ccc3c(c2)OCO3)C1=O ZINC000071340971 517555396 /nfs/dbraw/zinc/55/53/96/517555396.db2.gz KIKGQWJOVIVOSY-HXUWFJFHSA-N 1 2 338.407 3.154 1 0 EGAFLO CNc1nc2c(c[nH+]1)c(-c1ccccc1)nn2C[C@H]1CC[C@H](O)CC1 ZINC000101508982 219129583 /nfs/dbraw/zinc/12/95/83/219129583.db2.gz BJFADWIVXIPKGC-OTVXOJSOSA-N 1 2 337.427 3.086 1 0 EGAFLO Cc1[nH]nc2nc3c(C)cc(Cl)cc3c([C@H](O)c3c[nH+]cn3C)c12 ZINC000073197630 216362103 /nfs/dbraw/zinc/36/21/03/216362103.db2.gz SZMWOWPIZBQHLK-MRXNPFEDSA-N 1 2 341.802 3.197 1 0 EGAFLO CNc1nc2c(c[nH+]1)c(-c1ccccc1)nn2C[C@H]1CC[C@@H](O)CC1 ZINC000101508984 219129725 /nfs/dbraw/zinc/12/97/25/219129725.db2.gz BJFADWIVXIPKGC-CTYIDZIISA-N 1 2 337.427 3.086 1 0 EGAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4ccccc4)n[nH]c2-3)CC1 ZINC000036338877 213086836 /nfs/dbraw/zinc/08/68/36/213086836.db2.gz JBXRPFUTHPUIRP-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c(-c4ccccc4)n[nH]c2-3)CC1 ZINC000036338877 213086839 /nfs/dbraw/zinc/08/68/39/213086839.db2.gz JBXRPFUTHPUIRP-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccccc2)CC1 ZINC000036338877 213086843 /nfs/dbraw/zinc/08/68/43/213086843.db2.gz JBXRPFUTHPUIRP-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccccc2)CC1 ZINC000036338877 213086833 /nfs/dbraw/zinc/08/68/33/213086833.db2.gz JBXRPFUTHPUIRP-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO Cc1ccc(O)cc1Nc1cc(N)[nH+]c(-n2cnc3ccccc32)n1 ZINC000036187672 213075764 /nfs/dbraw/zinc/07/57/64/213075764.db2.gz KJXSQSSXPPESAI-UHFFFAOYSA-N 1 2 332.367 3.155 1 0 EGAFLO CCCNc1nc(N[C@H]2CC[C@H](O)CC2)c(-c2ccccn2)c[nH+]1 ZINC000103242189 219274173 /nfs/dbraw/zinc/27/41/73/219274173.db2.gz IPLZGPIOLOENJW-OKILXGFUSA-N 1 2 327.432 3.076 1 0 EGAFLO CCS(=O)(=O)Nc1cc(Cl)cc2c1CCC[C@@H]2c1c[nH]c[nH+]1 ZINC000013580196 211585890 /nfs/dbraw/zinc/58/58/90/211585890.db2.gz KPHOFKGGRDLYCB-LBPRGKRZSA-N 1 2 339.848 3.293 1 0 EGAFLO O=S(=O)(Nc1cc[nH+]cc1Nc1ccc(F)cc1)C(F)(F)F ZINC000103267300 219279195 /nfs/dbraw/zinc/27/91/95/219279195.db2.gz IJPRCYUBHPNMEA-UHFFFAOYSA-N 1 2 335.282 3.226 1 0 EGAFLO O=C1OC2(CCN(c3[nH]c4ccc(F)cc4[nH+]3)CC2)c2ccccc21 ZINC000040430338 213302841 /nfs/dbraw/zinc/30/28/41/213302841.db2.gz QNXVMYVJXUTGAH-UHFFFAOYSA-N 1 2 337.354 3.368 1 0 EGAFLO CC(C)=C[N@H+]1Cc2c3c(ccc2Br)[nH]c(=O)n3C[C@@H]1C ZINC000101647698 219150773 /nfs/dbraw/zinc/15/07/73/219150773.db2.gz IECRVRWMRCHCKJ-JTQLQIEISA-N 1 2 336.233 3.220 1 0 EGAFLO CC(C)=C[N@@H+]1Cc2c3c(ccc2Br)[nH]c(=O)n3C[C@@H]1C ZINC000101647698 219150775 /nfs/dbraw/zinc/15/07/75/219150775.db2.gz IECRVRWMRCHCKJ-JTQLQIEISA-N 1 2 336.233 3.220 1 0 EGAFLO C[N@H+]1CCO[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000040423151 213302612 /nfs/dbraw/zinc/30/26/12/213302612.db2.gz NALOOEVGTGAOHW-KRWDZBQOSA-N 1 2 348.240 3.223 1 0 in-vitro EGAFLO C[N@@H+]1CCO[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000040423151 213302609 /nfs/dbraw/zinc/30/26/09/213302609.db2.gz NALOOEVGTGAOHW-KRWDZBQOSA-N 1 2 348.240 3.223 1 0 in-vitro EGAFLO Cc1cccc2c1-c1sc(C(=O)N3CC[NH+](C)CC3)cc1CO2 ZINC000020355754 212122750 /nfs/dbraw/zinc/12/27/50/212122750.db2.gz ZLOSMIKPNMIHSE-UHFFFAOYSA-N 1 2 328.437 3.004 1 0 EGAFLO CCC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000004400508 210187699 /nfs/dbraw/zinc/18/76/99/210187699.db2.gz WGAIXIOKWBPETF-LBPRGKRZSA-N 1 2 337.851 3.359 3 0 EGAFLO CCC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000004400508 210187703 /nfs/dbraw/zinc/18/77/03/210187703.db2.gz WGAIXIOKWBPETF-LBPRGKRZSA-N 1 2 337.851 3.359 3 0 EGAFLO C[C@@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022459929 212298769 /nfs/dbraw/zinc/29/87/69/212298769.db2.gz FMANCDFISXCUPC-CRAIPNDOSA-N 1 2 349.544 3.122 3 0 EGAFLO CNc1nc(Cl)c(Sc2ccccc2)c(N2CC[NH+](C)CC2)n1 ZINC000034190063 132388195 /nfs/dbraw/zinc/38/81/95/132388195.db2.gz FXWLTAOMDAMINN-UHFFFAOYSA-N 1 2 349.891 3.075 1 0 EGAFLO COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N@@H+]3CCC2 ZINC000015217665 560229427 /nfs/dbraw/zinc/22/94/27/560229427.db2.gz FCYJGRFDMUVIHS-JXFKEZNVSA-N 1 2 327.424 3.062 1 0 biogenic,in-vitro EGAFLO COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N@H+]3CCC2 ZINC000015217665 560229429 /nfs/dbraw/zinc/22/94/29/560229429.db2.gz FCYJGRFDMUVIHS-JXFKEZNVSA-N 1 2 327.424 3.062 1 0 biogenic,in-vitro EGAFLO CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(N)c3[C@@H](C1)[C@@H]2NC=O ZINC000036286998 213082374 /nfs/dbraw/zinc/08/23/74/213082374.db2.gz RVUKPUNERJXZRC-CRPGXEFLSA-N 1 2 327.815 3.191 1 0 EGAFLO COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(F)cc1)[NH+](C)C ZINC000003441459 210040702 /nfs/dbraw/zinc/04/07/02/210040702.db2.gz LJWGXKAGBASDMZ-GOSISDBHSA-N 1 2 343.398 3.393 3 0 EGAFLO CO[C@H]1CC[C@@H](C(=O)Nc2nc(C)c(-c3ccc(N)[nH+]c3)s2)CC1 ZINC000103131217 219259500 /nfs/dbraw/zinc/25/95/00/219259500.db2.gz WNWFDHLMCZOQPH-AULYBMBSSA-N 1 2 346.456 3.239 1 0 EGAFLO CN1CC[NH+](Cc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)CC1 ZINC000036338888 213085260 /nfs/dbraw/zinc/08/52/60/213085260.db2.gz HZLFQVDCKKRZST-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO C[NH+]1CCN(Cc2ccc(-c3[nH]nc4c3Cc3ccccc3-4)cc2)CC1 ZINC000036338888 213085264 /nfs/dbraw/zinc/08/52/64/213085264.db2.gz HZLFQVDCKKRZST-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO C[NH+]1CCN(Cc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)CC1 ZINC000036338888 213085267 /nfs/dbraw/zinc/08/52/67/213085267.db2.gz HZLFQVDCKKRZST-UHFFFAOYSA-N 1 2 344.462 3.395 1 0 EGAFLO [NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ncn[nH]1 ZINC000040935925 581098983 /nfs/dbraw/zinc/09/89/83/581098983.db2.gz UXGPUPRVWVJSBT-INIZCTEOSA-N 1 2 337.383 3.016 1 0 EGAFLO C[NH+](C)c1ccc(Nc2ncc3c(n2)-c2sc(N)nc2CC3)cc1 ZINC000053193347 214168347 /nfs/dbraw/zinc/16/83/47/214168347.db2.gz UURXVIAFQIYUCN-UHFFFAOYSA-N 1 2 338.440 3.091 1 0 EGAFLO O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000003955728 210096232 /nfs/dbraw/zinc/09/62/32/210096232.db2.gz BKDDEVWWGWQIQU-FQEVSTJZSA-N 1 2 339.414 3.353 1 0 EGAFLO CN1CC[NH+](C[C@@H]2C[C@H]3c4ccccc4Cc4ccccc4N3O2)CC1 ZINC000022924342 212335151 /nfs/dbraw/zinc/33/51/51/212335151.db2.gz BELFTABQPVPWDW-UGKGYDQZSA-N 1 2 349.478 3.090 1 0 EGAFLO Cc1cccc(Nc2c[nH+]ccc2NS(=O)(=O)C(F)(F)F)c1 ZINC000049563438 214018724 /nfs/dbraw/zinc/01/87/24/214018724.db2.gz JXSVJEKTMZHWFF-UHFFFAOYSA-N 1 2 331.319 3.395 1 0 EGAFLO CN1CC[NH+](C[C@H]2C[C@@H]3c4ccccc4Cc4ccccc4N3O2)CC1 ZINC000022924356 212334469 /nfs/dbraw/zinc/33/44/69/212334469.db2.gz BELFTABQPVPWDW-DENIHFKCSA-N 1 2 349.478 3.090 1 0 EGAFLO