smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1c2ccccc2[nH+]c2cc([N+](=O)[O-])ccc12 ZINC000005934982 342771838 /nfs/dbraw/zinc/77/18/38/342771838.db2.gz RFGXJQLQGRJKMD-UHFFFAOYSA-N 1 1 239.234 2.878 10 10 BFCEMO CC(C)[C@@H]1CCC[N@@H+]1c1ccc(N)cc1 ZINC000082380120 187265391 /nfs/dbraw/zinc/26/53/91/187265391.db2.gz SMSUHOJIPPDREJ-ZDUSSCGKSA-N 1 1 204.317 2.894 10 10 BFCEMO CC(C)[C@@H]1CCC[N@H+]1c1ccc(N)cc1 ZINC000082380120 187265393 /nfs/dbraw/zinc/26/53/93/187265393.db2.gz SMSUHOJIPPDREJ-ZDUSSCGKSA-N 1 1 204.317 2.894 10 10 BFCEMO [NH3+][C@H](CF)c1c(O)cc(Cl)cc1Cl ZINC000238683554 361178897 /nfs/dbraw/zinc/17/88/97/361178897.db2.gz VTCUTFZSOMRVAL-ZCFIWIBFSA-N 1 1 224.062 2.668 10 10 BFCEMO Oc1ccccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000228155700 183301439 /nfs/dbraw/zinc/30/14/39/183301439.db2.gz HDDAXMZVWBMZCO-HIFRSBDPSA-N 1 1 247.338 2.536 10 10 BFCEMO CC[C@@H](CSC)[NH2+]Cc1cccc(F)c1O ZINC000163180982 384760534 /nfs/dbraw/zinc/76/05/34/384760534.db2.gz MEBLVHNSUXIZKI-JTQLQIEISA-N 1 1 243.347 2.763 10 10 BFCEMO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(F)cc1O ZINC000286193225 387317839 /nfs/dbraw/zinc/31/78/39/387317839.db2.gz RJOWPNXYGFXSAA-ZHAHWJHGSA-N 1 1 223.291 2.980 10 10 BFCEMO CC1(C)CC[NH+](c2ccc(N)cc2)CC1 ZINC000061819232 132387135 /nfs/dbraw/zinc/38/71/35/132387135.db2.gz FKMPILJUBRJOKD-UHFFFAOYSA-N 1 1 204.317 2.895 10 10 BFCEMO COCCC[N@@H+](Cc1ccc(N)cc1)C(C)C ZINC000037753928 174226314 /nfs/dbraw/zinc/22/63/14/174226314.db2.gz JJNBETGMHDFAFU-UHFFFAOYSA-N 1 1 236.359 2.516 10 10 BFCEMO C[C@@H]1CC[N@@H+](CCOc2ccc(N)cc2)[C@H](C)C1 ZINC000051729151 176171208 /nfs/dbraw/zinc/17/12/08/176171208.db2.gz PEQPNARGKPUFJY-CHWSQXEVSA-N 1 1 248.370 2.768 10 10 BFCEMO C[C@H]1CCC[N@@H+](CCCc2ccc(N)cc2)C1 ZINC000020192400 177097085 /nfs/dbraw/zinc/09/70/85/177097085.db2.gz POMINYUXHJDWKG-ZDUSSCGKSA-N 1 1 232.371 2.933 10 10 BFCEMO C[C@H]([NH2+]Cc1cccc(F)c1O)C1(C)CC1 ZINC000309660085 632627505 /nfs/dbraw/zinc/62/75/05/632627505.db2.gz ASMIMQUBOYKJNF-VIFPVBQESA-N 1 1 223.291 2.810 10 10 BFCEMO CC1(C)C[C@@H]1C[NH2+]Cc1cccc(F)c1O ZINC000226608028 640778989 /nfs/dbraw/zinc/77/89/89/640778989.db2.gz AHWSLDDZGVMJBV-SNVBAGLBSA-N 1 1 223.291 2.667 10 10 BFCEMO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C)c2O)o1 ZINC000227556078 640841680 /nfs/dbraw/zinc/84/16/80/640841680.db2.gz QTLAUOPYVMWGNI-LLVKDONJSA-N 1 1 246.310 2.848 10 10 BFCEMO C[C@H]1C[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190951970 641896468 /nfs/dbraw/zinc/89/64/68/641896468.db2.gz KZHRPKMYJIFSPR-IMTBSYHQSA-N 1 1 229.682 2.683 10 10 BFCEMO CC(C)[C@H]([NH3+])c1cc(Cl)c(F)cc1O ZINC000238170904 642794113 /nfs/dbraw/zinc/79/41/13/642794113.db2.gz XJCZVJFLXDAOQV-JTQLQIEISA-N 1 1 217.671 2.841 10 10 BFCEMO CC(C)[C@@H]([NH3+])c1cc(Cl)c(F)cc1O ZINC000238170581 642794428 /nfs/dbraw/zinc/79/44/28/642794428.db2.gz XJCZVJFLXDAOQV-SNVBAGLBSA-N 1 1 217.671 2.841 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]CCC1(F)CCC1 ZINC000702506944 712053376 /nfs/dbraw/zinc/05/33/76/712053376.db2.gz RZEWZOGXTXUCKD-UHFFFAOYSA-N 1 1 241.281 2.903 10 10 BFCEMO CCC(CC)[NH2+]Cc1cccc(F)c1O ZINC000165146870 168390387 /nfs/dbraw/zinc/39/03/87/168390387.db2.gz URDZXZHOJFUUFQ-UHFFFAOYSA-N 1 1 211.280 2.810 10 10 BFCEMO C[N@@H+](Cc1ccc(N)cc1)C1CCSCC1 ZINC000034417130 345828652 /nfs/dbraw/zinc/82/86/52/345828652.db2.gz LCWQERLGNOZTIF-UHFFFAOYSA-N 1 1 236.384 2.596 10 10 BFCEMO CCCCC[NH2+]Cc1cccc(F)c1O ZINC000083346648 384297553 /nfs/dbraw/zinc/29/75/53/384297553.db2.gz QSOLLHOGEROGLW-UHFFFAOYSA-N 1 1 211.280 2.811 10 10 BFCEMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(N)cc1 ZINC000032104046 176070431 /nfs/dbraw/zinc/07/04/31/176070431.db2.gz AKPFESZRSKCEND-CYBMUJFWSA-N 1 1 248.370 2.912 10 10 BFCEMO [NH3+][C@@H](c1ccccc1)c1cc(F)cc(F)c1O ZINC000757146422 586428918 /nfs/dbraw/zinc/42/89/18/586428918.db2.gz UDRTWLYIPUUKII-LBPRGKRZSA-N 1 1 235.233 2.719 10 10 BFCEMO Oc1c(F)cccc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000310554394 632756170 /nfs/dbraw/zinc/75/61/70/632756170.db2.gz HNWSMIZEXRFCPR-SECBINFHSA-N 1 1 245.244 2.809 10 10 BFCEMO Cc1cc(Cl)c(O)c([C@@H]([NH3+])C2CC2)c1 ZINC000095769784 635488684 /nfs/dbraw/zinc/48/86/84/635488684.db2.gz RDNZLTFBHVQVQA-JTQLQIEISA-N 1 1 211.692 2.764 10 10 BFCEMO C[C@H](Cc1ccco1)[NH2+]Cc1cccc(F)c1O ZINC000158702705 641646437 /nfs/dbraw/zinc/64/64/37/641646437.db2.gz VKGPFGQXKFXDSB-SNVBAGLBSA-N 1 1 249.285 2.845 10 10 BFCEMO CCC[C@@H]([NH3+])c1cc(Cl)c(F)cc1O ZINC000238230694 642800813 /nfs/dbraw/zinc/80/08/13/642800813.db2.gz SFJIAKLKGZXSKN-SECBINFHSA-N 1 1 217.671 2.985 10 10 BFCEMO C[C@H]1CC[C@H](C)[NH+]1Cc1cccc(F)c1O ZINC000706499831 712147941 /nfs/dbraw/zinc/14/79/41/712147941.db2.gz SQUMIQJSYUUXKS-UWVGGRQHSA-N 1 1 223.291 2.904 10 10 BFCEMO Oc1c(F)cccc1C[NH2+][C@H]1CCCC12CC2 ZINC000706921297 712160767 /nfs/dbraw/zinc/16/07/67/712160767.db2.gz DSRCKZACMZFIRA-LBPRGKRZSA-N 1 1 235.302 2.954 10 10 BFCEMO [N-]=[N+]=N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N=[N+]=[N-] ZINC000021984487 188271371 /nfs/dbraw/zinc/27/13/71/188271371.db2.gz SJTPNWLLDKCASW-PHIMTYICSA-N 1 1 243.274 2.860 10 10 BFCEMO CC(C)[N@H+](Cc1ccc(N)cc1)C[C@@H]1CCCO1 ZINC000035064786 188284589 /nfs/dbraw/zinc/28/45/89/188284589.db2.gz RQCGDUCKVWGUAX-HNNXBMFYSA-N 1 1 248.370 2.658 10 10 BFCEMO CC(C)[N@H+](Cc1ccc(N)cc1)C[C@H]1CCCO1 ZINC000035064789 188285489 /nfs/dbraw/zinc/28/54/89/188285489.db2.gz RQCGDUCKVWGUAX-OAHLLOKOSA-N 1 1 248.370 2.658 10 10 BFCEMO Oc1ccccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000133467861 183300948 /nfs/dbraw/zinc/30/09/48/183300948.db2.gz HDDAXMZVWBMZCO-ZFWWWQNUSA-N 1 1 247.338 2.536 10 10 BFCEMO CCC[N@@H+](CCc1ccc(N)cc1)CC1CC1 ZINC000036198139 169170124 /nfs/dbraw/zinc/17/01/24/169170124.db2.gz AHFQTCFOYRVFLE-UHFFFAOYSA-N 1 1 232.371 2.933 10 10 BFCEMO COCC[N@@H+](Cc1ccc(N)cc1)[C@@H](C)C1CC1 ZINC000042613977 174299228 /nfs/dbraw/zinc/29/92/28/174299228.db2.gz VAROXXQNDQXBDO-LBPRGKRZSA-N 1 1 248.370 2.516 10 10 BFCEMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(N)cc2)C1 ZINC000032104050 176098655 /nfs/dbraw/zinc/09/86/55/176098655.db2.gz PCNDYFSRKBIZIT-CYBMUJFWSA-N 1 1 248.370 2.770 10 10 BFCEMO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000165163492 176150552 /nfs/dbraw/zinc/15/05/52/176150552.db2.gz DUDFMWZHSKMIJR-BXKDBHETSA-N 1 1 223.291 2.810 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711727142 712322879 /nfs/dbraw/zinc/32/28/79/712322879.db2.gz HHFLZIPUGIOEFQ-SNVBAGLBSA-N 1 1 221.275 2.587 10 10 BFCEMO CC[N@@H+](c1ccc(N)cc1)C1CCSCC1 ZINC000409425192 343818742 /nfs/dbraw/zinc/81/87/42/343818742.db2.gz AARKVQSQEVQSHC-UHFFFAOYSA-N 1 1 236.384 2.991 10 10 BFCEMO CC[N@H+](c1ccc(N)cc1)C1CCSCC1 ZINC000409425192 343818743 /nfs/dbraw/zinc/81/87/43/343818743.db2.gz AARKVQSQEVQSHC-UHFFFAOYSA-N 1 1 236.384 2.991 10 10 BFCEMO CCOCC1CC[NH+](c2ccc(N)cc2)CC1 ZINC000409429448 343805675 /nfs/dbraw/zinc/80/56/75/343805675.db2.gz OFYXFPAQDFXPJG-UHFFFAOYSA-N 1 1 234.343 2.522 10 10 BFCEMO CCOC[C@@H]1CCC[N@@H+](c2ccc(N)cc2)C1 ZINC000409434078 343831122 /nfs/dbraw/zinc/83/11/22/343831122.db2.gz ZPRZEVSAQQSJDJ-GFCCVEGCSA-N 1 1 234.343 2.522 10 10 BFCEMO CCOC[C@@H]1CCC[N@H+](c2ccc(N)cc2)C1 ZINC000409434078 343831124 /nfs/dbraw/zinc/83/11/24/343831124.db2.gz ZPRZEVSAQQSJDJ-GFCCVEGCSA-N 1 1 234.343 2.522 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]Cc1ccc(F)cc1 ZINC000083380255 183254483 /nfs/dbraw/zinc/25/44/83/183254483.db2.gz KHEADPAHVXKHHP-UHFFFAOYSA-N 1 1 249.260 2.960 10 10 BFCEMO Cc1ccc(OCc2ccccc2)c(N)[nH+]1 ZINC000039279581 384110378 /nfs/dbraw/zinc/11/03/78/384110378.db2.gz BTHRRSQFZHTZCQ-UHFFFAOYSA-N 1 1 214.268 2.551 10 10 BFCEMO CC[C@H](c1ccccc1O)[N@H+]1CCOC[C@@H](C)C1 ZINC000377550561 385120291 /nfs/dbraw/zinc/12/02/91/385120291.db2.gz PMVNFTGYVDCZQU-GXTWGEPZSA-N 1 1 249.354 2.812 10 10 BFCEMO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(F)cc1O ZINC000062748458 386604133 /nfs/dbraw/zinc/60/41/33/386604133.db2.gz FDQPOMPNJKAXPY-LAEOZQHASA-N 1 1 209.264 2.590 10 10 BFCEMO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(F)cc1O ZINC000062748460 386605354 /nfs/dbraw/zinc/60/53/54/386605354.db2.gz FDQPOMPNJKAXPY-DKCNOQQISA-N 1 1 209.264 2.590 10 10 BFCEMO C[C@@H]1CCC[N@@H+](c2ccc(N)cc2)[C@@H]1C ZINC000060117108 132368674 /nfs/dbraw/zinc/36/86/74/132368674.db2.gz XOWPLTYDDCBUAJ-GHMZBOCLSA-N 1 1 204.317 2.894 10 10 BFCEMO C[C@@H]1CCC[N@H+](c2ccc(N)cc2)[C@@H]1C ZINC000060117108 132368675 /nfs/dbraw/zinc/36/86/75/132368675.db2.gz XOWPLTYDDCBUAJ-GHMZBOCLSA-N 1 1 204.317 2.894 10 10 BFCEMO C[C@@H]1CC[N@@H+](c2ccc(N)cc2)[C@H](C)C1 ZINC000060392671 132368744 /nfs/dbraw/zinc/36/87/44/132368744.db2.gz SZIYGJYLARQKCR-GHMZBOCLSA-N 1 1 204.317 2.894 10 10 BFCEMO C[C@@H]1CC[N@H+](c2ccc(N)cc2)[C@H](C)C1 ZINC000060392671 132368745 /nfs/dbraw/zinc/36/87/45/132368745.db2.gz SZIYGJYLARQKCR-GHMZBOCLSA-N 1 1 204.317 2.894 10 10 BFCEMO CC1=CC[N@@H+](CCCOc2ccc(N)cc2)CC1 ZINC000075423287 168109505 /nfs/dbraw/zinc/10/95/05/168109505.db2.gz FBOMUSNLCWDVAM-UHFFFAOYSA-N 1 1 246.354 2.690 10 10 BFCEMO C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)[C@H](C)C1 ZINC000051728791 176175967 /nfs/dbraw/zinc/17/59/67/176175967.db2.gz ZERJUTIKSIAKGR-VXGBXAGGSA-N 1 1 218.344 2.889 10 10 BFCEMO C[C@H]1CCC[N@H+]1CCCOc1ccc(N)cc1 ZINC000037909952 177108842 /nfs/dbraw/zinc/10/88/42/177108842.db2.gz FBHYLOHAZWGJIM-LBPRGKRZSA-N 1 1 234.343 2.522 10 10 BFCEMO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000165163600 177142637 /nfs/dbraw/zinc/14/26/37/177142637.db2.gz DUDFMWZHSKMIJR-JOYOIKCWSA-N 1 1 223.291 2.810 10 10 BFCEMO C[C@H](C[NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000163169805 633050606 /nfs/dbraw/zinc/05/06/06/633050606.db2.gz QYBGGFVPZKYVHP-SECBINFHSA-N 1 1 223.291 2.667 10 10 BFCEMO CC[C@@H]([NH3+])c1cc(Br)cc(F)c1O ZINC000095716514 636053449 /nfs/dbraw/zinc/05/34/49/636053449.db2.gz RCPJRYYKOVKOME-MRVPVSSYSA-N 1 1 248.095 2.704 10 10 BFCEMO CC(C)[C@H](C)C[NH2+]Cc1cccc(F)c1O ZINC000165166994 640541878 /nfs/dbraw/zinc/54/18/78/640541878.db2.gz HNSOTKWHCBEFHQ-SNVBAGLBSA-N 1 1 225.307 2.913 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCCS1 ZINC000165172955 640545143 /nfs/dbraw/zinc/54/51/43/640545143.db2.gz LJBPGBZETSBWIY-JTQLQIEISA-N 1 1 241.331 2.517 10 10 BFCEMO C[C@@H]1C[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190951925 641895512 /nfs/dbraw/zinc/89/55/12/641895512.db2.gz KZHRPKMYJIFSPR-MUWHJKNJSA-N 1 1 229.682 2.683 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]CCC1CC=CC1 ZINC000724193145 711568458 /nfs/dbraw/zinc/56/84/58/711568458.db2.gz DIFCOSJWOMWCMC-UHFFFAOYSA-N 1 1 235.302 2.977 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]C[C@H]1C=CCC1 ZINC000711727141 712323053 /nfs/dbraw/zinc/32/30/53/712323053.db2.gz HHFLZIPUGIOEFQ-JTQLQIEISA-N 1 1 221.275 2.587 10 10 BFCEMO Oc1c(F)cccc1C[NH2+][C@@H]1CC=CCC1 ZINC000165168647 183255493 /nfs/dbraw/zinc/25/54/93/183255493.db2.gz BOIMEEFJHSZUMC-LLVKDONJSA-N 1 1 221.275 2.730 10 10 BFCEMO CCC1([NH2+]Cc2cccc(F)c2O)CCC1 ZINC000163177552 384762791 /nfs/dbraw/zinc/76/27/91/384762791.db2.gz RYBVXRTZUBSZCV-UHFFFAOYSA-N 1 1 223.291 2.954 10 10 BFCEMO CC[C@@H]1CCC[N@H+]1CCOc1ccc(N)cc1 ZINC000037913109 170981329 /nfs/dbraw/zinc/98/13/29/170981329.db2.gz PDYLQSSVUBVHIX-CYBMUJFWSA-N 1 1 234.343 2.522 10 10 BFCEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(N)ccc1O ZINC000042601661 176086277 /nfs/dbraw/zinc/08/62/77/176086277.db2.gz AJBZQPXKRCRLQT-BXUZGUMPSA-N 1 1 248.370 2.985 10 10 BFCEMO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000165163370 177126940 /nfs/dbraw/zinc/12/69/40/177126940.db2.gz DUDFMWZHSKMIJR-CABZTGNLSA-N 1 1 223.291 2.810 10 10 BFCEMO Cc1cc(Cl)c(O)c([C@H]([NH3+])C2CC2)c1 ZINC000095781020 635490535 /nfs/dbraw/zinc/49/05/35/635490535.db2.gz RDNZLTFBHVQVQA-SNVBAGLBSA-N 1 1 211.692 2.764 10 10 BFCEMO Nc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c12 ZINC000006117603 188277210 /nfs/dbraw/zinc/27/72/10/188277210.db2.gz IOQZSOCPFYNJIG-UHFFFAOYSA-N 1 1 239.234 2.878 10 10 BFCEMO Nc1ccc([NH+]2CCC(C(F)F)CC2)cc1 ZINC000258041825 359343196 /nfs/dbraw/zinc/34/31/96/359343196.db2.gz QEIDBGFZVBYUHK-UHFFFAOYSA-N 1 1 226.270 2.750 10 10 BFCEMO CCC[N@H+]1CCC[C@@H](c2ccc(O)c(O)c2)C1 ZINC000005833832 169195196 /nfs/dbraw/zinc/19/51/96/169195196.db2.gz JBPMHBLMULBWFU-GFCCVEGCSA-N 1 1 235.327 2.687 10 10 BFCEMO CSC(C)(C)C[NH2+]Cc1cccc(F)c1O ZINC000163177426 384761186 /nfs/dbraw/zinc/76/11/86/384761186.db2.gz SKRFNUSSCYLBPX-UHFFFAOYSA-N 1 1 243.347 2.763 10 10 BFCEMO CC[C@H](CSC)[NH2+]Cc1cccc(F)c1O ZINC000163181078 384761511 /nfs/dbraw/zinc/76/15/11/384761511.db2.gz MEBLVHNSUXIZKI-SNVBAGLBSA-N 1 1 243.347 2.763 10 10 BFCEMO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(F)cc1O ZINC000062748457 385188240 /nfs/dbraw/zinc/18/82/40/385188240.db2.gz FDQPOMPNJKAXPY-FYBVGQRMSA-N 1 1 209.264 2.590 10 10 BFCEMO CC(C)OCC[N@@H+](Cc1ccc(N)cc1)C1CC1 ZINC000049259854 167228562 /nfs/dbraw/zinc/22/85/62/167228562.db2.gz YJYBCDAMQXUTJO-UHFFFAOYSA-N 1 1 248.370 2.658 10 10 BFCEMO CCC(C)(C)[NH2+]Cc1cccc(F)c1O ZINC000165146736 168299284 /nfs/dbraw/zinc/29/92/84/168299284.db2.gz DVKOSSPYDSLVOC-UHFFFAOYSA-N 1 1 211.280 2.810 10 10 BFCEMO C[C@@H]1CCC[N@@H+](CCCc2ccc(N)cc2)C1 ZINC000020192397 176098868 /nfs/dbraw/zinc/09/88/68/176098868.db2.gz POMINYUXHJDWKG-CYBMUJFWSA-N 1 1 232.371 2.933 10 10 BFCEMO C[C@H]([N@@H+](C)Cc1cc(N)ccc1O)C(C)(C)C ZINC000042737083 176744619 /nfs/dbraw/zinc/74/46/19/176744619.db2.gz VKGDBMSVWATRJB-JTQLQIEISA-N 1 1 236.359 2.841 10 10 BFCEMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N)cc1 ZINC000051728792 177162830 /nfs/dbraw/zinc/16/28/30/177162830.db2.gz ZERJUTIKSIAKGR-NWDGAFQWSA-N 1 1 218.344 2.889 10 10 BFCEMO [NH3+][C@@H](c1cc(Cl)c(F)cc1O)C1CC1 ZINC000238658473 632114664 /nfs/dbraw/zinc/11/46/64/632114664.db2.gz VJDOYSCQEYBULM-SNVBAGLBSA-N 1 1 215.655 2.595 10 10 BFCEMO Oc1ccccc1C[NH2+]Cc1cccc(F)c1O ZINC000166080765 640611826 /nfs/dbraw/zinc/61/18/26/640611826.db2.gz MDZKAGUTTDHIIR-UHFFFAOYSA-N 1 1 247.269 2.527 10 10 BFCEMO CC1(C)C[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000226608033 640777796 /nfs/dbraw/zinc/77/77/96/640777796.db2.gz AHWSLDDZGVMJBV-JTQLQIEISA-N 1 1 223.291 2.667 10 10 BFCEMO CC(C)(C)[C@@H]([NH3+])c1cc(F)cc(F)c1O ZINC000238137005 641152498 /nfs/dbraw/zinc/15/24/98/641152498.db2.gz GIOZNEZSABIOAJ-JTQLQIEISA-N 1 1 215.243 2.716 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000158749735 641648705 /nfs/dbraw/zinc/64/87/05/641648705.db2.gz HQLVIHFIBAYSAO-NSHDSACASA-N 1 1 235.302 2.977 10 10 BFCEMO Cc1c[nH+]c(N)c(OCc2ccccc2)c1 ZINC000075623967 188308106 /nfs/dbraw/zinc/30/81/06/188308106.db2.gz YZYZGZAZFWYRST-UHFFFAOYSA-N 1 1 214.268 2.551 10 10 BFCEMO CC(C)[C@H]1CCC[N@@H+]1c1ccc(N)cc1 ZINC000082380121 188293462 /nfs/dbraw/zinc/29/34/62/188293462.db2.gz SMSUHOJIPPDREJ-CYBMUJFWSA-N 1 1 204.317 2.894 10 10 BFCEMO CC(C)[C@H]1CCC[N@H+]1c1ccc(N)cc1 ZINC000082380121 188293464 /nfs/dbraw/zinc/29/34/64/188293464.db2.gz SMSUHOJIPPDREJ-CYBMUJFWSA-N 1 1 204.317 2.894 10 10 BFCEMO Oc1ccccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000228155689 183301374 /nfs/dbraw/zinc/30/13/74/183301374.db2.gz HDDAXMZVWBMZCO-UKRRQHHQSA-N 1 1 247.338 2.536 10 10 BFCEMO CCC[C@@H](C)[N@@H+](C)CCOc1ccc(N)cc1 ZINC000036789730 169364707 /nfs/dbraw/zinc/36/47/07/169364707.db2.gz UHPDDQBFFOXILM-GFCCVEGCSA-N 1 1 236.359 2.768 10 10 BFCEMO C[NH+](C)Cc1cc(Cl)c2cccnc2c1O ZINC000096336286 384453822 /nfs/dbraw/zinc/45/38/22/384453822.db2.gz XDBJPIMUEMEJLT-UHFFFAOYSA-N 1 1 236.702 2.655 10 10 BFCEMO CC[C@H](c1ccccc1O)[N@H+]1CCOC[C@H](C)C1 ZINC000377550564 385120375 /nfs/dbraw/zinc/12/03/75/385120375.db2.gz PMVNFTGYVDCZQU-TZMCWYRMSA-N 1 1 249.354 2.812 10 10 BFCEMO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(F)cc1O ZINC000286193216 387319540 /nfs/dbraw/zinc/31/95/40/387319540.db2.gz RJOWPNXYGFXSAA-KPXOXKRLSA-N 1 1 223.291 2.980 10 10 BFCEMO CC1([NH2+]Cc2cccc(F)c2O)CCC1 ZINC000163183480 168064314 /nfs/dbraw/zinc/06/43/14/168064314.db2.gz BLTYYOYYMWNUKW-UHFFFAOYSA-N 1 1 209.264 2.564 10 10 BFCEMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(N)cc1 ZINC000032104048 177075414 /nfs/dbraw/zinc/07/54/14/177075414.db2.gz AKPFESZRSKCEND-ZDUSSCGKSA-N 1 1 248.370 2.912 10 10 BFCEMO CSCCCC[NH2+]Cc1cccc(F)c1O ZINC000163175097 636131863 /nfs/dbraw/zinc/13/18/63/636131863.db2.gz VUZUIZZXXFJXFQ-UHFFFAOYSA-N 1 1 243.347 2.764 10 10 BFCEMO C[C@@H]1C[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190951955 641896327 /nfs/dbraw/zinc/89/63/27/641896327.db2.gz KZHRPKMYJIFSPR-HZGVNTEJSA-N 1 1 229.682 2.683 10 10 BFCEMO CC(C)(C)c1cc(Cl)c(O)c(C[NH3+])c1 ZINC000026010187 188282900 /nfs/dbraw/zinc/28/29/00/188282900.db2.gz SGTQPEPZPLTJBA-UHFFFAOYSA-N 1 1 213.708 2.802 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]C1CCCC1 ZINC000083345793 183254696 /nfs/dbraw/zinc/25/46/96/183254696.db2.gz HQECXXXNUPMPKZ-UHFFFAOYSA-N 1 1 209.264 2.564 10 10 BFCEMO Oc1ccc(C[NH2+]Cc2ccccc2F)cc1O ZINC000019949718 183270220 /nfs/dbraw/zinc/27/02/20/183270220.db2.gz FWESPDIHFGGWBZ-UHFFFAOYSA-N 1 1 247.269 2.527 10 10 BFCEMO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(F)cc1O ZINC000286193209 387319494 /nfs/dbraw/zinc/31/94/94/387319494.db2.gz RJOWPNXYGFXSAA-JFUSQASVSA-N 1 1 223.291 2.980 10 10 BFCEMO C[C@@H]1C[C@@H](C)CC[N@H+]1c1ccc(N)cc1 ZINC000060392672 132368727 /nfs/dbraw/zinc/36/87/27/132368727.db2.gz SZIYGJYLARQKCR-WDEREUQCSA-N 1 1 204.317 2.894 10 10 BFCEMO C[C@@H]1C[C@@H](C)CC[N@@H+]1c1ccc(N)cc1 ZINC000060392672 132368728 /nfs/dbraw/zinc/36/87/28/132368728.db2.gz SZIYGJYLARQKCR-WDEREUQCSA-N 1 1 204.317 2.894 10 10 BFCEMO CC(C)[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000165148079 167381796 /nfs/dbraw/zinc/38/17/96/167381796.db2.gz JSJJHZTYDJPMGB-SECBINFHSA-N 1 1 211.280 2.665 10 10 BFCEMO CC[C@@H]1CCC[N@H+]1CCCOc1ccc(N)cc1 ZINC000037913117 170981551 /nfs/dbraw/zinc/98/15/51/170981551.db2.gz NHCKLBJMZOMTOS-CQSZACIVSA-N 1 1 248.370 2.912 10 10 BFCEMO C[N@@H+](Cc1cccs1)Cc1ccc(N)cc1 ZINC000035360450 172854151 /nfs/dbraw/zinc/85/41/51/172854151.db2.gz ZUVRGGLRKZPHMS-UHFFFAOYSA-N 1 1 232.352 2.962 10 10 BFCEMO C[C@@H]1C[C@H](C)C[N@H+](CCc2ccc(N)cc2)C1 ZINC000011570450 177313259 /nfs/dbraw/zinc/31/32/59/177313259.db2.gz QBDVJALVSMVVTL-BETUJISGSA-N 1 1 232.371 2.789 10 10 BFCEMO C[C@H]([NH2+]Cc1cccc(F)c1O)c1cccnc1 ZINC000161608330 632104347 /nfs/dbraw/zinc/10/43/47/632104347.db2.gz PBMVQNUFHPHGRX-JTQLQIEISA-N 1 1 246.285 2.777 10 10 BFCEMO Oc1c(F)cccc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000310554395 632755662 /nfs/dbraw/zinc/75/56/62/632755662.db2.gz HNWSMIZEXRFCPR-VIFPVBQESA-N 1 1 245.244 2.809 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCCS1 ZINC000165173070 640545492 /nfs/dbraw/zinc/54/54/92/640545492.db2.gz LJBPGBZETSBWIY-SNVBAGLBSA-N 1 1 241.331 2.517 10 10 BFCEMO CCC[C@H]([NH3+])c1cc(Cl)c(F)cc1O ZINC000238244089 711888327 /nfs/dbraw/zinc/88/83/27/711888327.db2.gz SFJIAKLKGZXSKN-VIFPVBQESA-N 1 1 217.671 2.985 10 10 BFCEMO Cc1cc(Cl)c(O)c([C@@H]2CCC[NH2+]2)c1 ZINC000072202025 178060351 /nfs/dbraw/zinc/06/03/51/178060351.db2.gz CCAXWTBQTCVYIJ-JTQLQIEISA-N 1 1 211.692 2.779 10 10 BFCEMO Cc1ccc(OCc2ccc(F)cc2)c(N)[nH+]1 ZINC000050440890 178816093 /nfs/dbraw/zinc/81/60/93/178816093.db2.gz YVIXHLSZCDORGB-UHFFFAOYSA-N 1 1 232.258 2.690 10 10 BFCEMO [NH3+][C@@H](CF)c1c(O)cc(Cl)cc1Cl ZINC000238572117 361156187 /nfs/dbraw/zinc/15/61/87/361156187.db2.gz VTCUTFZSOMRVAL-LURJTMIESA-N 1 1 224.062 2.668 10 10 BFCEMO Oc1cc(F)c(Cl)cc1[C@@H]1CCC[NH2+]1 ZINC000072202112 183259272 /nfs/dbraw/zinc/25/92/72/183259272.db2.gz DFHGVLUKQCHJBH-VIFPVBQESA-N 1 1 215.655 2.609 10 10 BFCEMO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(F)cc1O ZINC000286193220 387319067 /nfs/dbraw/zinc/31/90/67/387319067.db2.gz RJOWPNXYGFXSAA-UWJYBYFXSA-N 1 1 223.291 2.980 10 10 BFCEMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1ccc(N)cc1 ZINC000050563143 177100635 /nfs/dbraw/zinc/10/06/35/177100635.db2.gz XZSYVMAMLOSVPP-QWHCGFSZSA-N 1 1 248.370 2.768 10 10 BFCEMO C[C@@H]([NH2+]Cc1cccc(F)c1O)c1ccccn1 ZINC000161608184 633009676 /nfs/dbraw/zinc/00/96/76/633009676.db2.gz RNDYQVQSSISSKW-SNVBAGLBSA-N 1 1 246.285 2.777 10 10 BFCEMO C[C@@H](C[NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000163169713 636081897 /nfs/dbraw/zinc/08/18/97/636081897.db2.gz QYBGGFVPZKYVHP-VIFPVBQESA-N 1 1 223.291 2.667 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]CCC(F)(F)F ZINC000165162994 640542608 /nfs/dbraw/zinc/54/26/08/640542608.db2.gz JQJYMGKGVCLPGP-UHFFFAOYSA-N 1 1 237.196 2.573 10 10 BFCEMO CCC[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000165147158 640542917 /nfs/dbraw/zinc/54/29/17/640542917.db2.gz HCHBZTATSXHTHN-SECBINFHSA-N 1 1 211.280 2.810 10 10 BFCEMO CC(C)[C@@H](C)C[NH2+]Cc1cccc(F)c1O ZINC000165166876 640543224 /nfs/dbraw/zinc/54/32/24/640543224.db2.gz HNSOTKWHCBEFHQ-JTQLQIEISA-N 1 1 225.307 2.913 10 10 BFCEMO CC[C@@H](c1ccccc1O)[N@H+]1CCCO[C@@H](C)C1 ZINC000217863134 134250356 /nfs/dbraw/zinc/25/03/56/134250356.db2.gz ZPXYMBQJHNFFEH-JSGCOSHPSA-N 1 1 249.354 2.954 10 10 BFCEMO CCC[N@H+](Cc1cc(N)ccc1O)CC1CC1 ZINC000036197756 169174140 /nfs/dbraw/zinc/17/41/40/169174140.db2.gz NXZRANSPKBQIEM-UHFFFAOYSA-N 1 1 234.343 2.596 10 10 BFCEMO Oc1ccccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000133468058 183301410 /nfs/dbraw/zinc/30/14/10/183301410.db2.gz HDDAXMZVWBMZCO-DZGCQCFKSA-N 1 1 247.338 2.536 10 10 BFCEMO CCC[N@H+]1CCC[C@H](c2ccc(O)c(O)c2)C1 ZINC000005833744 169198165 /nfs/dbraw/zinc/19/81/65/169198165.db2.gz JBPMHBLMULBWFU-LBPRGKRZSA-N 1 1 235.327 2.687 10 10 BFCEMO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000226612559 386343879 /nfs/dbraw/zinc/34/38/79/386343879.db2.gz PNJIOXSWXRTRTM-BXKDBHETSA-N 1 1 223.291 2.810 10 10 BFCEMO CCC1(C[NH2+]Cc2cccc(F)c2O)CC1 ZINC000226613819 386345056 /nfs/dbraw/zinc/34/50/56/386345056.db2.gz HALUKGZWXSIRNH-UHFFFAOYSA-N 1 1 223.291 2.811 10 10 BFCEMO CC(C)[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000165148204 388250992 /nfs/dbraw/zinc/25/09/92/388250992.db2.gz JSJJHZTYDJPMGB-VIFPVBQESA-N 1 1 211.280 2.665 10 10 BFCEMO CC[N@H+](Cc1ccc(N)cc1)C[C@H]1CCCCO1 ZINC000036231135 169907103 /nfs/dbraw/zinc/90/71/03/169907103.db2.gz BAQLISMJIBUWFQ-OAHLLOKOSA-N 1 1 248.370 2.660 10 10 BFCEMO CC[C@H]1CCC[N@@H+](CCOc2ccc(N)cc2)C1 ZINC000036168649 171615904 /nfs/dbraw/zinc/61/59/04/171615904.db2.gz VJPNPESTVXWFIK-ZDUSSCGKSA-N 1 1 248.370 2.770 10 10 BFCEMO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000165163267 176131856 /nfs/dbraw/zinc/13/18/56/176131856.db2.gz DUDFMWZHSKMIJR-SKDRFNHKSA-N 1 1 223.291 2.810 10 10 BFCEMO CC(C)C[C@H]([NH3+])c1cc(F)cc(F)c1O ZINC000757147072 582530521 /nfs/dbraw/zinc/53/05/21/582530521.db2.gz WQCUZDKYRYACIL-JTQLQIEISA-N 1 1 215.243 2.716 10 10 BFCEMO CC[C@H]([NH3+])c1cc(Br)cc(F)c1O ZINC000095706633 636052937 /nfs/dbraw/zinc/05/29/37/636052937.db2.gz RCPJRYYKOVKOME-QMMMGPOBSA-N 1 1 248.095 2.704 10 10 BFCEMO [NH3+][C@H](c1cc(Cl)c(F)cc1O)C1CC1 ZINC000238570348 642821368 /nfs/dbraw/zinc/82/13/68/642821368.db2.gz VJDOYSCQEYBULM-JTQLQIEISA-N 1 1 215.655 2.595 10 10 BFCEMO CC[C@H]([NH3+])c1cc(Cl)c(F)cc1O ZINC000238311935 711889261 /nfs/dbraw/zinc/88/92/61/711889261.db2.gz GOQSGVKDWUHQMD-QMMMGPOBSA-N 1 1 203.644 2.595 10 10 BFCEMO Cc1cc(Cl)c(O)c([C@H]2CCC[NH2+]2)c1 ZINC000072202026 178060674 /nfs/dbraw/zinc/06/06/74/178060674.db2.gz CCAXWTBQTCVYIJ-SNVBAGLBSA-N 1 1 211.692 2.779 10 10 BFCEMO CC(C)[N@@H+](CCc1ccc(N)cc1)CC1CC1 ZINC000042562644 188120956 /nfs/dbraw/zinc/12/09/56/188120956.db2.gz MFIHZCHXNRNHJG-UHFFFAOYSA-N 1 1 232.371 2.932 10 10 BFCEMO [NH3+][C@@H](CCF)c1cccc(Br)c1O ZINC000575440495 387135474 /nfs/dbraw/zinc/13/54/74/387135474.db2.gz ZBTJOIJZQLWKTR-QMMMGPOBSA-N 1 1 248.095 2.514 10 10 BFCEMO C[C@@H]1[C@@H](C)CCC[N@H+]1c1ccc(N)cc1 ZINC000060117111 132368838 /nfs/dbraw/zinc/36/88/38/132368838.db2.gz XOWPLTYDDCBUAJ-WDEREUQCSA-N 1 1 204.317 2.894 10 10 BFCEMO C[C@@H]1[C@@H](C)CCC[N@@H+]1c1ccc(N)cc1 ZINC000060117111 132368839 /nfs/dbraw/zinc/36/88/39/132368839.db2.gz XOWPLTYDDCBUAJ-WDEREUQCSA-N 1 1 204.317 2.894 10 10 BFCEMO COCC[N@@H+](Cc1ccc(N)cc1)[C@H](C)C1CC1 ZINC000042613978 174300083 /nfs/dbraw/zinc/30/00/83/174300083.db2.gz VAROXXQNDQXBDO-GFCCVEGCSA-N 1 1 248.370 2.516 10 10 BFCEMO COc1ccc([NH+]2CCCCCC2)cc1N ZINC000032013702 175139116 /nfs/dbraw/zinc/13/91/16/175139116.db2.gz CIQKWPZHUDSPRV-UHFFFAOYSA-N 1 1 220.316 2.658 10 10 BFCEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(N)ccc1O ZINC000042601657 176078971 /nfs/dbraw/zinc/07/89/71/176078971.db2.gz AJBZQPXKRCRLQT-RISCZKNCSA-N 1 1 248.370 2.985 10 10 BFCEMO C[C@@H]1CCC[N@H+]1CCCOc1ccc(N)cc1 ZINC000037909951 176109252 /nfs/dbraw/zinc/10/92/52/176109252.db2.gz FBHYLOHAZWGJIM-GFCCVEGCSA-N 1 1 234.343 2.522 10 10 BFCEMO C[C@H]1CCC[N@@H+](CCOc2ccc(N)cc2)CC1 ZINC000104362033 177100574 /nfs/dbraw/zinc/10/05/74/177100574.db2.gz UBZZFUAIMVQWNK-ZDUSSCGKSA-N 1 1 248.370 2.770 10 10 BFCEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(N)ccc1O ZINC000037272655 177117549 /nfs/dbraw/zinc/11/75/49/177117549.db2.gz XVUIYLZBXYZCSG-PHIMTYICSA-N 1 1 234.343 2.737 10 10 BFCEMO C[C@@H]1C[C@@H](C)CC[N@H+]1CCOc1ccc(N)cc1 ZINC000051729152 177159846 /nfs/dbraw/zinc/15/98/46/177159846.db2.gz PEQPNARGKPUFJY-QWHCGFSZSA-N 1 1 248.370 2.768 10 10 BFCEMO CC(C)C[C@@H]([NH3+])c1cc(F)cc(F)c1O ZINC000757147080 582530575 /nfs/dbraw/zinc/53/05/75/582530575.db2.gz WQCUZDKYRYACIL-SNVBAGLBSA-N 1 1 215.243 2.716 10 10 BFCEMO C[C@@H]([NH2+]Cc1cccc(F)c1O)c1cccnc1 ZINC000161608444 632102637 /nfs/dbraw/zinc/10/26/37/632102637.db2.gz PBMVQNUFHPHGRX-SNVBAGLBSA-N 1 1 246.285 2.777 10 10 BFCEMO C[C@H]([NH2+]Cc1cccc(F)c1O)c1ccccn1 ZINC000161608051 632103354 /nfs/dbraw/zinc/10/33/54/632103354.db2.gz RNDYQVQSSISSKW-JTQLQIEISA-N 1 1 246.285 2.777 10 10 BFCEMO CC1(C)C[C@]1(C)[NH2+]Cc1cccc(F)c1O ZINC000701970226 712033750 /nfs/dbraw/zinc/03/37/50/712033750.db2.gz WOXYCXDDGXPBOH-ZDUSSCGKSA-N 1 1 223.291 2.810 10 10 BFCEMO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(F)c1O ZINC000706499829 712148036 /nfs/dbraw/zinc/14/80/36/712148036.db2.gz SQUMIQJSYUUXKS-AOOOYVTPSA-N 1 1 223.291 2.904 10 10 BFCEMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(F)c1O ZINC000706499829 712148037 /nfs/dbraw/zinc/14/80/37/712148037.db2.gz SQUMIQJSYUUXKS-AOOOYVTPSA-N 1 1 223.291 2.904 10 10 BFCEMO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc(F)c1O ZINC000706499830 712148239 /nfs/dbraw/zinc/14/82/39/712148239.db2.gz SQUMIQJSYUUXKS-NXEZZACHSA-N 1 1 223.291 2.904 10 10 BFCEMO Cc1ccc(CC[NH2+]Cc2cccc(F)c2O)o1 ZINC000709749791 712217674 /nfs/dbraw/zinc/21/76/74/712217674.db2.gz AIPJGUWGFYQQHS-UHFFFAOYSA-N 1 1 249.285 2.765 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]C1(C2CC2)CCC1 ZINC000717830212 712682617 /nfs/dbraw/zinc/68/26/17/712682617.db2.gz PPIHWHZBHZBXNE-UHFFFAOYSA-N 1 1 235.302 2.954 10 10 BFCEMO CC1(CF)CC[NH+](c2ccc(N)cc2)CC1 ZINC000409425966 343820801 /nfs/dbraw/zinc/82/08/01/343820801.db2.gz BOOUDTGYFOHQCN-UHFFFAOYSA-N 1 1 222.307 2.845 10 10 BFCEMO Cc1nc2c(ccc(O)c2C[NH+]2CCCCC2)[nH]1 ZINC000015722381 180063420 /nfs/dbraw/zinc/06/34/20/180063420.db2.gz ZKIIUWAJKUSXNE-UHFFFAOYSA-N 1 1 245.326 2.563 10 10 BFCEMO CC(C)[N@@H+](CC1CC1)c1ccc(N)cc1 ZINC000058989231 188183641 /nfs/dbraw/zinc/18/36/41/188183641.db2.gz JNPVAOLQNXHRDP-UHFFFAOYSA-N 1 1 204.317 2.894 10 10 BFCEMO Oc1c(F)cccc1C[NH2+][C@H]1CC=CCC1 ZINC000165168520 183254702 /nfs/dbraw/zinc/25/47/02/183254702.db2.gz BOIMEEFJHSZUMC-NSHDSACASA-N 1 1 221.275 2.730 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]Cc1ccccc1F ZINC000083380243 183254750 /nfs/dbraw/zinc/25/47/50/183254750.db2.gz KQXLOIWBYPHGIW-UHFFFAOYSA-N 1 1 249.260 2.960 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]Cc1cccs1 ZINC000083364720 183254822 /nfs/dbraw/zinc/25/48/22/183254822.db2.gz ROIQVGJWBVFITC-UHFFFAOYSA-N 1 1 237.299 2.883 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]CC1CCCC1 ZINC000165149230 183255721 /nfs/dbraw/zinc/25/57/21/183255721.db2.gz OYSDWPPAUADJPI-UHFFFAOYSA-N 1 1 223.291 2.811 10 10 BFCEMO Oc1cc(Cl)c(F)cc1[C@H]1CCC[NH2+]1 ZINC000072202115 183257660 /nfs/dbraw/zinc/25/76/60/183257660.db2.gz ACCLRMCQZIFOOZ-SECBINFHSA-N 1 1 215.655 2.609 10 10 BFCEMO CCC[N@H+]1CCC=C(c2ccc(O)c(O)c2)C1 ZINC000033885193 169191327 /nfs/dbraw/zinc/19/13/27/169191327.db2.gz LZLHHGMZVHHARG-UHFFFAOYSA-N 1 1 233.311 2.597 10 10 BFCEMO c1cc([NH+]2CCCCC2)cc2c1NCC2 ZINC000032010103 183369622 /nfs/dbraw/zinc/36/96/22/183369622.db2.gz FIHVVCYRPGYARX-UHFFFAOYSA-N 1 1 202.301 2.645 10 10 BFCEMO C[C@@H]1CCC[N@@H+](CCOc2ccc(N)cc2)[C@@H]1C ZINC000050563142 176098850 /nfs/dbraw/zinc/09/88/50/176098850.db2.gz XZSYVMAMLOSVPP-CHWSQXEVSA-N 1 1 248.370 2.768 10 10 BFCEMO [NH3+][C@H](c1ccccc1)c1cc(F)cc(F)c1O ZINC000757146418 586428727 /nfs/dbraw/zinc/42/87/27/586428727.db2.gz UDRTWLYIPUUKII-GFCCVEGCSA-N 1 1 235.233 2.719 10 10 BFCEMO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C)c2O)o1 ZINC000227556085 640841728 /nfs/dbraw/zinc/84/17/28/640841728.db2.gz QTLAUOPYVMWGNI-NSHDSACASA-N 1 1 246.310 2.848 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000158749863 641647393 /nfs/dbraw/zinc/64/73/93/641647393.db2.gz HQLVIHFIBAYSAO-LLVKDONJSA-N 1 1 235.302 2.977 10 10 BFCEMO C[C@H]1C[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190951938 641896521 /nfs/dbraw/zinc/89/65/21/641896521.db2.gz KZHRPKMYJIFSPR-RCOVLWMOSA-N 1 1 229.682 2.683 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000701935754 712032665 /nfs/dbraw/zinc/03/26/65/712032665.db2.gz IVBXQUQUOLUMAJ-VIFPVBQESA-N 1 1 245.244 2.666 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701935753 712032749 /nfs/dbraw/zinc/03/27/49/712032749.db2.gz IVBXQUQUOLUMAJ-SECBINFHSA-N 1 1 245.244 2.666 10 10 BFCEMO CCC(CC)[N@@H+](C)CCOc1ccc(N)cc1 ZINC000036788402 168369709 /nfs/dbraw/zinc/36/97/09/168369709.db2.gz FGAVUJFIQJTMBL-UHFFFAOYSA-N 1 1 236.359 2.768 10 10 BFCEMO Cc1ccc(F)c(O)c1[C@H]1CCCC[NH2+]1 ZINC000214984311 368137352 /nfs/dbraw/zinc/13/73/52/368137352.db2.gz IFYBRVNAWWSRSN-SNVBAGLBSA-N 1 1 209.264 2.654 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]CC1(C2CC2)CC1 ZINC000226617229 183254010 /nfs/dbraw/zinc/25/40/10/183254010.db2.gz XJWCOHVLXJRTBI-UHFFFAOYSA-N 1 1 235.302 2.811 10 10 BFCEMO Oc1ccc(C[NH2+]Cc2cccc(F)c2O)cc1 ZINC000083376617 183270266 /nfs/dbraw/zinc/27/02/66/183270266.db2.gz VNOILYYOEDCFMB-UHFFFAOYSA-N 1 1 247.269 2.527 10 10 BFCEMO [NH3+][C@H](CCF)c1cccc(Br)c1O ZINC000575440286 387127096 /nfs/dbraw/zinc/12/70/96/387127096.db2.gz ZBTJOIJZQLWKTR-MRVPVSSYSA-N 1 1 248.095 2.514 10 10 BFCEMO CC(C)[C@@H](C)[N@@H+](C)CCOc1ccc(N)cc1 ZINC000036786423 167367403 /nfs/dbraw/zinc/36/74/03/167367403.db2.gz PPTDGVCXHTUCGM-GFCCVEGCSA-N 1 1 236.359 2.624 10 10 BFCEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(N)ccc1O ZINC000042601659 177081224 /nfs/dbraw/zinc/08/12/24/177081224.db2.gz AJBZQPXKRCRLQT-FZMZJTMJSA-N 1 1 248.370 2.985 10 10 BFCEMO C[C@H]([NH2+]Cc1cccc(F)c1O)C1CCC1 ZINC000163179556 633050441 /nfs/dbraw/zinc/05/04/41/633050441.db2.gz UCYHRDASSJPWTC-VIFPVBQESA-N 1 1 223.291 2.810 10 10 BFCEMO CC(C)CC[NH2+]Cc1cccc(F)c1O ZINC000083346652 635239016 /nfs/dbraw/zinc/23/90/16/635239016.db2.gz ZJFIFQFNNDLWER-UHFFFAOYSA-N 1 1 211.280 2.667 10 10 BFCEMO C[C@@H](Cc1ccco1)[NH2+]Cc1cccc(F)c1O ZINC000158702579 641645932 /nfs/dbraw/zinc/64/59/32/641645932.db2.gz VKGPFGQXKFXDSB-JTQLQIEISA-N 1 1 249.285 2.845 10 10 BFCEMO Oc1c(F)cccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000706921296 712160773 /nfs/dbraw/zinc/16/07/73/712160773.db2.gz DSRCKZACMZFIRA-GFCCVEGCSA-N 1 1 235.302 2.954 10 10 BFCEMO Cc1ccc(F)c(O)c1[C@@H]1CCCC[NH2+]1 ZINC000214984264 342924347 /nfs/dbraw/zinc/92/43/47/342924347.db2.gz IFYBRVNAWWSRSN-JTQLQIEISA-N 1 1 209.264 2.654 10 10 BFCEMO Cc1cccc(C[N@H+]2CCS[C@@H](C)C2)c1O ZINC000180041348 179080089 /nfs/dbraw/zinc/08/00/89/179080089.db2.gz QBOTTYODLFPWMP-NSHDSACASA-N 1 1 237.368 2.638 10 10 BFCEMO Oc1cc(F)c(Cl)cc1[C@H]1CCC[NH2+]1 ZINC000072202113 183258982 /nfs/dbraw/zinc/25/89/82/183258982.db2.gz DFHGVLUKQCHJBH-SECBINFHSA-N 1 1 215.655 2.609 10 10 BFCEMO CCC[N@@H+](CCCOC)Cc1ccc(N)cc1 ZINC000037753925 169155041 /nfs/dbraw/zinc/15/50/41/169155041.db2.gz DUWMUEXSYBZHKI-UHFFFAOYSA-N 1 1 236.359 2.517 10 10 BFCEMO CCC1CC[NH+](c2ccc(N)cc2)CC1 ZINC000058666283 132368437 /nfs/dbraw/zinc/36/84/37/132368437.db2.gz TWTYQUDBFCKXOJ-UHFFFAOYSA-N 1 1 204.317 2.895 10 10 BFCEMO CC1(C[NH2+]Cc2cccc(F)c2O)CCC1 ZINC000226614031 168044296 /nfs/dbraw/zinc/04/42/96/168044296.db2.gz MAXZBCMXPPKAQE-UHFFFAOYSA-N 1 1 223.291 2.811 10 10 BFCEMO CC1([NH2+]Cc2cccc(F)c2O)CCCC1 ZINC000165156078 168064430 /nfs/dbraw/zinc/06/44/30/168064430.db2.gz DJKZKSYKIXENHR-UHFFFAOYSA-N 1 1 223.291 2.954 10 10 BFCEMO C[C@@H]1CCC[N@@H+](CCOc2ccc(N)cc2)CC1 ZINC000104362029 176097685 /nfs/dbraw/zinc/09/76/85/176097685.db2.gz UBZZFUAIMVQWNK-CYBMUJFWSA-N 1 1 248.370 2.770 10 10 BFCEMO CCC[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000165147280 640543317 /nfs/dbraw/zinc/54/33/17/640543317.db2.gz HCHBZTATSXHTHN-VIFPVBQESA-N 1 1 211.280 2.810 10 10 BFCEMO CC(C)([NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000226609397 640778919 /nfs/dbraw/zinc/77/89/19/640778919.db2.gz YHZIBNBUYZSKDP-UHFFFAOYSA-N 1 1 223.291 2.810 10 10 BFCEMO CC1([NH2+]Cc2cccc(F)c2O)CC(F)(F)C1 ZINC000720912227 712877919 /nfs/dbraw/zinc/87/79/19/712877919.db2.gz MCDCEEZPQXANPU-UHFFFAOYSA-N 1 1 245.244 2.809 10 10 BFCEMO CSC1CC([NH2+]Cc2cccc(F)c2O)C1 ZINC000708272537 712185066 /nfs/dbraw/zinc/18/50/66/712185066.db2.gz CITCWWQZCRBOJO-UHFFFAOYSA-N 1 1 241.331 2.515 10 10 BFCEMO Nc1ccc([NH+]2CCC(CCF)CC2)cc1 ZINC000224391952 343793200 /nfs/dbraw/zinc/79/32/00/343793200.db2.gz QVTDQRWJORDOLU-UHFFFAOYSA-N 1 1 222.307 2.845 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]CCc1ccccc1 ZINC000083374048 183255142 /nfs/dbraw/zinc/25/51/42/183255142.db2.gz OSUUWJDRXDHMCI-UHFFFAOYSA-N 1 1 245.297 2.864 10 10 BFCEMO CCC[N@@H+](CC)CCCOc1ccc(N)cc1 ZINC000037094366 169121709 /nfs/dbraw/zinc/12/17/09/169121709.db2.gz TUGPKXPMIXDZQA-UHFFFAOYSA-N 1 1 236.359 2.770 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]Cc1ccccc1 ZINC000083358067 183255044 /nfs/dbraw/zinc/25/50/44/183255044.db2.gz RFBFWGCRUOCPKM-UHFFFAOYSA-N 1 1 231.270 2.821 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]C1CCCCC1 ZINC000083352750 183255831 /nfs/dbraw/zinc/25/58/31/183255831.db2.gz LUHJUJUNYWPOLB-UHFFFAOYSA-N 1 1 223.291 2.954 10 10 BFCEMO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(F)cc1O ZINC000062748459 386605432 /nfs/dbraw/zinc/60/54/32/386605432.db2.gz FDQPOMPNJKAXPY-VHSKPIJISA-N 1 1 209.264 2.590 10 10 BFCEMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(N)cc1 ZINC000009239350 176070746 /nfs/dbraw/zinc/07/07/46/176070746.db2.gz MYEMLVONWSWXFF-GFCCVEGCSA-N 1 1 234.343 2.522 10 10 BFCEMO C[C@H]1CCCC[N@H+]1CCOc1ccc(N)cc1 ZINC000009239352 177075304 /nfs/dbraw/zinc/07/53/04/177075304.db2.gz MYEMLVONWSWXFF-LBPRGKRZSA-N 1 1 234.343 2.522 10 10 BFCEMO C[C@H]1CCC[N@@H+](CCCOc2ccc(N)cc2)C1 ZINC000032104052 177097141 /nfs/dbraw/zinc/09/71/41/177097141.db2.gz PCNDYFSRKBIZIT-ZDUSSCGKSA-N 1 1 248.370 2.770 10 10 BFCEMO C[C@@H]([NH2+]Cc1cccc(F)c1O)C1(C)CC1 ZINC000309660082 632623591 /nfs/dbraw/zinc/62/35/91/632623591.db2.gz ASMIMQUBOYKJNF-SECBINFHSA-N 1 1 223.291 2.810 10 10 BFCEMO CC1(C)C[C@@]1(C)[NH2+]Cc1cccc(F)c1O ZINC000701970223 712033656 /nfs/dbraw/zinc/03/36/56/712033656.db2.gz WOXYCXDDGXPBOH-CYBMUJFWSA-N 1 1 223.291 2.810 10 10 BFCEMO CC[C@H]([NH3+])c1cc(C)cc(Br)c1O ZINC000238311236 711889344 /nfs/dbraw/zinc/88/93/44/711889344.db2.gz RFCLKYXZEMZWCZ-VIFPVBQESA-N 1 1 244.132 2.873 10 10 BFCEMO CCC(CC)[N@@H+](C)Cc1ccc(N)cc1 ZINC000034415417 343142546 /nfs/dbraw/zinc/14/25/46/343142546.db2.gz SYMMECGMNPGCBZ-UHFFFAOYSA-N 1 1 206.333 2.889 10 10 BFCEMO COCC1(C)CC[NH+](c2ccc(N)cc2)CC1 ZINC000409436271 343837992 /nfs/dbraw/zinc/83/79/92/343837992.db2.gz YYHJSJZFPHHMLN-UHFFFAOYSA-N 1 1 234.343 2.522 10 10 BFCEMO Cc1ccc[nH+]c1N(C)Cc1ccc(N)cc1 ZINC000051041317 179389577 /nfs/dbraw/zinc/38/95/77/179389577.db2.gz UDUUAFRGAQYWJJ-UHFFFAOYSA-N 1 1 227.311 2.609 10 10 BFCEMO Cc1[nH+]cn(CCCOc2ccc(N)cc2)c1C ZINC000051925958 180286670 /nfs/dbraw/zinc/28/66/70/180286670.db2.gz LNXPKQCMACQHQZ-UHFFFAOYSA-N 1 1 245.326 2.551 10 10 BFCEMO CC[C@H](c1ccccc1O)[N@H+]1CCCO[C@@H](C)C1 ZINC000217863205 134250752 /nfs/dbraw/zinc/25/07/52/134250752.db2.gz ZPXYMBQJHNFFEH-GXTWGEPZSA-N 1 1 249.354 2.954 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]C1CCSCC1 ZINC000163172677 183254581 /nfs/dbraw/zinc/25/45/81/183254581.db2.gz MNFLPCYNSXZNBC-UHFFFAOYSA-N 1 1 241.331 2.517 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]Cc1cccc(F)c1 ZINC000083380247 183255898 /nfs/dbraw/zinc/25/58/98/183255898.db2.gz MCAFVCSLNWVPIH-UHFFFAOYSA-N 1 1 249.260 2.960 10 10 BFCEMO Oc1cc(Cl)c(F)cc1[C@@H]1CCC[NH2+]1 ZINC000072202114 183256797 /nfs/dbraw/zinc/25/67/97/183256797.db2.gz ACCLRMCQZIFOOZ-VIFPVBQESA-N 1 1 215.655 2.609 10 10 BFCEMO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000211637363 387586022 /nfs/dbraw/zinc/58/60/22/387586022.db2.gz HIWBLMCFHPJBIE-MBNYWOFBSA-N 1 1 247.338 2.707 10 10 BFCEMO C[C@@H]1CCCC[N@H+]1CCc1ccc(N)cc1 ZINC000011570435 176070932 /nfs/dbraw/zinc/07/09/32/176070932.db2.gz UCJXEUGMLUYMTA-GFCCVEGCSA-N 1 1 218.344 2.686 10 10 BFCEMO C[C@@H]1CCC[N@@H+](CCc2ccc(N)cc2)C1 ZINC000011570433 176098605 /nfs/dbraw/zinc/09/86/05/176098605.db2.gz AHJKXDIEAYBVMI-GFCCVEGCSA-N 1 1 218.344 2.543 10 10 BFCEMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(N)ccc1O ZINC000042601663 177086592 /nfs/dbraw/zinc/08/65/92/177086592.db2.gz AJBZQPXKRCRLQT-SMDDNHRTSA-N 1 1 248.370 2.985 10 10 BFCEMO Oc1c(F)cccc1C[NH2+]Cc1ccsc1 ZINC000165163126 640541786 /nfs/dbraw/zinc/54/17/86/640541786.db2.gz VNGWSKAKQUYHDJ-UHFFFAOYSA-N 1 1 237.299 2.883 10 10 BFCEMO CC(C)(C)[C@H]([NH3+])c1cc(F)cc(F)c1O ZINC000238172432 642792490 /nfs/dbraw/zinc/79/24/90/642792490.db2.gz GIOZNEZSABIOAJ-SNVBAGLBSA-N 1 1 215.243 2.716 10 10 BFCEMO