smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000471902206 933579381 /nfs/dbraw/zinc/57/93/81/933579381.db2.gz MCVTXFOKNUEBRL-UHFFFAOYSA-N 1 2 373.460 3.672 20 10 FHCDLO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1nnc2n1CCCCC2 ZINC000276978170 934208603 /nfs/dbraw/zinc/20/86/03/934208603.db2.gz VJYIKQVGXXDKOE-FZMZJTMJSA-N 1 2 350.413 3.790 20 10 FHCDLO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)cc1 ZINC001211580585 938250456 /nfs/dbraw/zinc/25/04/56/938250456.db2.gz RYNKARCWPXMYLB-MRXNPFEDSA-N 1 2 358.392 3.856 20 10 FHCDLO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc(Br)cc(F)c1O ZINC000157791687 938432242 /nfs/dbraw/zinc/43/22/42/938432242.db2.gz SYYMTZBIIPJLJW-UAKXVISKSA-N 1 2 358.251 3.902 20 10 FHCDLO COc1ccc(N2CC[NH+]([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000052636362 938458403 /nfs/dbraw/zinc/45/84/03/938458403.db2.gz WMWZLMRQEOSWIG-MRXNPFEDSA-N 1 2 364.449 3.628 20 10 FHCDLO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Br)c(F)cc1O ZINC000756652954 945284412 /nfs/dbraw/zinc/28/44/12/945284412.db2.gz CYDDTMJALDJAFZ-ITIFCUTMSA-N 1 2 358.251 3.902 20 10 FHCDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1O ZINC000177247421 940050757 /nfs/dbraw/zinc/05/07/57/940050757.db2.gz FFSNVYQVOQIJPG-UHFFFAOYSA-N 1 2 355.409 3.829 20 10 FHCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000729247746 941700713 /nfs/dbraw/zinc/70/07/13/941700713.db2.gz OZKBDDYLMWLOPE-UHFFFAOYSA-N 1 2 361.445 3.701 20 10 FHCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2F)c1 ZINC000273373772 942943188 /nfs/dbraw/zinc/94/31/88/942943188.db2.gz GUPPEWFCCOOUQA-BFUOFWGJSA-N 1 2 355.413 3.714 20 10 FHCDLO CN(C)c1ccc(C[N@H+](Cc2nnc(C3CC3)n2C2CC2)C2CC2)cc1 ZINC000272787259 943220897 /nfs/dbraw/zinc/22/08/97/943220897.db2.gz CNXLTZBKGPMCRE-UHFFFAOYSA-N 1 2 351.498 3.721 20 10 FHCDLO CN(C)c1ccc(C[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C2CC2)cc1 ZINC000272787259 943220903 /nfs/dbraw/zinc/22/09/03/943220903.db2.gz CNXLTZBKGPMCRE-UHFFFAOYSA-N 1 2 351.498 3.721 20 10 FHCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(N2CCCNC2=O)cc1 ZINC000291119729 944157740 /nfs/dbraw/zinc/15/77/40/944157740.db2.gz UTEXLXKNDIHFRF-CYBMUJFWSA-N 1 2 359.857 3.816 20 10 FHCDLO CC[N@H+](Cc1cccc(Cl)c1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435148 947188914 /nfs/dbraw/zinc/18/89/14/947188914.db2.gz NKAWKNGKIHXUHD-GFCCVEGCSA-N 1 2 357.845 3.809 20 10 FHCDLO CC[N@@H+](Cc1cccc(Cl)c1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435148 947188923 /nfs/dbraw/zinc/18/89/23/947188923.db2.gz NKAWKNGKIHXUHD-GFCCVEGCSA-N 1 2 357.845 3.809 20 10 FHCDLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C)n1-c1ccccn1 ZINC000066941334 947783988 /nfs/dbraw/zinc/78/39/88/947783988.db2.gz LCVTZHSIKULLAZ-UHFFFAOYSA-N 1 2 371.444 3.605 20 10 FHCDLO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000760041289 948380793 /nfs/dbraw/zinc/38/07/93/948380793.db2.gz OHXZBVSHVVTMLC-UTLVKMTRSA-N 1 2 351.368 3.626 20 10 FHCDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276779293 933365881 /nfs/dbraw/zinc/36/58/81/933365881.db2.gz DCOLMBXIRLDXLR-IBGZPJMESA-N 1 2 370.497 3.757 20 10 FHCDLO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276779293 933365892 /nfs/dbraw/zinc/36/58/92/933365892.db2.gz DCOLMBXIRLDXLR-IBGZPJMESA-N 1 2 370.497 3.757 20 10 FHCDLO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)cc1 ZINC001211580583 938250487 /nfs/dbraw/zinc/25/04/87/938250487.db2.gz RYNKARCWPXMYLB-INIZCTEOSA-N 1 2 358.392 3.856 20 10 FHCDLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(N2CCOCC2)cc1 ZINC000162051397 940995116 /nfs/dbraw/zinc/99/51/16/940995116.db2.gz OAFZTFYLLAWSDB-UHFFFAOYSA-N 1 2 354.429 3.644 20 10 FHCDLO COc1cc([N+](=O)[O-])c(N2CCC(CCCn3cc[nH+]c3)CC2)cc1OC ZINC000782977495 941364792 /nfs/dbraw/zinc/36/47/92/941364792.db2.gz GEUBSFYYIHWHIV-UHFFFAOYSA-N 1 2 374.441 3.505 20 10 FHCDLO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Br)cc(F)c1O ZINC000756405281 942739110 /nfs/dbraw/zinc/73/91/10/942739110.db2.gz ZCRYAJCFBOFZFM-XPTSAGLGSA-N 1 2 368.250 3.756 20 10 FHCDLO O=C(NC1CCCCC1)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271751082 943044368 /nfs/dbraw/zinc/04/43/68/943044368.db2.gz VJPYJZHASILQRI-UHFFFAOYSA-N 1 2 350.890 3.707 20 10 FHCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000123235770 944310329 /nfs/dbraw/zinc/31/03/29/944310329.db2.gz YQYRKJQAVKNZMY-LSDHHAIUSA-N 1 2 358.486 3.616 20 10 FHCDLO COc1ccc(N2CC[NH+](Cc3nsc4ccccc34)CC2)cc1F ZINC001168068618 946512559 /nfs/dbraw/zinc/51/25/59/946512559.db2.gz OWIOCYHJUNEMBJ-UHFFFAOYSA-N 1 2 357.454 3.766 20 10 FHCDLO Cc1ccc(C)n1-c1ccc(-c2noc(CC3=CC[NH2+]CC3(F)F)n2)cc1 ZINC001211899748 946730057 /nfs/dbraw/zinc/73/00/57/946730057.db2.gz JSPPPGJGAVBBOJ-UHFFFAOYSA-N 1 2 370.403 3.852 20 10 FHCDLO Cc1cc(N(C)C)ccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301273937 947263389 /nfs/dbraw/zinc/26/33/89/947263389.db2.gz IGDMLVIHPSUIBZ-UHFFFAOYSA-N 1 2 358.449 3.802 20 10 FHCDLO CN(CCC[NH2+]Cc1cccc(Br)c1O)C(=O)OC(C)(C)C ZINC000105436013 948033239 /nfs/dbraw/zinc/03/32/39/948033239.db2.gz FNUFZEPSYMPMMA-UHFFFAOYSA-N 1 2 373.291 3.501 20 10 FHCDLO CC(C)(C)c1cc(O)c(O)c(CN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000023856245 932260324 /nfs/dbraw/zinc/26/03/24/932260324.db2.gz SWJIABUMBPBJEH-UHFFFAOYSA-N 1 2 360.523 3.775 20 10 FHCDLO COC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)oc1C ZINC000176995844 939032344 /nfs/dbraw/zinc/03/23/44/939032344.db2.gz VXHACDTVBIDKTA-UHFFFAOYSA-N 1 2 365.813 3.568 20 10 FHCDLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)oc1C ZINC000176995844 939032348 /nfs/dbraw/zinc/03/23/48/939032348.db2.gz VXHACDTVBIDKTA-UHFFFAOYSA-N 1 2 365.813 3.568 20 10 FHCDLO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cccc(Cl)c1O ZINC000376901551 941459748 /nfs/dbraw/zinc/45/97/48/941459748.db2.gz FARDVIVRQPPMGF-OWQGQXMQSA-N 1 2 353.890 3.654 20 10 FHCDLO OC[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1OC(F)(F)F ZINC000280175531 942125837 /nfs/dbraw/zinc/12/58/37/942125837.db2.gz GHIGSWDAWSXNQF-CYBMUJFWSA-N 1 2 361.747 3.767 20 10 FHCDLO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1cc(Br)cc(F)c1O ZINC000756361762 942274596 /nfs/dbraw/zinc/27/45/96/942274596.db2.gz HZNAJLKXOKWXQG-JTQLQIEISA-N 1 2 364.218 3.792 20 10 FHCDLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000122884693 942384412 /nfs/dbraw/zinc/38/44/12/942384412.db2.gz KXGWWEZXSJKDBH-ZDUSSCGKSA-N 1 2 351.903 3.792 20 10 FHCDLO CC(C)C[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1O)N(C)C ZINC000756401153 942655090 /nfs/dbraw/zinc/65/50/90/942655090.db2.gz VLIKGJDSKXQIKD-YPMHNXCESA-N 1 2 361.299 3.921 20 10 FHCDLO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Br)cc(F)c1O ZINC000756788536 947013920 /nfs/dbraw/zinc/01/39/20/947013920.db2.gz WAKMKTRUQNZLOL-ZYHUDNBSSA-N 1 2 374.250 3.630 20 10 FHCDLO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1O ZINC000825319064 947154560 /nfs/dbraw/zinc/15/45/60/947154560.db2.gz WMDNPLUPWXLJOV-UHFFFAOYSA-N 1 2 357.845 3.638 20 10 FHCDLO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1O ZINC000825319064 947154565 /nfs/dbraw/zinc/15/45/65/947154565.db2.gz WMDNPLUPWXLJOV-UHFFFAOYSA-N 1 2 357.845 3.638 20 10 FHCDLO CN(c1ccc(CNC(=O)NCCCn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000067003622 948725724 /nfs/dbraw/zinc/72/57/24/948725724.db2.gz RDBLWFZILWXKQI-UHFFFAOYSA-N 1 2 369.513 3.542 20 10 FHCDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161796339 938322434 /nfs/dbraw/zinc/32/24/34/938322434.db2.gz RYYJUPKOODTKHG-UHFFFAOYSA-N 1 2 357.373 3.893 20 10 FHCDLO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cc(F)cc(F)c3O)CCC[C@@H]12 ZINC000708435611 938532913 /nfs/dbraw/zinc/53/29/13/938532913.db2.gz DXLZCCBJVNMUIT-BEFAXECRSA-N 1 2 368.424 3.692 20 10 FHCDLO CCCc1nc(C)c(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)o1 ZINC000894848546 945336353 /nfs/dbraw/zinc/33/63/53/945336353.db2.gz IDPCTJIOFPFHLP-UHFFFAOYSA-N 1 2 373.428 3.643 20 10 FHCDLO COc1ccc(N2CCC[N@H+](Cc3noc(-c4ccsc4)n3)CC2)cc1 ZINC000122141205 941078946 /nfs/dbraw/zinc/07/89/46/941078946.db2.gz CVKLZKJZMYFYDB-UHFFFAOYSA-N 1 2 370.478 3.519 20 10 FHCDLO COc1ccc(N2CCC[N@@H+](Cc3noc(-c4ccsc4)n3)CC2)cc1 ZINC000122141205 941078949 /nfs/dbraw/zinc/07/89/49/941078949.db2.gz CVKLZKJZMYFYDB-UHFFFAOYSA-N 1 2 370.478 3.519 20 10 FHCDLO CCc1cc(C[N@H+](C)Cc2ncnn2CC(F)F)c(O)c(C(C)(C)C)c1 ZINC000782979652 941367272 /nfs/dbraw/zinc/36/72/72/941367272.db2.gz KIUTYPJWDSGFCO-UHFFFAOYSA-N 1 2 366.456 3.741 20 10 FHCDLO CCc1cc(C[N@@H+](C)Cc2ncnn2CC(F)F)c(O)c(C(C)(C)C)c1 ZINC000782979652 941367277 /nfs/dbraw/zinc/36/72/77/941367277.db2.gz KIUTYPJWDSGFCO-UHFFFAOYSA-N 1 2 366.456 3.741 20 10 FHCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000377230634 941577860 /nfs/dbraw/zinc/57/78/60/941577860.db2.gz DJRYDMUZXIEOHO-HNNXBMFYSA-N 1 2 372.831 3.548 20 10 FHCDLO C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(Br)c(F)cc1O ZINC000756412836 942787187 /nfs/dbraw/zinc/78/71/87/942787187.db2.gz AOXJIBMYTYNEEA-VXGBXAGGSA-N 1 2 359.283 3.676 20 10 FHCDLO CN1C(=O)CC[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1c1cccs1 ZINC000378456971 942789205 /nfs/dbraw/zinc/78/92/05/942789205.db2.gz UYGFJBIDXRLNGD-XJKSGUPXSA-N 1 2 350.871 3.559 20 10 FHCDLO COc1cccc2c(N(C)Cc3ccc(N4CCOCC4)cc3)cc[nH+]c12 ZINC000780521844 942897305 /nfs/dbraw/zinc/89/73/05/942897305.db2.gz XOYAPSACIVYIJC-UHFFFAOYSA-N 1 2 363.461 3.716 20 10 FHCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608643 942996061 /nfs/dbraw/zinc/99/60/61/942996061.db2.gz VASUQMVNVKBFSF-STQMWFEESA-N 1 2 367.405 3.641 20 10 FHCDLO COc1cc(C)cc(C[NH2+][C@H](C)c2noc(Cc3ccccc3)n2)c1O ZINC000894323143 944810871 /nfs/dbraw/zinc/81/08/71/944810871.db2.gz IDZSVJVSWPZHPJ-CQSZACIVSA-N 1 2 353.422 3.534 20 10 FHCDLO COc1ccc(N2CCC(Nc3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000110487792 946869273 /nfs/dbraw/zinc/86/92/73/946869273.db2.gz KPAHHOVTVMYREX-UHFFFAOYSA-N 1 2 367.497 3.556 20 10 FHCDLO COc1ccc(O)c([C@@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000301204527 947230963 /nfs/dbraw/zinc/23/09/63/947230963.db2.gz QVJYTNWWBUVPRF-CYBMUJFWSA-N 1 2 361.405 3.703 20 10 FHCDLO COc1ccc(N2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000043564121 136121387 /nfs/dbraw/zinc/12/13/87/136121387.db2.gz VTNXDIKFOFOWHT-UHFFFAOYSA-N 1 2 367.424 3.812 20 10 FHCDLO CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708124933 936152899 /nfs/dbraw/zinc/15/28/99/936152899.db2.gz JXEGXIUKLBJYML-NSHDSACASA-N 1 2 350.684 3.695 20 10 FHCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000378344710 942612926 /nfs/dbraw/zinc/61/29/26/942612926.db2.gz BUJPDKWSTUNIKC-CQSZACIVSA-N 1 2 371.828 3.613 20 10 FHCDLO Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000378344710 942612928 /nfs/dbraw/zinc/61/29/28/942612928.db2.gz BUJPDKWSTUNIKC-CQSZACIVSA-N 1 2 371.828 3.613 20 10 FHCDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)[nH]1 ZINC000273501024 942972768 /nfs/dbraw/zinc/97/27/68/942972768.db2.gz QEECEMCIRSPOBJ-UWVGGRQHSA-N 1 2 353.264 3.808 20 10 FHCDLO Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)nc(C2CCC2)[nH+]1 ZINC000894612774 944318966 /nfs/dbraw/zinc/31/89/66/944318966.db2.gz MNCHAKHJPSYQDY-UHFFFAOYSA-N 1 2 352.482 3.626 20 10 FHCDLO COc1cc(C)cc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)c1O ZINC000894916367 946601965 /nfs/dbraw/zinc/60/19/65/946601965.db2.gz GKNZRBKPTPMQTH-UHFFFAOYSA-N 1 2 373.453 3.741 20 10 FHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000365404299 568623136 /nfs/dbraw/zinc/62/31/36/568623136.db2.gz QMHJCTBVRQDHHN-KRWDZBQOSA-N 1 2 368.525 3.753 20 10 FHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000365404299 568623137 /nfs/dbraw/zinc/62/31/37/568623137.db2.gz QMHJCTBVRQDHHN-KRWDZBQOSA-N 1 2 368.525 3.753 20 10 FHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)Nc1cccc(F)c1 ZINC000070975444 932021910 /nfs/dbraw/zinc/02/19/10/932021910.db2.gz RFURNPUMTCQOMF-UHFFFAOYSA-N 1 2 354.381 3.765 20 10 FHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)Nc1cccc(F)c1 ZINC000070975444 932021919 /nfs/dbraw/zinc/02/19/19/932021919.db2.gz RFURNPUMTCQOMF-UHFFFAOYSA-N 1 2 354.381 3.765 20 10 FHCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000101591907 932985259 /nfs/dbraw/zinc/98/52/59/932985259.db2.gz QPIJXOZFWPITKJ-CQSZACIVSA-N 1 2 361.283 3.771 20 10 FHCDLO COc1ccc(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)c(O)c1OC ZINC000892155814 935148759 /nfs/dbraw/zinc/14/87/59/935148759.db2.gz ACIRQQOEXVBKRS-UHFFFAOYSA-N 1 2 362.373 3.517 20 10 FHCDLO COc1ccc(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c(O)c1OC ZINC000892155814 935148764 /nfs/dbraw/zinc/14/87/64/935148764.db2.gz ACIRQQOEXVBKRS-UHFFFAOYSA-N 1 2 362.373 3.517 20 10 FHCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000472240492 935924353 /nfs/dbraw/zinc/92/43/53/935924353.db2.gz NWMYHVCRSLFDQR-UHFFFAOYSA-N 1 2 365.481 3.573 20 10 FHCDLO Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1c[nH+]c2ccc(C)cn12 ZINC000151390176 938538159 /nfs/dbraw/zinc/53/81/59/938538159.db2.gz SVWRCUJMTOAYDO-RIYZIHGNSA-N 1 2 362.458 3.975 20 10 FHCDLO Cc1ccnc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3O)CC2)c1 ZINC000378440368 942767440 /nfs/dbraw/zinc/76/74/40/942767440.db2.gz BCTYWVZBXZVFOW-UHFFFAOYSA-N 1 2 359.857 3.600 20 10 FHCDLO C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(Br)c(F)cc1O ZINC000756412831 942795754 /nfs/dbraw/zinc/79/57/54/942795754.db2.gz AOXJIBMYTYNEEA-NWDGAFQWSA-N 1 2 359.283 3.676 20 10 FHCDLO C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273477791 942967016 /nfs/dbraw/zinc/96/70/16/942967016.db2.gz LDXKIIXJJKDARH-CABCVRRESA-N 1 2 370.453 3.572 20 10 FHCDLO CCCCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000123236868 944310062 /nfs/dbraw/zinc/31/00/62/944310062.db2.gz NVHMCCLAADHDPD-CVEARBPZSA-N 1 2 358.486 3.661 20 10 FHCDLO Oc1c(F)cc(F)cc1C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000897265022 947070212 /nfs/dbraw/zinc/07/02/12/947070212.db2.gz SOFGASKGNIZQOA-KRWDZBQOSA-N 1 2 361.388 3.521 20 10 FHCDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000781986300 947574460 /nfs/dbraw/zinc/57/44/60/947574460.db2.gz URXDTESJWKQRFA-OAHLLOKOSA-N 1 2 365.779 3.792 20 10 FHCDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000781986300 947574471 /nfs/dbraw/zinc/57/44/71/947574471.db2.gz URXDTESJWKQRFA-OAHLLOKOSA-N 1 2 365.779 3.792 20 10 FHCDLO Oc1c(Cl)cccc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826510896 608590193 /nfs/dbraw/zinc/59/01/93/608590193.db2.gz QKTMPNYEFPMVJQ-UHFFFAOYSA-N 1 2 367.840 3.515 20 10 FHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826510896 608590195 /nfs/dbraw/zinc/59/01/95/608590195.db2.gz QKTMPNYEFPMVJQ-UHFFFAOYSA-N 1 2 367.840 3.515 20 10 FHCDLO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756637994 945090604 /nfs/dbraw/zinc/09/06/04/945090604.db2.gz PRPWWGRMVHXWPF-MEDUHNTESA-N 1 2 368.246 3.986 20 10 FHCDLO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cc(F)cc(F)c3O)CCC[C@H]12 ZINC000708435614 938532769 /nfs/dbraw/zinc/53/27/69/938532769.db2.gz DXLZCCBJVNMUIT-KXBFYZLASA-N 1 2 368.424 3.692 20 10 FHCDLO CCCN(Cc1ccccc1O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000066698689 941226503 /nfs/dbraw/zinc/22/65/03/941226503.db2.gz MRMFLPLJQWZTJF-UHFFFAOYSA-N 1 2 368.481 3.509 20 10 FHCDLO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(Cl)c1O ZINC000376901562 941459939 /nfs/dbraw/zinc/45/99/39/941459939.db2.gz FARDVIVRQPPMGF-QANKJYHBSA-N 1 2 353.890 3.654 20 10 FHCDLO CC[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C)cc1O ZINC000280263927 942145943 /nfs/dbraw/zinc/14/59/43/942145943.db2.gz XKGNKYYDWUKEEW-KRWDZBQOSA-N 1 2 352.438 3.639 20 10 FHCDLO COc1ccc(N2CCN(c3cc[nH+]c4c(OC)cccc34)CC2)cc1F ZINC000302494105 946235521 /nfs/dbraw/zinc/23/55/21/946235521.db2.gz AWJFDLQNRWUVHD-UHFFFAOYSA-N 1 2 367.424 3.718 20 10 FHCDLO Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1-c1ccc(F)cc1 ZINC000728541242 937079815 /nfs/dbraw/zinc/07/98/15/937079815.db2.gz FSUKUDKOEANTLR-IBGZPJMESA-N 1 2 366.440 3.907 20 10 FHCDLO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708210576 937163073 /nfs/dbraw/zinc/16/30/73/937163073.db2.gz FYMCFQUHGSRYFX-CYBMUJFWSA-N 1 2 361.711 3.724 20 10 FHCDLO CCS[C@@H](C)c1noc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)n1 ZINC000160446467 930410157 /nfs/dbraw/zinc/41/01/57/930410157.db2.gz GQRAIGHPYVIQGC-LBPRGKRZSA-N 1 2 351.472 3.538 20 10 FHCDLO CCS[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(OC)c(C)cc2O)n1 ZINC000160446467 930410159 /nfs/dbraw/zinc/41/01/59/930410159.db2.gz GQRAIGHPYVIQGC-LBPRGKRZSA-N 1 2 351.472 3.538 20 10 FHCDLO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Br)cc(F)c1O ZINC000134792049 934095954 /nfs/dbraw/zinc/09/59/54/934095954.db2.gz PNJHWSYPSDQZKY-NAMSACQYSA-N 1 2 370.262 3.902 20 10 FHCDLO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756637993 945089368 /nfs/dbraw/zinc/08/93/68/945089368.db2.gz PRPWWGRMVHXWPF-BZNIZROVSA-N 1 2 368.246 3.986 20 10 FHCDLO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Br)cc(Cl)c1O ZINC000756383074 942473672 /nfs/dbraw/zinc/47/36/72/942473672.db2.gz VOQQODMJIMCJQO-QPUJVOFHSA-N 1 2 360.635 3.785 20 10 FHCDLO Cc1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)cs1 ZINC000126556821 944038751 /nfs/dbraw/zinc/03/87/51/944038751.db2.gz GLHNWZGCJSPJGN-GFCCVEGCSA-N 1 2 351.903 3.792 20 10 FHCDLO Cc1ccc([C@H]([NH2+]Cc2cccc(Cl)c2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280789905 945504517 /nfs/dbraw/zinc/50/45/17/945504517.db2.gz QWGMJYVVWZJFNQ-SUMWQHHRSA-N 1 2 367.898 3.618 20 10 FHCDLO Cc1nc(N(Cc2ccccc2O)C[C@H]2CCCO2)c2c([nH+]1)CCCC2 ZINC000302119673 946130182 /nfs/dbraw/zinc/13/01/82/946130182.db2.gz XNEGAUAFNHKTEI-QGZVFWFLSA-N 1 2 353.466 3.555 20 10 FHCDLO Oc1c(Cl)cccc1C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000897265644 947072588 /nfs/dbraw/zinc/07/25/88/947072588.db2.gz LZSQOOUIYXBKFP-QGZVFWFLSA-N 1 2 359.853 3.896 20 10 FHCDLO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000190071525 948048164 /nfs/dbraw/zinc/04/81/64/948048164.db2.gz RTMAEALSBNBECA-UHFFFAOYSA-N 1 2 352.862 3.702 20 10 FHCDLO C[C@H](c1ccco1)[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000179000615 948565162 /nfs/dbraw/zinc/56/51/62/948565162.db2.gz IXTKYZWXAMFEMR-MRXNPFEDSA-N 1 2 355.482 3.530 20 10 FHCDLO C[C@H](c1ccco1)[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000179000615 948565168 /nfs/dbraw/zinc/56/51/68/948565168.db2.gz IXTKYZWXAMFEMR-MRXNPFEDSA-N 1 2 355.482 3.530 20 10 FHCDLO CCN(CC)c1ccc(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000141631009 948801125 /nfs/dbraw/zinc/80/11/25/948801125.db2.gz BVVSUVIRFATDGB-UHFFFAOYSA-N 1 2 370.497 3.553 20 10 FHCDLO Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1-c1ccc(F)cc1 ZINC000728541246 937079736 /nfs/dbraw/zinc/07/97/36/937079736.db2.gz FSUKUDKOEANTLR-LJQANCHMSA-N 1 2 366.440 3.907 20 10 FHCDLO Cc1cccn2c(/C=C3\CCn4c3nc3cc(Cl)ccc3c4=O)c[nH+]c12 ZINC000581103908 931570620 /nfs/dbraw/zinc/57/06/20/931570620.db2.gz ZDOQBRZLAODZML-UKTHLTGXSA-N 1 2 362.820 3.950 20 10 FHCDLO CC[C@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(Cl)c1O ZINC000834883808 932174024 /nfs/dbraw/zinc/17/40/24/932174024.db2.gz HROPKOALBRSNES-LBPRGKRZSA-N 1 2 358.667 3.783 20 10 FHCDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)[C@H]1C ZINC000255329769 932340499 /nfs/dbraw/zinc/34/04/99/932340499.db2.gz ARKGQHULCPSJGY-UWVAXJGDSA-N 1 2 370.493 3.928 20 10 FHCDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)[C@H]1C ZINC000255329769 932340508 /nfs/dbraw/zinc/34/05/08/932340508.db2.gz ARKGQHULCPSJGY-UWVAXJGDSA-N 1 2 370.493 3.928 20 10 FHCDLO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000382454203 933102235 /nfs/dbraw/zinc/10/22/35/933102235.db2.gz IASHFCKTMLCDQD-JSGCOSHPSA-N 1 2 354.878 3.829 20 10 FHCDLO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1nnc2n1CCCCC2 ZINC000276978176 934209082 /nfs/dbraw/zinc/20/90/82/934209082.db2.gz VJYIKQVGXXDKOE-SMDDNHRTSA-N 1 2 350.413 3.790 20 10 FHCDLO CCCN(Cc1ccccc1O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000066702105 941231816 /nfs/dbraw/zinc/23/18/16/941231816.db2.gz IMRIBZIZVDYQHM-UHFFFAOYSA-N 1 2 357.454 3.534 20 10 FHCDLO COC(=O)CC1([NH2+]Cc2cccc(Br)c2O)CCCCC1 ZINC000756133472 941379719 /nfs/dbraw/zinc/37/97/19/941379719.db2.gz ZBZZKOZOVUBIQL-UHFFFAOYSA-N 1 2 356.260 3.510 20 10 FHCDLO C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(Br)c(F)cc1O ZINC000756412834 942787747 /nfs/dbraw/zinc/78/77/47/942787747.db2.gz AOXJIBMYTYNEEA-RYUDHWBXSA-N 1 2 359.283 3.676 20 10 FHCDLO CCn1cc(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2O)cn1 ZINC000756731820 946214025 /nfs/dbraw/zinc/21/40/25/946214025.db2.gz DNWJFLMCMUILHX-VIFPVBQESA-N 1 2 358.667 3.875 20 10 FHCDLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCN1C(=O)OC(C)(C)C ZINC000310052972 946237001 /nfs/dbraw/zinc/23/70/01/946237001.db2.gz IWLVXUNAVSRHEC-JSGCOSHPSA-N 1 2 354.878 3.923 20 10 FHCDLO C[C@@H](c1ccco1)[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000179000600 948564814 /nfs/dbraw/zinc/56/48/14/948564814.db2.gz IXTKYZWXAMFEMR-INIZCTEOSA-N 1 2 355.482 3.530 20 10 FHCDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000179000600 948564823 /nfs/dbraw/zinc/56/48/23/948564823.db2.gz IXTKYZWXAMFEMR-INIZCTEOSA-N 1 2 355.482 3.530 20 10 FHCDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c(O)c1C ZINC000274656353 927372831 /nfs/dbraw/zinc/37/28/31/927372831.db2.gz UNFNMKKVVDQQHD-OAHLLOKOSA-N 1 2 352.438 3.557 20 10 FHCDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255170962 930271758 /nfs/dbraw/zinc/27/17/58/930271758.db2.gz RIJVPSNUDGVWSX-UHFFFAOYSA-N 1 2 367.453 3.898 20 10 FHCDLO C[C@H]([NH2+]CC1(CF)CCOCC1)c1cc(Br)c(F)cc1O ZINC000834886916 932209010 /nfs/dbraw/zinc/20/90/10/932209010.db2.gz WGIJILYDNRJZAW-JTQLQIEISA-N 1 2 364.230 3.711 20 10 FHCDLO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000382454199 933101344 /nfs/dbraw/zinc/10/13/44/933101344.db2.gz IASHFCKTMLCDQD-GXTWGEPZSA-N 1 2 354.878 3.829 20 10 FHCDLO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1nnc2n1CCCCC2 ZINC000276978173 934208887 /nfs/dbraw/zinc/20/88/87/934208887.db2.gz VJYIKQVGXXDKOE-RISCZKNCSA-N 1 2 350.413 3.790 20 10 FHCDLO [NH3+]CCN(Cc1ccccc1)Cc1cc(Cl)cc(Br)c1O ZINC000708125010 936152816 /nfs/dbraw/zinc/15/28/16/936152816.db2.gz LEZQYONCHRWHHO-UHFFFAOYSA-N 1 2 369.690 3.769 20 10 FHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)CCc3c[nH]c[nH+]3)cc2Cl)C1 ZINC000282070533 941858909 /nfs/dbraw/zinc/85/89/09/941858909.db2.gz NAPVPTVABQXTCI-AWEZNQCLSA-N 1 2 360.889 3.548 20 10 FHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)CCc3c[nH+]c[nH]3)cc2Cl)C1 ZINC000282070533 941858915 /nfs/dbraw/zinc/85/89/15/941858915.db2.gz NAPVPTVABQXTCI-AWEZNQCLSA-N 1 2 360.889 3.548 20 10 FHCDLO CC[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C)cc1O ZINC000280263931 942146333 /nfs/dbraw/zinc/14/63/33/942146333.db2.gz XKGNKYYDWUKEEW-QGZVFWFLSA-N 1 2 352.438 3.639 20 10 FHCDLO COCCc1noc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000179647393 942264256 /nfs/dbraw/zinc/26/42/56/942264256.db2.gz ILAMAPOYNLSHGX-INIZCTEOSA-N 1 2 367.449 3.728 20 10 FHCDLO COCCc1noc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000179647393 942264259 /nfs/dbraw/zinc/26/42/59/942264259.db2.gz ILAMAPOYNLSHGX-INIZCTEOSA-N 1 2 367.449 3.728 20 10 FHCDLO CCCCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000123236444 944309821 /nfs/dbraw/zinc/30/98/21/944309821.db2.gz NVHMCCLAADHDPD-HOTGVXAUSA-N 1 2 358.486 3.661 20 10 FHCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCN1C(=O)OC(C)(C)C ZINC000310052973 946237290 /nfs/dbraw/zinc/23/72/90/946237290.db2.gz IWLVXUNAVSRHEC-OCCSQVGLSA-N 1 2 354.878 3.923 20 10 FHCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000894982729 946758860 /nfs/dbraw/zinc/75/88/60/946758860.db2.gz IBOPRNLKWDQPGR-AWEZNQCLSA-N 1 2 365.342 3.851 20 10 FHCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000894982729 946758871 /nfs/dbraw/zinc/75/88/71/946758871.db2.gz IBOPRNLKWDQPGR-AWEZNQCLSA-N 1 2 365.342 3.851 20 10 FHCDLO C1=CCN(c2ccc(CNc3[nH+]cnc4c3cnn4-c3ccccc3)cc2)C1 ZINC000301353741 947303678 /nfs/dbraw/zinc/30/36/78/947303678.db2.gz MHFKRDPPUFMCPN-UHFFFAOYSA-N 1 2 368.444 3.804 20 10 FHCDLO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1O ZINC000824292912 608580127 /nfs/dbraw/zinc/58/01/27/608580127.db2.gz DIRMMMXKMXVRTE-UHFFFAOYSA-N 1 2 357.845 3.636 20 10 FHCDLO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1O ZINC000824292912 608580129 /nfs/dbraw/zinc/58/01/29/608580129.db2.gz DIRMMMXKMXVRTE-UHFFFAOYSA-N 1 2 357.845 3.636 20 10 FHCDLO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(Br)c1O ZINC000048797102 935710055 /nfs/dbraw/zinc/71/00/55/935710055.db2.gz APXXFONNVFRTIG-CQSZACIVSA-N 1 2 352.276 3.556 20 10 FHCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000052636361 938458476 /nfs/dbraw/zinc/45/84/76/938458476.db2.gz WMWZLMRQEOSWIG-INIZCTEOSA-N 1 2 364.449 3.628 20 10 FHCDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C2 ZINC000177040437 939104759 /nfs/dbraw/zinc/10/47/59/939104759.db2.gz YFZBAJVVXQDCSZ-UHFFFAOYSA-N 1 2 372.852 3.765 20 10 FHCDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C2 ZINC000177040437 939104761 /nfs/dbraw/zinc/10/47/61/939104761.db2.gz YFZBAJVVXQDCSZ-UHFFFAOYSA-N 1 2 372.852 3.765 20 10 FHCDLO Cc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1-c1ccccn1 ZINC000729339980 941723318 /nfs/dbraw/zinc/72/33/18/941723318.db2.gz FNTBKELMXFPRAL-GOSISDBHSA-N 1 2 365.481 3.530 20 10 FHCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Br)cc(F)c1O ZINC000756404002 942671928 /nfs/dbraw/zinc/67/19/28/942671928.db2.gz ZXNSPDMFPRTWDA-SNVBAGLBSA-N 1 2 368.250 3.606 20 10 FHCDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378399383 942718938 /nfs/dbraw/zinc/71/89/38/942718938.db2.gz FVGXCBWLERAAHC-UHFFFAOYSA-N 1 2 368.872 3.923 20 10 FHCDLO c1csc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc2)n1 ZINC000236706202 945013112 /nfs/dbraw/zinc/01/31/12/945013112.db2.gz QOSGLVSZZQROKG-FQEVSTJZSA-N 1 2 365.502 3.859 20 10 FHCDLO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Br)cc(F)c1O ZINC000756788535 947013708 /nfs/dbraw/zinc/01/37/08/947013708.db2.gz WAKMKTRUQNZLOL-PWSUYJOCSA-N 1 2 374.250 3.630 20 10 FHCDLO CCS[C@H](C)c1noc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)n1 ZINC000160446609 930410239 /nfs/dbraw/zinc/41/02/39/930410239.db2.gz GQRAIGHPYVIQGC-GFCCVEGCSA-N 1 2 351.472 3.538 20 10 FHCDLO CCS[C@H](C)c1noc(C[N@@H+](C)Cc2cc(OC)c(C)cc2O)n1 ZINC000160446609 930410242 /nfs/dbraw/zinc/41/02/42/930410242.db2.gz GQRAIGHPYVIQGC-GFCCVEGCSA-N 1 2 351.472 3.538 20 10 FHCDLO CN(c1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1)C1CCCCC1 ZINC000156282859 937425478 /nfs/dbraw/zinc/42/54/78/937425478.db2.gz GBRAFXMQRYTBPR-SFHVURJKSA-N 1 2 366.509 3.531 20 10 FHCDLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000834895403 932225557 /nfs/dbraw/zinc/22/55/57/932225557.db2.gz PKRFQCVAJJPQCS-VHSXEESVSA-N 1 2 356.239 3.922 20 10 FHCDLO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)[C@H]1C ZINC000255329766 932340886 /nfs/dbraw/zinc/34/08/86/932340886.db2.gz ARKGQHULCPSJGY-FUHIMQAGSA-N 1 2 370.493 3.928 20 10 FHCDLO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)[C@H]1C ZINC000255329766 932340893 /nfs/dbraw/zinc/34/08/93/932340893.db2.gz ARKGQHULCPSJGY-FUHIMQAGSA-N 1 2 370.493 3.928 20 10 FHCDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)c(O)c1OC ZINC000891928756 934071197 /nfs/dbraw/zinc/07/11/97/934071197.db2.gz IQIPCEZGOYPBEH-KRWDZBQOSA-N 1 2 363.841 3.636 20 10 FHCDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)c(O)c1OC ZINC000891928756 934071203 /nfs/dbraw/zinc/07/12/03/934071203.db2.gz IQIPCEZGOYPBEH-KRWDZBQOSA-N 1 2 363.841 3.636 20 10 FHCDLO COc1ccc(N2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)cc1 ZINC000158277240 935677948 /nfs/dbraw/zinc/67/79/48/935677948.db2.gz UMEBLRKVOYVLMQ-UHFFFAOYSA-N 1 2 367.424 3.812 20 10 FHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000179518703 939877286 /nfs/dbraw/zinc/87/72/86/939877286.db2.gz KNZIHXSJBQPUDS-ZDUSSCGKSA-N 1 2 374.872 3.623 20 10 FHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000179518703 939877290 /nfs/dbraw/zinc/87/72/90/939877290.db2.gz KNZIHXSJBQPUDS-ZDUSSCGKSA-N 1 2 374.872 3.623 20 10 FHCDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000377013752 941492891 /nfs/dbraw/zinc/49/28/91/941492891.db2.gz PPZGWVRMGKJBLB-NSHDSACASA-N 1 2 359.813 3.955 20 10 FHCDLO Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000378438743 942772450 /nfs/dbraw/zinc/77/24/50/942772450.db2.gz KVWZZRFRBBBFKZ-OAHLLOKOSA-N 1 2 359.857 3.600 20 10 FHCDLO Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000378438743 942772453 /nfs/dbraw/zinc/77/24/53/942772453.db2.gz KVWZZRFRBBBFKZ-OAHLLOKOSA-N 1 2 359.857 3.600 20 10 FHCDLO COc1cc(Cl)cc(C[NH2+]C2(c3noc(C)n3)CCCCC2)c1O ZINC000273718624 943020333 /nfs/dbraw/zinc/02/03/33/943020333.db2.gz HQJCDCYJXXORGD-UHFFFAOYSA-N 1 2 351.834 3.695 20 10 FHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711429859 943564928 /nfs/dbraw/zinc/56/49/28/943564928.db2.gz BCRLJGKNJLZPNH-GFCCVEGCSA-N 1 2 360.679 3.999 20 10 FHCDLO CC1CCN(c2ccc(CNc3cc(N4CCCC4)nc[nH+]3)cc2)CC1 ZINC000302879578 946364902 /nfs/dbraw/zinc/36/49/02/946364902.db2.gz HBCIRWVLSRNQLM-UHFFFAOYSA-N 1 2 351.498 3.925 20 10 FHCDLO CC1CCN(c2ccc(CNc3cc(N4CCCC4)[nH+]cn3)cc2)CC1 ZINC000302879578 946364909 /nfs/dbraw/zinc/36/49/09/946364909.db2.gz HBCIRWVLSRNQLM-UHFFFAOYSA-N 1 2 351.498 3.925 20 10 FHCDLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000896961977 946373494 /nfs/dbraw/zinc/37/34/94/946373494.db2.gz QFWBDUUJAJJXGZ-UHFFFAOYSA-N 1 2 365.779 3.753 20 10 FHCDLO CCN(C(C)=O)c1nc(C[NH2+]Cc2c(C)c3ccccc3n2C)cs1 ZINC000475192607 946661067 /nfs/dbraw/zinc/66/10/67/946661067.db2.gz RRDKCTMUBPIHFU-UHFFFAOYSA-N 1 2 356.495 3.606 20 10 FHCDLO CN(C)c1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1F ZINC000301124421 947190290 /nfs/dbraw/zinc/19/02/90/947190290.db2.gz SFYZLHQAQOCFMB-UHFFFAOYSA-N 1 2 362.412 3.633 20 10 FHCDLO Oc1c(Br)cccc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000317466480 948201653 /nfs/dbraw/zinc/20/16/53/948201653.db2.gz YUMNQOBGGJDWRF-UHFFFAOYSA-N 1 2 365.246 3.616 20 10 FHCDLO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000021581844 948747815 /nfs/dbraw/zinc/74/78/15/948747815.db2.gz QSXVDZXXMPIMBM-UHFFFAOYSA-N 1 2 364.848 3.526 20 10 FHCDLO COc1ccc(N2CC[NH+]([C@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000072710816 132376792 /nfs/dbraw/zinc/37/67/92/132376792.db2.gz YPRCLSJYWBGBAP-MRXNPFEDSA-N 1 2 364.449 3.628 20 10 FHCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000078969212 929850728 /nfs/dbraw/zinc/85/07/28/929850728.db2.gz DSIROUQZFOKRMT-UHFFFAOYSA-N 1 2 352.265 3.853 20 10 FHCDLO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Br)c(F)cc1O ZINC000134787833 934108851 /nfs/dbraw/zinc/10/88/51/934108851.db2.gz CXOUHRYINUMWGK-KTCLOZQLSA-N 1 2 370.262 3.902 20 10 FHCDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(Br)c(F)cc1O ZINC000756652960 945284131 /nfs/dbraw/zinc/28/41/31/945284131.db2.gz CYDDTMJALDJAFZ-ZOFFQFKGSA-N 1 2 358.251 3.902 20 10 FHCDLO Oc1c(Br)cccc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000119898661 941905897 /nfs/dbraw/zinc/90/58/97/941905897.db2.gz ISIBQLIYRDIDJF-UHFFFAOYSA-N 1 2 367.312 3.534 20 10 FHCDLO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Br)cc(F)c1O ZINC000756405280 942739440 /nfs/dbraw/zinc/73/94/40/942739440.db2.gz ZCRYAJCFBOFZFM-OTYXRUKQSA-N 1 2 368.250 3.756 20 10 FHCDLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000123235359 944310194 /nfs/dbraw/zinc/31/01/94/944310194.db2.gz YQYRKJQAVKNZMY-GJZGRUSLSA-N 1 2 358.486 3.616 20 10 FHCDLO CCOC1CC2(C1)CC[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC000894752065 944552462 /nfs/dbraw/zinc/55/24/62/944552462.db2.gz GWJRBXRUFFLVOG-UHFFFAOYSA-N 1 2 358.251 3.685 20 10 FHCDLO CCOC1CC2(C1)CC[N@@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC000894752065 944552465 /nfs/dbraw/zinc/55/24/65/944552465.db2.gz GWJRBXRUFFLVOG-UHFFFAOYSA-N 1 2 358.251 3.685 20 10 FHCDLO c1cc(N2CCSCC2)ccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000110232870 946853269 /nfs/dbraw/zinc/85/32/69/946853269.db2.gz JQNWRGRUSVVSMT-UHFFFAOYSA-N 1 2 369.538 3.632 20 10 FHCDLO c1cc(N2CCSCC2)ccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000110232870 946853278 /nfs/dbraw/zinc/85/32/78/946853278.db2.gz JQNWRGRUSVVSMT-UHFFFAOYSA-N 1 2 369.538 3.632 20 10 FHCDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3c(O)cccc3Cl)CC2)c1 ZINC000127124950 947084354 /nfs/dbraw/zinc/08/43/54/947084354.db2.gz PEQNEVKOZKBDRO-UHFFFAOYSA-N 1 2 359.857 3.704 20 10 FHCDLO C[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141367437 947706059 /nfs/dbraw/zinc/70/60/59/947706059.db2.gz AAGVYBHZFCYTKD-OAHLLOKOSA-N 1 2 362.695 3.793 20 10 FHCDLO C[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141367437 947706072 /nfs/dbraw/zinc/70/60/72/947706072.db2.gz AAGVYBHZFCYTKD-OAHLLOKOSA-N 1 2 362.695 3.793 20 10 FHCDLO CCN(CC[NH+](CC)CC)Cc1cc(Cl)cc(Br)c1O ZINC001141373231 947823710 /nfs/dbraw/zinc/82/37/10/947823710.db2.gz SQRWDQUNTALDAL-UHFFFAOYSA-N 1 2 363.727 3.972 20 10 FHCDLO CC[N@H+](C)C1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141374392 947848859 /nfs/dbraw/zinc/84/88/59/947848859.db2.gz HFBMPAIIXSXZNN-UHFFFAOYSA-N 1 2 361.711 3.724 20 10 FHCDLO CC[N@@H+](C)C1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141374392 947848869 /nfs/dbraw/zinc/84/88/69/947848869.db2.gz HFBMPAIIXSXZNN-UHFFFAOYSA-N 1 2 361.711 3.724 20 10 FHCDLO C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccc(F)c(F)c1O ZINC000276205868 932050094 /nfs/dbraw/zinc/05/00/94/932050094.db2.gz OKWTYEJGFPCQQZ-QMMMGPOBSA-N 1 2 372.297 3.583 20 10 FHCDLO C[C@@H]([NH2+]CC1(CF)CCOCC1)c1cc(Br)c(F)cc1O ZINC000834886917 932209395 /nfs/dbraw/zinc/20/93/95/932209395.db2.gz WGIJILYDNRJZAW-SNVBAGLBSA-N 1 2 364.230 3.711 20 10 FHCDLO CC[N@H+](Cc1nc(C2CCC2)no1)Cc1cc(Br)ccc1O ZINC001167513825 935077842 /nfs/dbraw/zinc/07/78/42/935077842.db2.gz XVJRVLXILQVJIB-UHFFFAOYSA-N 1 2 366.259 3.827 20 10 FHCDLO CC[N@@H+](Cc1nc(C2CCC2)no1)Cc1cc(Br)ccc1O ZINC001167513825 935077849 /nfs/dbraw/zinc/07/78/49/935077849.db2.gz XVJRVLXILQVJIB-UHFFFAOYSA-N 1 2 366.259 3.827 20 10 FHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000177783766 940435286 /nfs/dbraw/zinc/43/52/86/940435286.db2.gz OMHYGSJJICDZJQ-YLJYHZDGSA-N 1 2 369.513 3.522 20 10 FHCDLO COc1ccc(O)c(C[NH2+][C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000377701060 941911336 /nfs/dbraw/zinc/91/13/36/941911336.db2.gz NJCPCQDLPJSAQR-LLVKDONJSA-N 1 2 359.813 3.955 20 10 FHCDLO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Br)cc(F)c1O ZINC000756405282 942740102 /nfs/dbraw/zinc/74/01/02/942740102.db2.gz ZCRYAJCFBOFZFM-YMTOWFKASA-N 1 2 368.250 3.756 20 10 FHCDLO C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(Br)c(F)cc1O ZINC000756412830 942785431 /nfs/dbraw/zinc/78/54/31/942785431.db2.gz AOXJIBMYTYNEEA-NEPJUHHUSA-N 1 2 359.283 3.676 20 10 FHCDLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)[nH]1 ZINC000273501027 942972603 /nfs/dbraw/zinc/97/26/03/942972603.db2.gz QEECEMCIRSPOBJ-VHSXEESVSA-N 1 2 353.264 3.808 20 10 FHCDLO Cc1ccc([C@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280789887 945503921 /nfs/dbraw/zinc/50/39/21/945503921.db2.gz QWGMJYVVWZJFNQ-CXAGYDPISA-N 1 2 367.898 3.618 20 10 FHCDLO Cc1cccn2c(/C=C3/CCn4c3nc3cc(Cl)ccc3c4=O)c[nH+]c12 ZINC000125299734 945705226 /nfs/dbraw/zinc/70/52/26/945705226.db2.gz ZDOQBRZLAODZML-LCYFTJDESA-N 1 2 362.820 3.950 20 10 FHCDLO COc1ccc(O)c([C@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000301204528 947230755 /nfs/dbraw/zinc/23/07/55/947230755.db2.gz QVJYTNWWBUVPRF-ZDUSSCGKSA-N 1 2 361.405 3.703 20 10 FHCDLO C[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141367436 947706462 /nfs/dbraw/zinc/70/64/62/947706462.db2.gz AAGVYBHZFCYTKD-HNNXBMFYSA-N 1 2 362.695 3.793 20 10 FHCDLO C[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141367436 947706469 /nfs/dbraw/zinc/70/64/69/947706469.db2.gz AAGVYBHZFCYTKD-HNNXBMFYSA-N 1 2 362.695 3.793 20 10 FHCDLO Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000471223422 929266518 /nfs/dbraw/zinc/26/65/18/929266518.db2.gz GLTAVRCGNGNVOK-UHFFFAOYSA-N 1 2 358.445 3.662 20 10 FHCDLO CN(c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1)C1CCCCC1 ZINC000156282711 937425363 /nfs/dbraw/zinc/42/53/63/937425363.db2.gz GBRAFXMQRYTBPR-GOSISDBHSA-N 1 2 366.509 3.531 20 10 FHCDLO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708124931 936152880 /nfs/dbraw/zinc/15/28/80/936152880.db2.gz JXEGXIUKLBJYML-LLVKDONJSA-N 1 2 350.684 3.695 20 10 FHCDLO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000310054267 939114574 /nfs/dbraw/zinc/11/45/74/939114574.db2.gz WLQQANWWOFPNDH-AWEZNQCLSA-N 1 2 354.878 3.925 20 10 FHCDLO CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000255890296 940767205 /nfs/dbraw/zinc/76/72/05/940767205.db2.gz HVTVYEXLNOUHPK-UHFFFAOYSA-N 1 2 351.454 3.556 20 10 FHCDLO Cc1ccc2c(C3=CCN(c4ncnc5c4C[N@H+](C)CC5)CC3)c[nH]c2c1 ZINC000377492460 941766632 /nfs/dbraw/zinc/76/66/32/941766632.db2.gz VUPRQMZBRDYNLF-UHFFFAOYSA-N 1 2 359.477 3.548 20 10 FHCDLO Cc1ccc2c(C3=CCN(c4ncnc5c4C[N@@H+](C)CC5)CC3)c[nH]c2c1 ZINC000377492460 941766635 /nfs/dbraw/zinc/76/66/35/941766635.db2.gz VUPRQMZBRDYNLF-UHFFFAOYSA-N 1 2 359.477 3.548 20 10 FHCDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2c2nccs2)c1O ZINC000378332129 942597148 /nfs/dbraw/zinc/59/71/48/942597148.db2.gz ANHLVGZRCYOXRH-LBPRGKRZSA-N 1 2 369.284 3.957 20 10 FHCDLO COc1cc(Br)cc(C[N@H+]2CCC[C@H]2c2nccs2)c1O ZINC000378332129 942597153 /nfs/dbraw/zinc/59/71/53/942597153.db2.gz ANHLVGZRCYOXRH-LBPRGKRZSA-N 1 2 369.284 3.957 20 10 FHCDLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Br)cc(F)c1O ZINC000363854834 942851108 /nfs/dbraw/zinc/85/11/08/942851108.db2.gz AHXJDRWYHFARMT-OQPBUACISA-N 1 2 354.223 3.745 20 10 FHCDLO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2F)c1 ZINC000273373775 942943357 /nfs/dbraw/zinc/94/33/57/942943357.db2.gz GUPPEWFCCOOUQA-DJJJIMSYSA-N 1 2 355.413 3.714 20 10 FHCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608637 942996141 /nfs/dbraw/zinc/99/61/41/942996141.db2.gz VASUQMVNVKBFSF-OLZOCXBDSA-N 1 2 367.405 3.641 20 10 FHCDLO Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894779283 944594618 /nfs/dbraw/zinc/59/46/18/944594618.db2.gz FMDJOOLQUDFLPQ-SNVBAGLBSA-N 1 2 370.678 3.531 20 10 FHCDLO Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894779283 944594625 /nfs/dbraw/zinc/59/46/25/944594625.db2.gz FMDJOOLQUDFLPQ-SNVBAGLBSA-N 1 2 370.678 3.531 20 10 FHCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000060993121 536700395 /nfs/dbraw/zinc/70/03/95/536700395.db2.gz YPRCLSJYWBGBAP-INIZCTEOSA-N 1 2 364.449 3.628 20 10 FHCDLO COc1ccc([NH+]2CCC(N(C)C(=O)/C=C/c3cnc(C)s3)CC2)cc1 ZINC000365237567 568347029 /nfs/dbraw/zinc/34/70/29/568347029.db2.gz CBNNGUWIHIBCQP-CMDGGOBGSA-N 1 2 371.506 3.601 20 10 FHCDLO C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccc(F)c(F)c1O ZINC000276205867 932050627 /nfs/dbraw/zinc/05/06/27/932050627.db2.gz OKWTYEJGFPCQQZ-MRVPVSSYSA-N 1 2 372.297 3.583 20 10 FHCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H](c2ccccc2)CO1 ZINC000093660681 934162677 /nfs/dbraw/zinc/16/26/77/934162677.db2.gz BBQRSXQTQKJTSX-JTSKRJEESA-N 1 2 370.468 3.624 20 10 FHCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H](c2ccccc2)CO1 ZINC000093660681 934162679 /nfs/dbraw/zinc/16/26/79/934162679.db2.gz BBQRSXQTQKJTSX-JTSKRJEESA-N 1 2 370.468 3.624 20 10 FHCDLO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756637995 945090430 /nfs/dbraw/zinc/09/04/30/945090430.db2.gz PRPWWGRMVHXWPF-ZBEGNZNMSA-N 1 2 368.246 3.986 20 10 FHCDLO C[N@H+](Cc1cccc(Br)c1O)Cc1ccccc1[N+](=O)[O-] ZINC000179316017 939080628 /nfs/dbraw/zinc/08/06/28/939080628.db2.gz AEIMRTIHONRQIS-UHFFFAOYSA-N 1 2 351.200 3.695 20 10 FHCDLO C[N@@H+](Cc1cccc(Br)c1O)Cc1ccccc1[N+](=O)[O-] ZINC000179316017 939080631 /nfs/dbraw/zinc/08/06/31/939080631.db2.gz AEIMRTIHONRQIS-UHFFFAOYSA-N 1 2 351.200 3.695 20 10 FHCDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(N2CCCC2)cc1 ZINC000179756237 939931745 /nfs/dbraw/zinc/93/17/45/939931745.db2.gz ILMQMDSYYLNNSH-UHFFFAOYSA-N 1 2 350.470 3.794 20 10 FHCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1OC ZINC000377160805 941536533 /nfs/dbraw/zinc/53/65/33/941536533.db2.gz GMHXCDXOBGCEPQ-OAHLLOKOSA-N 1 2 373.453 3.787 20 10 FHCDLO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1OC ZINC000377160805 941536536 /nfs/dbraw/zinc/53/65/36/941536536.db2.gz GMHXCDXOBGCEPQ-OAHLLOKOSA-N 1 2 373.453 3.787 20 10 FHCDLO C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273477793 942966625 /nfs/dbraw/zinc/96/66/25/942966625.db2.gz LDXKIIXJJKDARH-GJZGRUSLSA-N 1 2 370.453 3.572 20 10 FHCDLO CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cc[nH+]c(N)c1 ZINC000193074657 944450780 /nfs/dbraw/zinc/45/07/80/944450780.db2.gz RHSWDXTYVKQBBP-UHFFFAOYSA-N 1 2 368.462 3.611 20 10 FHCDLO COc1ccc(N2CC[NH+](Cc3coc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000043564145 136121286 /nfs/dbraw/zinc/12/12/86/136121286.db2.gz HDXAXHBXBNDMFR-UHFFFAOYSA-N 1 2 363.461 3.981 20 10 FHCDLO CC[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(Cl)c1O ZINC000834883807 932174403 /nfs/dbraw/zinc/17/44/03/932174403.db2.gz HROPKOALBRSNES-GFCCVEGCSA-N 1 2 358.667 3.783 20 10 FHCDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)c(O)c1OC ZINC000891928757 934072260 /nfs/dbraw/zinc/07/22/60/934072260.db2.gz IQIPCEZGOYPBEH-QGZVFWFLSA-N 1 2 363.841 3.636 20 10 FHCDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)c(O)c1OC ZINC000891928757 934072268 /nfs/dbraw/zinc/07/22/68/934072268.db2.gz IQIPCEZGOYPBEH-QGZVFWFLSA-N 1 2 363.841 3.636 20 10 FHCDLO Cn1cc([C@@H]([NH2+]Cc2cccc(F)c2O)c2ccc(F)c(Cl)c2)cn1 ZINC000376896184 941461723 /nfs/dbraw/zinc/46/17/23/941461723.db2.gz MVURREHXFZGISW-KRWDZBQOSA-N 1 2 363.795 3.937 20 10 FHCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1OC ZINC000377160804 941536720 /nfs/dbraw/zinc/53/67/20/941536720.db2.gz GMHXCDXOBGCEPQ-HNNXBMFYSA-N 1 2 373.453 3.787 20 10 FHCDLO COc1cc(O)c(C[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1OC ZINC000377160804 941536723 /nfs/dbraw/zinc/53/67/23/941536723.db2.gz GMHXCDXOBGCEPQ-HNNXBMFYSA-N 1 2 373.453 3.787 20 10 FHCDLO COC(=O)c1c(C[NH2+]Cc2cc(C(C)C)no2)c2cc(F)ccc2n1C ZINC000894255234 942370087 /nfs/dbraw/zinc/37/00/87/942370087.db2.gz BWRDXSGWNCGTTO-UHFFFAOYSA-N 1 2 359.401 3.505 20 10 FHCDLO C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(Br)ccc1O ZINC000273460882 942961964 /nfs/dbraw/zinc/96/19/64/942961964.db2.gz CPDVEFCNZUNSIF-GFCCVEGCSA-N 1 2 353.304 3.822 20 10 FHCDLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2O)[nH]1 ZINC000273501020 942972461 /nfs/dbraw/zinc/97/24/61/942972461.db2.gz QEECEMCIRSPOBJ-NXEZZACHSA-N 1 2 353.264 3.808 20 10 FHCDLO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756624953 944884158 /nfs/dbraw/zinc/88/41/58/944884158.db2.gz HZEAAJONKPBJEP-NEPJUHHUSA-N 1 2 362.283 3.989 20 10 FHCDLO C[C@@H](c1ccccc1)[N@H+](Cc1ncnn1CCF)Cc1ccccc1O ZINC000281750791 945841630 /nfs/dbraw/zinc/84/16/30/945841630.db2.gz XWRIPTDLXFJUCL-INIZCTEOSA-N 1 2 354.429 3.717 20 10 FHCDLO C[C@@H](c1ccccc1)[N@@H+](Cc1ncnn1CCF)Cc1ccccc1O ZINC000281750791 945841637 /nfs/dbraw/zinc/84/16/37/945841637.db2.gz XWRIPTDLXFJUCL-INIZCTEOSA-N 1 2 354.429 3.717 20 10 FHCDLO CCN(Cc1ccc(N(C)C)cc1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301946190 946050305 /nfs/dbraw/zinc/05/03/05/946050305.db2.gz XJPGDYDJVSLHNC-UHFFFAOYSA-N 1 2 352.486 3.674 20 10 FHCDLO Oc1c(F)cc(F)cc1C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000897265023 947070868 /nfs/dbraw/zinc/07/08/68/947070868.db2.gz SOFGASKGNIZQOA-QGZVFWFLSA-N 1 2 361.388 3.521 20 10 FHCDLO O=C(C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1)N1CCCCC1 ZINC000162647964 568000977 /nfs/dbraw/zinc/00/09/77/568000977.db2.gz OFFPHFPMVCCTMZ-UHFFFAOYSA-N 1 2 371.308 3.924 20 10 FHCDLO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cc(F)cc(F)c3O)CCC[C@H]12 ZINC000708435613 938532716 /nfs/dbraw/zinc/53/27/16/938532716.db2.gz DXLZCCBJVNMUIT-HNAYVOBHSA-N 1 2 368.424 3.692 20 10 FHCDLO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000376043424 940230726 /nfs/dbraw/zinc/23/07/26/940230726.db2.gz HUVOEVQGAKRICJ-UHFFFAOYSA-N 1 2 361.751 3.885 20 10 FHCDLO CN(c1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000729346515 941726568 /nfs/dbraw/zinc/72/65/68/941726568.db2.gz YFAQBQKJQHRPQJ-UHFFFAOYSA-N 1 2 354.498 3.749 20 10 FHCDLO COc1ccc(O)c(C[NH2+][C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000377701061 941911019 /nfs/dbraw/zinc/91/10/19/941911019.db2.gz NJCPCQDLPJSAQR-NSHDSACASA-N 1 2 359.813 3.955 20 10 FHCDLO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1noc(-c2ccc(Cl)cc2)n1 ZINC000364148105 943685032 /nfs/dbraw/zinc/68/50/32/943685032.db2.gz WZRYOQATWSTBKF-SNVBAGLBSA-N 1 2 373.796 3.675 20 10 FHCDLO COc1cc(C)cc(C[NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)c1O ZINC000894323142 944810505 /nfs/dbraw/zinc/81/05/05/944810505.db2.gz IDZSVJVSWPZHPJ-AWEZNQCLSA-N 1 2 353.422 3.534 20 10 FHCDLO CCCN(CCC)c1ccc(C[NH+]2CCC(S(=O)(=O)CC)CC2)cc1 ZINC000195160988 944815948 /nfs/dbraw/zinc/81/59/48/944815948.db2.gz UPIVIMARAKFKPQ-UHFFFAOYSA-N 1 2 366.571 3.712 20 10 FHCDLO COc1ccc(N2CCCN(c3cc[nH+]c4c(OC)cccc34)CC2)cc1 ZINC000302423728 946222556 /nfs/dbraw/zinc/22/25/56/946222556.db2.gz JLRSXTHISLTJRS-UHFFFAOYSA-N 1 2 363.461 3.969 20 10 FHCDLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(Br)c(F)cc1O ZINC000840892392 946612226 /nfs/dbraw/zinc/61/22/26/946612226.db2.gz ZEJKWJOHVIJNAB-ZETCQYMHSA-N 1 2 372.263 3.874 20 10 FHCDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2O)CCC[C@@]1(C)O ZINC001141367966 947714733 /nfs/dbraw/zinc/71/47/33/947714733.db2.gz YLYIPHUCUGTHKH-ZUZCIYMTSA-N 1 2 362.695 3.791 20 10 FHCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2O)CCC[C@@]1(C)O ZINC001141367966 947714734 /nfs/dbraw/zinc/71/47/34/947714734.db2.gz YLYIPHUCUGTHKH-ZUZCIYMTSA-N 1 2 362.695 3.791 20 10 FHCDLO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000760041293 948381059 /nfs/dbraw/zinc/38/10/59/948381059.db2.gz OHXZBVSHVVTMLC-WQFAYQGZSA-N 1 2 351.368 3.626 20 10 FHCDLO OCC1([NH2+]Cc2cc(Br)cc(F)c2O)CCCCCCC1 ZINC001203422403 948752405 /nfs/dbraw/zinc/75/24/05/948752405.db2.gz SKDHNEBIWIINMA-UHFFFAOYSA-N 1 2 360.267 3.859 20 10 FHCDLO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000382454206 933102535 /nfs/dbraw/zinc/10/25/35/933102535.db2.gz IASHFCKTMLCDQD-OCCSQVGLSA-N 1 2 354.878 3.829 20 10 FHCDLO CC(C)CCOCC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708125280 936153300 /nfs/dbraw/zinc/15/33/00/936153300.db2.gz NZZCGJLDUDHKNS-UHFFFAOYSA-N 1 2 350.684 3.960 20 10 FHCDLO C[N@H+](Cc1ncnn1CC(F)F)Cc1cc(-c2ccccc2)ccc1O ZINC000278536993 938516326 /nfs/dbraw/zinc/51/63/26/938516326.db2.gz BSHKYTKCUZCDRY-UHFFFAOYSA-N 1 2 358.392 3.548 20 10 FHCDLO C[N@@H+](Cc1ncnn1CC(F)F)Cc1cc(-c2ccccc2)ccc1O ZINC000278536993 938516328 /nfs/dbraw/zinc/51/63/28/938516328.db2.gz BSHKYTKCUZCDRY-UHFFFAOYSA-N 1 2 358.392 3.548 20 10 FHCDLO CC(C)(CF)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000309617309 941502851 /nfs/dbraw/zinc/50/28/51/941502851.db2.gz ODNCIWZLTQIQDA-UHFFFAOYSA-N 1 2 355.045 3.755 20 10 FHCDLO Cc1csc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)n1 ZINC000756399702 942653277 /nfs/dbraw/zinc/65/32/77/942653277.db2.gz FNUJXOCGBGRHLI-VIFPVBQESA-N 1 2 359.264 3.952 20 10 FHCDLO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756401651 942663096 /nfs/dbraw/zinc/66/30/96/942663096.db2.gz QJRGLLSMJIXHSO-VXGBXAGGSA-N 1 2 359.283 3.819 20 10 FHCDLO CCOC(=O)c1c[nH+]c2ccccc2c1NCc1cccc(OC)c1O ZINC000301983569 946064924 /nfs/dbraw/zinc/06/49/24/946064924.db2.gz KDDGBUXEIFVTQL-UHFFFAOYSA-N 1 2 352.390 3.738 20 10 FHCDLO Oc1c(F)cc(Cl)cc1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826510873 948432328 /nfs/dbraw/zinc/43/23/28/948432328.db2.gz OZRRIRQIZQKRHV-UHFFFAOYSA-N 1 2 373.819 3.529 20 10 FHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826510873 948432334 /nfs/dbraw/zinc/43/23/34/948432334.db2.gz OZRRIRQIZQKRHV-UHFFFAOYSA-N 1 2 373.819 3.529 20 10 FHCDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c(O)c1OC ZINC000893641802 948536376 /nfs/dbraw/zinc/53/63/76/948536376.db2.gz ZHICUCRDEOCEDB-QGZVFWFLSA-N 1 2 363.841 3.636 20 10 FHCDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c(O)c1OC ZINC000893641802 948536381 /nfs/dbraw/zinc/53/63/81/948536381.db2.gz ZHICUCRDEOCEDB-QGZVFWFLSA-N 1 2 363.841 3.636 20 10 FHCDLO COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4[nH+]ccn4c3)ccc21 ZINC000603883353 568176644 /nfs/dbraw/zinc/17/66/44/568176644.db2.gz DJQCIWCGBTWASQ-UHFFFAOYSA-N 1 2 362.433 3.805 20 10 FHCDLO Cc1c([C@H](C)[NH2+]Cc2cc(Cl)cc(Br)c2O)cnn1C ZINC000708088762 935916286 /nfs/dbraw/zinc/91/62/86/935916286.db2.gz JMPUEKXDBUDLCX-QMMMGPOBSA-N 1 2 358.667 3.701 20 10 FHCDLO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(Cl)c1O ZINC000376901563 941459754 /nfs/dbraw/zinc/45/97/54/941459754.db2.gz FARDVIVRQPPMGF-RPVQJOFSSA-N 1 2 353.890 3.654 20 10 FHCDLO Cc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1-c1ccccn1 ZINC000729339981 941723445 /nfs/dbraw/zinc/72/34/45/941723445.db2.gz FNTBKELMXFPRAL-SFHVURJKSA-N 1 2 365.481 3.530 20 10 FHCDLO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cc(Br)c(F)cc1O ZINC000756363117 942280215 /nfs/dbraw/zinc/28/02/15/942280215.db2.gz PGGBORXLJOIGFH-LLVKDONJSA-N 1 2 359.283 3.819 20 10 FHCDLO CN1C(=O)CC[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1c1cccs1 ZINC000378456964 942788872 /nfs/dbraw/zinc/78/88/72/942788872.db2.gz UYGFJBIDXRLNGD-BBRMVZONSA-N 1 2 350.871 3.559 20 10 FHCDLO Cc1ccc([C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280789898 945504359 /nfs/dbraw/zinc/50/43/59/945504359.db2.gz QWGMJYVVWZJFNQ-GUYCJALGSA-N 1 2 367.898 3.618 20 10 FHCDLO Cc1nc(NCc2ccc(N3CCSCC3)cc2)c2c([nH+]1)CCCC2 ZINC000301561134 945848859 /nfs/dbraw/zinc/84/88/59/945848859.db2.gz KJHDSRUDENCWGP-UHFFFAOYSA-N 1 2 354.523 3.829 20 10 FHCDLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(Br)cc(F)c1O ZINC000840889078 946587386 /nfs/dbraw/zinc/58/73/86/946587386.db2.gz BDBQTUVZLYEQKU-ZETCQYMHSA-N 1 2 372.263 3.874 20 10 FHCDLO c1csc(SCCCNc2[nH+]cnc3c2cnn3-c2ccccc2)n1 ZINC000301289870 947268469 /nfs/dbraw/zinc/26/84/69/947268469.db2.gz PUEDYMNAUCKQPM-UHFFFAOYSA-N 1 2 368.491 3.866 20 10 FHCDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000781986299 947578142 /nfs/dbraw/zinc/57/81/42/947578142.db2.gz URXDTESJWKQRFA-HNNXBMFYSA-N 1 2 365.779 3.792 20 10 FHCDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000781986299 947578149 /nfs/dbraw/zinc/57/81/49/947578149.db2.gz URXDTESJWKQRFA-HNNXBMFYSA-N 1 2 365.779 3.792 20 10 FHCDLO CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708210577 937162964 /nfs/dbraw/zinc/16/29/64/937162964.db2.gz FYMCFQUHGSRYFX-ZDUSSCGKSA-N 1 2 361.711 3.724 20 10 FHCDLO COc1ccc(N2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1F ZINC000180550452 941046613 /nfs/dbraw/zinc/04/66/13/941046613.db2.gz AUMIRTJSUDFFRM-UHFFFAOYSA-N 1 2 366.440 3.547 20 10 FHCDLO OC[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1OC(F)(F)F ZINC000280175535 942125949 /nfs/dbraw/zinc/12/59/49/942125949.db2.gz GHIGSWDAWSXNQF-ZDUSSCGKSA-N 1 2 361.747 3.767 20 10 FHCDLO COc1cc(N(C)Cc2c[nH+]c(C)n2-c2ccccc2)cc(OC)c1OC ZINC000180758843 942423974 /nfs/dbraw/zinc/42/39/74/942423974.db2.gz YEGHSSWAWIDKJY-UHFFFAOYSA-N 1 2 367.449 3.843 20 10 FHCDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2nccs2)c1O ZINC000378332104 942597372 /nfs/dbraw/zinc/59/73/72/942597372.db2.gz ANHLVGZRCYOXRH-GFCCVEGCSA-N 1 2 369.284 3.957 20 10 FHCDLO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2c2nccs2)c1O ZINC000378332104 942597377 /nfs/dbraw/zinc/59/73/77/942597377.db2.gz ANHLVGZRCYOXRH-GFCCVEGCSA-N 1 2 369.284 3.957 20 10 FHCDLO Cc1csc(CC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000756400312 942656263 /nfs/dbraw/zinc/65/62/63/942656263.db2.gz JQEUKVGACVPFLR-VIFPVBQESA-N 1 2 359.264 3.952 20 10 FHCDLO Cc1cccnc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000378439006 942772806 /nfs/dbraw/zinc/77/28/06/942772806.db2.gz MBGOJCONDCTWMZ-UHFFFAOYSA-N 1 2 359.857 3.600 20 10 FHCDLO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1cc(Br)c(F)cc1O ZINC000756415013 942793184 /nfs/dbraw/zinc/79/31/84/942793184.db2.gz JPVKISKLMPZEES-GFCCVEGCSA-N 1 2 359.283 3.676 20 10 FHCDLO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1noc(-c2ccc(Cl)cc2)n1 ZINC000364148104 943685339 /nfs/dbraw/zinc/68/53/39/943685339.db2.gz WZRYOQATWSTBKF-JTQLQIEISA-N 1 2 373.796 3.675 20 10 FHCDLO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756624955 944883864 /nfs/dbraw/zinc/88/38/64/944883864.db2.gz HZEAAJONKPBJEP-RYUDHWBXSA-N 1 2 362.283 3.989 20 10 FHCDLO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756624954 944884257 /nfs/dbraw/zinc/88/42/57/944884257.db2.gz HZEAAJONKPBJEP-NWDGAFQWSA-N 1 2 362.283 3.989 20 10 FHCDLO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Br)cc(F)c1O ZINC000756788533 947012745 /nfs/dbraw/zinc/01/27/45/947012745.db2.gz WAKMKTRUQNZLOL-CMPLNLGQSA-N 1 2 374.250 3.630 20 10 FHCDLO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000760041297 948380713 /nfs/dbraw/zinc/38/07/13/948380713.db2.gz OHXZBVSHVVTMLC-YARKZXGKSA-N 1 2 351.368 3.626 20 10 FHCDLO Oc1ccccc1C[N@@H+](Cc1nc(C2CCCC2)no1)C[C@H]1CCCO1 ZINC000157227426 932262259 /nfs/dbraw/zinc/26/22/59/932262259.db2.gz YFJBOALKKVZVAB-QGZVFWFLSA-N 1 2 357.454 3.614 20 10 FHCDLO Oc1ccccc1C[N@H+](Cc1nc(C2CCCC2)no1)C[C@H]1CCCO1 ZINC000157227426 932262262 /nfs/dbraw/zinc/26/22/62/932262262.db2.gz YFJBOALKKVZVAB-QGZVFWFLSA-N 1 2 357.454 3.614 20 10 FHCDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Br)c(F)cc1O ZINC000756652958 945284126 /nfs/dbraw/zinc/28/41/26/945284126.db2.gz CYDDTMJALDJAFZ-SUJZYYJXSA-N 1 2 358.251 3.902 20 10 FHCDLO Cn1cc([C@H]([NH2+]Cc2cccc(F)c2O)c2ccc(F)c(Cl)c2)cn1 ZINC000376896189 941461844 /nfs/dbraw/zinc/46/18/44/941461844.db2.gz MVURREHXFZGISW-QGZVFWFLSA-N 1 2 363.795 3.937 20 10 FHCDLO COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(C)[nH+]c(C)c3)ccc21 ZINC000421577198 942668722 /nfs/dbraw/zinc/66/87/22/942668722.db2.gz OGKOTGCLSFMBTG-UHFFFAOYSA-N 1 2 365.477 3.846 20 10 FHCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2F)c1 ZINC000273373782 942943288 /nfs/dbraw/zinc/94/32/88/942943288.db2.gz GUPPEWFCCOOUQA-YJYMSZOUSA-N 1 2 355.413 3.714 20 10 FHCDLO COc1ccc(N2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)cc1F ZINC000194432308 944675673 /nfs/dbraw/zinc/67/56/73/944675673.db2.gz DHYZSLJTJHCDTK-UHFFFAOYSA-N 1 2 373.453 3.873 20 10 FHCDLO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756624956 944883598 /nfs/dbraw/zinc/88/35/98/944883598.db2.gz HZEAAJONKPBJEP-VXGBXAGGSA-N 1 2 362.283 3.989 20 10 FHCDLO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756633985 945052856 /nfs/dbraw/zinc/05/28/56/945052856.db2.gz LEWPXVNASPJXPM-QWRGUYRKSA-N 1 2 353.235 3.971 20 10 FHCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000894982730 946759044 /nfs/dbraw/zinc/75/90/44/946759044.db2.gz IBOPRNLKWDQPGR-CQSZACIVSA-N 1 2 365.342 3.851 20 10 FHCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000894982730 946759049 /nfs/dbraw/zinc/75/90/49/946759049.db2.gz IBOPRNLKWDQPGR-CQSZACIVSA-N 1 2 365.342 3.851 20 10 FHCDLO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Br)cc(F)c1O ZINC000756788534 947012676 /nfs/dbraw/zinc/01/26/76/947012676.db2.gz WAKMKTRUQNZLOL-JQWIXIFHSA-N 1 2 374.250 3.630 20 10 FHCDLO CC[N@H+](Cc1cccc(Cl)c1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435149 947188725 /nfs/dbraw/zinc/18/87/25/947188725.db2.gz NKAWKNGKIHXUHD-LBPRGKRZSA-N 1 2 357.845 3.809 20 10 FHCDLO CC[N@@H+](Cc1cccc(Cl)c1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435149 947188733 /nfs/dbraw/zinc/18/87/33/947188733.db2.gz NKAWKNGKIHXUHD-LBPRGKRZSA-N 1 2 357.845 3.809 20 10 FHCDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(N2CCOCC2)cc1 ZINC000123235527 937129253 /nfs/dbraw/zinc/12/92/53/937129253.db2.gz YQYRKJQAVKNZMY-CABCVRRESA-N 1 2 358.486 3.616 20 10 FHCDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c(O)c1C ZINC000274656352 927372314 /nfs/dbraw/zinc/37/23/14/927372314.db2.gz UNFNMKKVVDQQHD-HNNXBMFYSA-N 1 2 352.438 3.557 20 10 FHCDLO CC(C)C[NH+]1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708210561 937163029 /nfs/dbraw/zinc/16/30/29/937163029.db2.gz FJOUMCDPLNDROW-UHFFFAOYSA-N 1 2 361.711 3.582 20 10 FHCDLO CCOCc1cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)ccc1OC ZINC000274981554 929091038 /nfs/dbraw/zinc/09/10/38/929091038.db2.gz KBZWXWNLVYGBED-UHFFFAOYSA-N 1 2 362.470 3.825 20 10 FHCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000101591909 932982176 /nfs/dbraw/zinc/98/21/76/932982176.db2.gz QPIJXOZFWPITKJ-AWEZNQCLSA-N 1 2 361.283 3.771 20 10 FHCDLO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(Br)c1O ZINC000048797067 935709703 /nfs/dbraw/zinc/70/97/03/935709703.db2.gz FIEAOUFAVOWCNC-GFCCVEGCSA-N 1 2 350.256 3.971 20 10 FHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051755352 935826839 /nfs/dbraw/zinc/82/68/39/935826839.db2.gz RABYDTQMTNUOFZ-UHFFFAOYSA-N 1 2 370.497 3.505 20 10 FHCDLO CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066701704 941229553 /nfs/dbraw/zinc/22/95/53/941229553.db2.gz PJFZDJQNVVMBKJ-UHFFFAOYSA-N 1 2 364.449 3.700 20 10 FHCDLO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756399440 942653112 /nfs/dbraw/zinc/65/31/12/942653112.db2.gz ONUDPBHTSHAOLH-SNVBAGLBSA-N 1 2 356.239 3.609 20 10 FHCDLO C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000756413433 942790859 /nfs/dbraw/zinc/79/08/59/942790859.db2.gz FGUDGEBMKXNJKU-RYUDHWBXSA-N 1 2 359.283 3.676 20 10 FHCDLO C[N@H+](Cc1cccc(Cl)c1O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271745658 943044079 /nfs/dbraw/zinc/04/40/79/943044079.db2.gz SVFQIBOAOLOJQK-UHFFFAOYSA-N 1 2 358.869 3.782 20 10 FHCDLO C[N@@H+](Cc1cccc(Cl)c1O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271745658 943044087 /nfs/dbraw/zinc/04/40/87/943044087.db2.gz SVFQIBOAOLOJQK-UHFFFAOYSA-N 1 2 358.869 3.782 20 10 FHCDLO Cc1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cs1 ZINC000126556621 944039801 /nfs/dbraw/zinc/03/98/01/944039801.db2.gz GLHNWZGCJSPJGN-LBPRGKRZSA-N 1 2 351.903 3.792 20 10 FHCDLO COc1ccc(N2CCC(Nc3nc(C)[nH+]c4c3CCCC4)CC2)cc1 ZINC000301555709 945845371 /nfs/dbraw/zinc/84/53/71/945845371.db2.gz INOHFDPNAJLXAG-UHFFFAOYSA-N 1 2 352.482 3.753 20 10 FHCDLO CN1CCCc2cc(CNc3[nH+]cnc4c3cnn4C(C)(C)C)ccc21 ZINC000301882821 946018954 /nfs/dbraw/zinc/01/89/54/946018954.db2.gz KTQLQEILJPEVKB-UHFFFAOYSA-N 1 2 350.470 3.576 20 10 FHCDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1c(O)ccc2c1CCCC2 ZINC000301891898 946023211 /nfs/dbraw/zinc/02/32/11/946023211.db2.gz OHZVHUWACMYEQM-UHFFFAOYSA-N 1 2 351.454 3.778 20 10 FHCDLO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000760041285 948381111 /nfs/dbraw/zinc/38/11/11/948381111.db2.gz OHXZBVSHVVTMLC-MAAWUACBSA-N 1 2 351.368 3.626 20 10 FHCDLO C[N@H+](Cc1csc(C(C)(C)C)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000120690543 929393788 /nfs/dbraw/zinc/39/37/88/929393788.db2.gz LILFXDKAWQLNPQ-UHFFFAOYSA-N 1 2 359.539 3.909 20 10 FHCDLO C[N@@H+](Cc1csc(C(C)(C)C)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000120690543 929393800 /nfs/dbraw/zinc/39/38/00/929393800.db2.gz LILFXDKAWQLNPQ-UHFFFAOYSA-N 1 2 359.539 3.909 20 10 FHCDLO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000382454210 933102192 /nfs/dbraw/zinc/10/21/92/933102192.db2.gz IASHFCKTMLCDQD-TZMCWYRMSA-N 1 2 354.878 3.829 20 10 FHCDLO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cc(F)cc(F)c3O)CCC[C@@H]12 ZINC000708435612 938532857 /nfs/dbraw/zinc/53/28/57/938532857.db2.gz DXLZCCBJVNMUIT-DNVCBOLYSA-N 1 2 368.424 3.692 20 10 FHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000177783795 940435650 /nfs/dbraw/zinc/43/56/50/940435650.db2.gz OMHYGSJJICDZJQ-XLIONFOSSA-N 1 2 369.513 3.522 20 10 FHCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000377230635 941578114 /nfs/dbraw/zinc/57/81/14/941578114.db2.gz DJRYDMUZXIEOHO-OAHLLOKOSA-N 1 2 372.831 3.548 20 10 FHCDLO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000182388367 942728819 /nfs/dbraw/zinc/72/88/19/942728819.db2.gz XJRCXRMLOXAGJH-SFHVURJKSA-N 1 2 367.367 3.993 20 10 FHCDLO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000182388367 942728822 /nfs/dbraw/zinc/72/88/22/942728822.db2.gz XJRCXRMLOXAGJH-SFHVURJKSA-N 1 2 367.367 3.993 20 10 FHCDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(OCc3ccccc3)cc2O)no1 ZINC000273227357 942912673 /nfs/dbraw/zinc/91/26/73/942912673.db2.gz WEXYMPMBDGIHSS-UHFFFAOYSA-N 1 2 353.422 3.688 20 10 FHCDLO Cc1ccc([C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280789893 945503853 /nfs/dbraw/zinc/50/38/53/945503853.db2.gz QWGMJYVVWZJFNQ-DYVFJYSZSA-N 1 2 367.898 3.618 20 10 FHCDLO Oc1c(F)cc(F)cc1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000894422935 945621497 /nfs/dbraw/zinc/62/14/97/945621497.db2.gz LGABEJFGMNLZNN-UHFFFAOYSA-N 1 2 351.418 3.796 20 10 FHCDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CCN1C(=O)OC(C)(C)C ZINC000310052974 946237413 /nfs/dbraw/zinc/23/74/13/946237413.db2.gz IWLVXUNAVSRHEC-TZMCWYRMSA-N 1 2 354.878 3.923 20 10 FHCDLO COc1ccc(O)c(C[NH2+]Cc2noc(-c3ccc(Cl)cc3F)n2)c1 ZINC000365338009 568526875 /nfs/dbraw/zinc/52/68/75/568526875.db2.gz RXROLTXVDJLMNC-UHFFFAOYSA-N 1 2 363.776 3.533 20 10 FHCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1ccccc1 ZINC000708073114 935856220 /nfs/dbraw/zinc/85/62/20/935856220.db2.gz KWJDIVBPJNIQAN-CQSZACIVSA-N 1 2 356.647 3.631 20 10 FHCDLO Fc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC3 ZINC000179681477 939922465 /nfs/dbraw/zinc/92/24/65/939922465.db2.gz DMGFZARNEMKIDT-UHFFFAOYSA-N 1 2 365.452 3.702 20 10 FHCDLO Fc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC3 ZINC000179681477 939922467 /nfs/dbraw/zinc/92/24/67/939922467.db2.gz DMGFZARNEMKIDT-UHFFFAOYSA-N 1 2 365.452 3.702 20 10 FHCDLO O=C1/C(=C/c2cccc3[nH+]ccn32)SC(=S)N1c1ccc(F)cc1 ZINC000180309366 940953359 /nfs/dbraw/zinc/95/33/59/940953359.db2.gz KOFRDXFMGGBDGT-UVTDQMKNSA-N 1 2 355.419 3.879 20 10 FHCDLO Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1c[nH+]c2ccc(C)cn12 ZINC000178766414 941304214 /nfs/dbraw/zinc/30/42/14/941304214.db2.gz SVWRCUJMTOAYDO-ZSOIEALJSA-N 1 2 362.458 3.975 20 10 FHCDLO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cccc(Cl)c1O ZINC000376901566 941459973 /nfs/dbraw/zinc/45/99/73/941459973.db2.gz FARDVIVRQPPMGF-SKDZVZGDSA-N 1 2 353.890 3.654 20 10 FHCDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000377013751 941492966 /nfs/dbraw/zinc/49/29/66/941492966.db2.gz PPZGWVRMGKJBLB-LLVKDONJSA-N 1 2 359.813 3.955 20 10 FHCDLO C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(Br)ccc1O ZINC000273460883 942962280 /nfs/dbraw/zinc/96/22/80/942962280.db2.gz CPDVEFCNZUNSIF-LBPRGKRZSA-N 1 2 353.304 3.822 20 10 FHCDLO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)c1C ZINC000756533697 943779870 /nfs/dbraw/zinc/77/98/70/943779870.db2.gz HBHLZMPKBPHTEU-SECBINFHSA-N 1 2 370.266 3.978 20 10 FHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000781908449 944106380 /nfs/dbraw/zinc/10/63/80/944106380.db2.gz MVMOGBSLBXLEEQ-CQSZACIVSA-N 1 2 370.287 3.769 20 10 FHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000781908449 944106386 /nfs/dbraw/zinc/10/63/86/944106386.db2.gz MVMOGBSLBXLEEQ-CQSZACIVSA-N 1 2 370.287 3.769 20 10 FHCDLO Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894779281 944594304 /nfs/dbraw/zinc/59/43/04/944594304.db2.gz FMDJOOLQUDFLPQ-JTQLQIEISA-N 1 2 370.678 3.531 20 10 FHCDLO Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894779281 944594312 /nfs/dbraw/zinc/59/43/12/944594312.db2.gz FMDJOOLQUDFLPQ-JTQLQIEISA-N 1 2 370.678 3.531 20 10 FHCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(SC)o3)CC2)cc1 ZINC000365238596 568345621 /nfs/dbraw/zinc/34/56/21/568345621.db2.gz IFZBZCAMEOJTGE-UHFFFAOYSA-N 1 2 360.479 3.751 20 10 FHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000365404300 568623028 /nfs/dbraw/zinc/62/30/28/568623028.db2.gz QMHJCTBVRQDHHN-QGZVFWFLSA-N 1 2 368.525 3.753 20 10 FHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000365404300 568623031 /nfs/dbraw/zinc/62/30/31/568623031.db2.gz QMHJCTBVRQDHHN-QGZVFWFLSA-N 1 2 368.525 3.753 20 10 FHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000708210547 937162993 /nfs/dbraw/zinc/16/29/93/937162993.db2.gz DWVUSRYZQDITCR-UHFFFAOYSA-N 1 2 360.679 3.811 20 10 FHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000708210547 937162996 /nfs/dbraw/zinc/16/29/96/937162996.db2.gz DWVUSRYZQDITCR-UHFFFAOYSA-N 1 2 360.679 3.811 20 10 FHCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000471720494 932706952 /nfs/dbraw/zinc/70/69/52/932706952.db2.gz KEUKVPZHZKCQNA-UHFFFAOYSA-N 1 2 373.460 3.672 20 10 FHCDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276779299 933365932 /nfs/dbraw/zinc/36/59/32/933365932.db2.gz DCOLMBXIRLDXLR-LJQANCHMSA-N 1 2 370.497 3.757 20 10 FHCDLO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276779299 933365946 /nfs/dbraw/zinc/36/59/46/933365946.db2.gz DCOLMBXIRLDXLR-LJQANCHMSA-N 1 2 370.497 3.757 20 10 FHCDLO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000310054269 939114339 /nfs/dbraw/zinc/11/43/39/939114339.db2.gz WLQQANWWOFPNDH-CQSZACIVSA-N 1 2 354.878 3.925 20 10 FHCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccc(Br)o2)c1O ZINC000177255214 940056324 /nfs/dbraw/zinc/05/63/24/940056324.db2.gz WGABDHBNQOIVQF-UHFFFAOYSA-N 1 2 356.191 3.721 20 10 FHCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2ccc(Br)o2)c1O ZINC000177255214 940056327 /nfs/dbraw/zinc/05/63/27/940056327.db2.gz WGABDHBNQOIVQF-UHFFFAOYSA-N 1 2 356.191 3.721 20 10 FHCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000378344709 942612890 /nfs/dbraw/zinc/61/28/90/942612890.db2.gz BUJPDKWSTUNIKC-AWEZNQCLSA-N 1 2 371.828 3.613 20 10 FHCDLO Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000378344709 942612893 /nfs/dbraw/zinc/61/28/93/942612893.db2.gz BUJPDKWSTUNIKC-AWEZNQCLSA-N 1 2 371.828 3.613 20 10 FHCDLO Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000378438742 942772789 /nfs/dbraw/zinc/77/27/89/942772789.db2.gz KVWZZRFRBBBFKZ-HNNXBMFYSA-N 1 2 359.857 3.600 20 10 FHCDLO Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000378438742 942772790 /nfs/dbraw/zinc/77/27/90/942772790.db2.gz KVWZZRFRBBBFKZ-HNNXBMFYSA-N 1 2 359.857 3.600 20 10 FHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711429863 943564945 /nfs/dbraw/zinc/56/49/45/943564945.db2.gz BCRLJGKNJLZPNH-LBPRGKRZSA-N 1 2 360.679 3.999 20 10 FHCDLO c1[nH]c2ncccc2c1C1=CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000518352060 944312359 /nfs/dbraw/zinc/31/23/59/944312359.db2.gz OYERKEVLIHMYIB-UHFFFAOYSA-N 1 2 360.465 3.637 20 10 FHCDLO c1[nH]c2ncccc2c1C1=CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000518352060 944312360 /nfs/dbraw/zinc/31/23/60/944312360.db2.gz OYERKEVLIHMYIB-UHFFFAOYSA-N 1 2 360.465 3.637 20 10 FHCDLO Fc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302780901 946321022 /nfs/dbraw/zinc/32/10/22/946321022.db2.gz JACBGGYJSBJIRT-UHFFFAOYSA-N 1 2 363.440 3.991 20 10 FHCDLO Fc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302780901 946321036 /nfs/dbraw/zinc/32/10/36/946321036.db2.gz JACBGGYJSBJIRT-UHFFFAOYSA-N 1 2 363.440 3.991 20 10 FHCDLO C[N@@H+]1CCN(Cc2cc(Cl)cc(Br)c2O)C2(CCCC2)C1 ZINC001141377543 947889495 /nfs/dbraw/zinc/88/94/95/947889495.db2.gz RWQZYCCAOVBCJV-UHFFFAOYSA-N 1 2 373.722 3.868 20 10 FHCDLO C[N@H+]1CCN(Cc2cc(Cl)cc(Br)c2O)C2(CCCC2)C1 ZINC001141377543 947889499 /nfs/dbraw/zinc/88/94/99/947889499.db2.gz RWQZYCCAOVBCJV-UHFFFAOYSA-N 1 2 373.722 3.868 20 10 FHCDLO CC(C)(C)[NH+]1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708211731 937163500 /nfs/dbraw/zinc/16/35/00/937163500.db2.gz PJNZWADOABDDEP-UHFFFAOYSA-N 1 2 361.711 3.724 20 10 FHCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cc(F)ccc1Br)CCC2 ZINC001204543124 930832203 /nfs/dbraw/zinc/83/22/03/930832203.db2.gz WLOJRJKAKBSEAX-UHFFFAOYSA-N 1 2 366.230 3.948 20 10 FHCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cc(F)ccc1Br)CCC2 ZINC001204543124 930832206 /nfs/dbraw/zinc/83/22/06/930832206.db2.gz WLOJRJKAKBSEAX-UHFFFAOYSA-N 1 2 366.230 3.948 20 10 FHCDLO CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCn2cc[nH+]c2)cc1 ZINC000255321556 932247126 /nfs/dbraw/zinc/24/71/26/932247126.db2.gz AWLAMZNQPMYORR-UHFFFAOYSA-N 1 2 362.437 3.795 20 10 FHCDLO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc(Br)cc(F)c1O ZINC000157791974 938432373 /nfs/dbraw/zinc/43/23/73/938432373.db2.gz SYYMTZBIIPJLJW-FMSQNYNMSA-N 1 2 358.251 3.902 20 10 FHCDLO Cc1cnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000122884903 942384177 /nfs/dbraw/zinc/38/41/77/942384177.db2.gz KXGWWEZXSJKDBH-CYBMUJFWSA-N 1 2 351.903 3.792 20 10 FHCDLO O=C(NC1CCCCC1)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000378450177 942783676 /nfs/dbraw/zinc/78/36/76/942783676.db2.gz BIBWAEKBSSKWBI-UHFFFAOYSA-N 1 2 365.905 3.642 20 10 FHCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608640 942996130 /nfs/dbraw/zinc/99/61/30/942996130.db2.gz VASUQMVNVKBFSF-QWHCGFSZSA-N 1 2 367.405 3.641 20 10 FHCDLO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CCN1C(=O)OC(C)(C)C ZINC000310052971 946237213 /nfs/dbraw/zinc/23/72/13/946237213.db2.gz IWLVXUNAVSRHEC-GXTWGEPZSA-N 1 2 354.878 3.923 20 10 FHCDLO COc1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc1F ZINC001168069438 946558418 /nfs/dbraw/zinc/55/84/18/946558418.db2.gz WGUHTMIOVIUGHW-UHFFFAOYSA-N 1 2 352.812 3.949 20 10 FHCDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(Br)c(F)cc1O ZINC000840892391 946612304 /nfs/dbraw/zinc/61/23/04/946612304.db2.gz ZEJKWJOHVIJNAB-SSDOTTSWSA-N 1 2 372.263 3.874 20 10 FHCDLO Oc1c(Cl)cccc1C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000897265643 947072806 /nfs/dbraw/zinc/07/28/06/947072806.db2.gz LZSQOOUIYXBKFP-KRWDZBQOSA-N 1 2 359.853 3.896 20 10 FHCDLO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000365174313 947110748 /nfs/dbraw/zinc/11/07/48/947110748.db2.gz BQXISQHRSYYVMF-MRXNPFEDSA-N 1 2 361.417 3.536 20 10 FHCDLO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000365174313 947110754 /nfs/dbraw/zinc/11/07/54/947110754.db2.gz BQXISQHRSYYVMF-MRXNPFEDSA-N 1 2 361.417 3.536 20 10 FHCDLO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(F)c(F)c1O ZINC000364800841 945115599 /nfs/dbraw/zinc/11/55/99/945115599.db2.gz XFTZAJDREPJRPP-ZMZPIMSZSA-N 1 2 361.367 3.983 20 10 FHCDLO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cccc(Br)c1O ZINC000048797104 935709765 /nfs/dbraw/zinc/70/97/65/935709765.db2.gz APXXFONNVFRTIG-AWEZNQCLSA-N 1 2 352.276 3.556 20 10 FHCDLO C[C@@H]1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCCN1C(=O)OC(C)(C)C ZINC000310053456 939113854 /nfs/dbraw/zinc/11/38/54/939113854.db2.gz MPADMADDSVRIAL-IUODEOHRSA-N 1 2 354.878 3.923 20 10 FHCDLO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Br)cc(Cl)c1O ZINC000756383076 942464173 /nfs/dbraw/zinc/46/41/73/942464173.db2.gz VOQQODMJIMCJQO-UFBFGSQYSA-N 1 2 360.635 3.785 20 10 FHCDLO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Br)cc(Cl)c1O ZINC000756383072 942473979 /nfs/dbraw/zinc/47/39/79/942473979.db2.gz VOQQODMJIMCJQO-PRHODGIISA-N 1 2 360.635 3.785 20 10 FHCDLO CN1C(=O)CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1c1cccs1 ZINC000378456968 942789171 /nfs/dbraw/zinc/78/91/71/942789171.db2.gz UYGFJBIDXRLNGD-CZUORRHYSA-N 1 2 350.871 3.559 20 10 FHCDLO C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(Br)cc(F)c1O ZINC000756413434 942790821 /nfs/dbraw/zinc/79/08/21/942790821.db2.gz FGUDGEBMKXNJKU-VXGBXAGGSA-N 1 2 359.283 3.676 20 10 FHCDLO C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273477797 942966814 /nfs/dbraw/zinc/96/68/14/942966814.db2.gz LDXKIIXJJKDARH-LSDHHAIUSA-N 1 2 370.453 3.572 20 10 FHCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1nnnn1C1CC1 ZINC000189131675 943841021 /nfs/dbraw/zinc/84/10/21/943841021.db2.gz XFYOAACEHFURAP-UONOGXRCSA-N 1 2 358.465 3.549 20 10 FHCDLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000123235994 944309870 /nfs/dbraw/zinc/30/98/70/944309870.db2.gz YQYRKJQAVKNZMY-HUUCEWRRSA-N 1 2 358.486 3.616 20 10 FHCDLO COCCn1c(C)c(C)c2cc(C(=O)Nc3ccn4cc[nH+]c4c3)ccc21 ZINC000506869122 944687562 /nfs/dbraw/zinc/68/75/62/944687562.db2.gz XOJAEDZCHSDCNM-UHFFFAOYSA-N 1 2 362.433 3.805 20 10 FHCDLO CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000255267624 931562614 /nfs/dbraw/zinc/56/26/14/931562614.db2.gz KIQJCPQHLBOZNE-UHFFFAOYSA-N 1 2 362.437 3.864 20 10 FHCDLO C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756400047 942657061 /nfs/dbraw/zinc/65/70/61/942657061.db2.gz AHKIBBVKKVJENP-ZJUUUORDSA-N 1 2 358.667 3.744 20 10 FHCDLO C[N@H+](Cc1cccc(F)c1O)C1CCN(c2ncnc3ccccc32)CC1 ZINC000378501362 942832540 /nfs/dbraw/zinc/83/25/40/942832540.db2.gz YPMQLMPAMGBQAL-UHFFFAOYSA-N 1 2 366.440 3.575 20 10 FHCDLO C[N@@H+](Cc1cccc(F)c1O)C1CCN(c2ncnc3ccccc32)CC1 ZINC000378501362 942832550 /nfs/dbraw/zinc/83/25/50/942832550.db2.gz YPMQLMPAMGBQAL-UHFFFAOYSA-N 1 2 366.440 3.575 20 10 FHCDLO C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1cc(F)cc(F)c1O ZINC000756532848 943756337 /nfs/dbraw/zinc/75/63/37/943756337.db2.gz HDXXEUCSSJJGKR-LLVKDONJSA-N 1 2 356.413 3.721 20 10 FHCDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)c1C ZINC000756533702 943780771 /nfs/dbraw/zinc/78/07/71/943780771.db2.gz HBHLZMPKBPHTEU-VIFPVBQESA-N 1 2 370.266 3.978 20 10 FHCDLO O=C1/C(=C\c2cccc3[nH+]ccn32)SC(=S)N1c1ccc(F)cc1 ZINC000255322515 932253592 /nfs/dbraw/zinc/25/35/92/932253592.db2.gz KOFRDXFMGGBDGT-GXDHUFHOSA-N 1 2 355.419 3.879 20 10 FHCDLO O=C(NCCCn1cc[nH+]c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000078802540 932550847 /nfs/dbraw/zinc/55/08/47/932550847.db2.gz AYWRMHCKVNETSY-UHFFFAOYSA-N 1 2 356.470 3.523 20 10 FHCDLO CCCOc1ccc(C[NH2+]Cc2noc(-c3ccccc3C)n2)c(O)c1 ZINC000276754154 933155313 /nfs/dbraw/zinc/15/53/13/933155313.db2.gz LSNNPVIQGQTTPI-UHFFFAOYSA-N 1 2 353.422 3.829 20 10 FHCDLO Cc1c([C@@H](C)[NH2+]Cc2cc(Cl)cc(Br)c2O)cnn1C ZINC000708088761 935916347 /nfs/dbraw/zinc/91/63/47/935916347.db2.gz JMPUEKXDBUDLCX-MRVPVSSYSA-N 1 2 358.667 3.701 20 10 FHCDLO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Br)c(F)cc1O ZINC000756652956 945284333 /nfs/dbraw/zinc/28/43/33/945284333.db2.gz CYDDTMJALDJAFZ-KBNRHUEMSA-N 1 2 358.251 3.902 20 10 FHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000177783754 940435298 /nfs/dbraw/zinc/43/52/98/940435298.db2.gz OMHYGSJJICDZJQ-FXAWDEMLSA-N 1 2 369.513 3.522 20 10 FHCDLO C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273477795 942966970 /nfs/dbraw/zinc/96/69/70/942966970.db2.gz LDXKIIXJJKDARH-HUUCEWRRSA-N 1 2 370.453 3.572 20 10 FHCDLO Cc1nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c2c([nH+]1)CCCC2 ZINC000302042844 946092548 /nfs/dbraw/zinc/09/25/48/946092548.db2.gz IYVIAGXNOHDQKZ-OAHLLOKOSA-N 1 2 352.482 3.674 20 10 FHCDLO C[N@H+](Cc1cc(F)cc(F)c1O)C1CCN(CCC(F)(F)F)CC1 ZINC000894956106 946678475 /nfs/dbraw/zinc/67/84/75/946678475.db2.gz JBQWPSGBEHPOSH-UHFFFAOYSA-N 1 2 352.347 3.519 20 10 FHCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)C1CCN(CCC(F)(F)F)CC1 ZINC000894956106 946678482 /nfs/dbraw/zinc/67/84/82/946678482.db2.gz JBQWPSGBEHPOSH-UHFFFAOYSA-N 1 2 352.347 3.519 20 10 FHCDLO Oc1cc(O)c(CCNc2ccc3c(c2)[nH+]cn3-c2ccccc2)cc1O ZINC001168005281 948494233 /nfs/dbraw/zinc/49/42/33/948494233.db2.gz DIBBIFGNOINAQW-UHFFFAOYSA-N 1 2 361.401 3.797 20 10 FHCDLO C[C@@H](NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O)c1cccs1 ZINC000096970931 932239601 /nfs/dbraw/zinc/23/96/01/932239601.db2.gz UOAHZYWESRCAGL-OAHLLOKOSA-N 1 2 370.474 3.926 20 10 FHCDLO C[C@@H](NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O)c1cccs1 ZINC000096970931 932239616 /nfs/dbraw/zinc/23/96/16/932239616.db2.gz UOAHZYWESRCAGL-OAHLLOKOSA-N 1 2 370.474 3.926 20 10 FHCDLO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756637992 945089035 /nfs/dbraw/zinc/08/90/35/945089035.db2.gz PRPWWGRMVHXWPF-BDJLRTHQSA-N 1 2 368.246 3.986 20 10 FHCDLO C[N@H+](Cc1csc(-c2ccco2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000066350555 940455394 /nfs/dbraw/zinc/45/53/94/940455394.db2.gz MQMXCAHEYBNGHU-UHFFFAOYSA-N 1 2 369.490 3.872 20 10 FHCDLO C[N@@H+](Cc1csc(-c2ccco2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000066350555 940455397 /nfs/dbraw/zinc/45/53/97/940455397.db2.gz MQMXCAHEYBNGHU-UHFFFAOYSA-N 1 2 369.490 3.872 20 10 FHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3c[nH]c[nH+]3)cc2Cl)C1 ZINC000282070535 941859081 /nfs/dbraw/zinc/85/90/81/941859081.db2.gz NAPVPTVABQXTCI-CQSZACIVSA-N 1 2 360.889 3.548 20 10 FHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3c[nH+]c[nH]3)cc2Cl)C1 ZINC000282070535 941859085 /nfs/dbraw/zinc/85/90/85/941859085.db2.gz NAPVPTVABQXTCI-CQSZACIVSA-N 1 2 360.889 3.548 20 10 FHCDLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Br)cc(F)c1O ZINC000363854836 942851574 /nfs/dbraw/zinc/85/15/74/942851574.db2.gz AHXJDRWYHFARMT-SDBXPKJASA-N 1 2 354.223 3.745 20 10 FHCDLO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2F)c1 ZINC000273373778 942943201 /nfs/dbraw/zinc/94/32/01/942943201.db2.gz GUPPEWFCCOOUQA-ORAYPTAESA-N 1 2 355.413 3.714 20 10 FHCDLO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271706646 943038499 /nfs/dbraw/zinc/03/84/99/943038499.db2.gz FTHOYRKTJUXIMI-UHFFFAOYSA-N 1 2 360.841 3.602 20 10 FHCDLO CCCCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000123236220 944310114 /nfs/dbraw/zinc/31/01/14/944310114.db2.gz NVHMCCLAADHDPD-JKSUJKDBSA-N 1 2 358.486 3.661 20 10 FHCDLO CCCCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000123236651 944310305 /nfs/dbraw/zinc/31/03/05/944310305.db2.gz NVHMCCLAADHDPD-HZPDHXFCSA-N 1 2 358.486 3.661 20 10 FHCDLO CN(C)[C@H](C[NH2+]Cc1cccc(Br)c1O)c1cccs1 ZINC000048795323 944575339 /nfs/dbraw/zinc/57/53/39/944575339.db2.gz ZYYOVRXHOQIUJS-CYBMUJFWSA-N 1 2 355.301 3.609 20 10 FHCDLO c1csc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc2)n1 ZINC000236706442 945388928 /nfs/dbraw/zinc/38/89/28/945388928.db2.gz QOSGLVSZZQROKG-HXUWFJFHSA-N 1 2 365.502 3.859 20 10 FHCDLO Cc1nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2c([nH+]1)CCCC2 ZINC000302042843 946092573 /nfs/dbraw/zinc/09/25/73/946092573.db2.gz IYVIAGXNOHDQKZ-HNNXBMFYSA-N 1 2 352.482 3.674 20 10 FHCDLO COc1cccc2c(NCc3ccc(N4CCOCC4)c(F)c3)cc[nH+]c12 ZINC000302453364 946226294 /nfs/dbraw/zinc/22/62/94/946226294.db2.gz PUCSELSJBKTYNR-UHFFFAOYSA-N 1 2 367.424 3.831 20 10 FHCDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(Br)cc(F)c1O ZINC000840889077 946587935 /nfs/dbraw/zinc/58/79/35/946587935.db2.gz BDBQTUVZLYEQKU-SSDOTTSWSA-N 1 2 372.263 3.874 20 10 FHCDLO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1nnc2n1CCCCC2 ZINC000276978167 934208987 /nfs/dbraw/zinc/20/89/87/934208987.db2.gz VJYIKQVGXXDKOE-BXUZGUMPSA-N 1 2 350.413 3.790 20 10 FHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000177783779 940435228 /nfs/dbraw/zinc/43/52/28/940435228.db2.gz OMHYGSJJICDZJQ-PXNSSMCTSA-N 1 2 369.513 3.522 20 10 FHCDLO CN1C(=O)CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1c1cccs1 ZINC000378456967 942789080 /nfs/dbraw/zinc/78/90/80/942789080.db2.gz UYGFJBIDXRLNGD-CJNGLKHVSA-N 1 2 350.871 3.559 20 10 FHCDLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2O)[nH]1 ZINC000273501031 942972410 /nfs/dbraw/zinc/97/24/10/942972410.db2.gz QEECEMCIRSPOBJ-ZJUUUORDSA-N 1 2 353.264 3.808 20 10 FHCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608634 942996054 /nfs/dbraw/zinc/99/60/54/942996054.db2.gz VASUQMVNVKBFSF-CHWSQXEVSA-N 1 2 367.405 3.641 20 10 FHCDLO Cc1ccc2[nH+]cc(/C=C3\CCn4c3nc3cc(Cl)ccc3c4=O)n2c1 ZINC000434937047 943062168 /nfs/dbraw/zinc/06/21/68/943062168.db2.gz IOZKWZMBGYSZLN-MDWZMJQESA-N 1 2 362.820 3.950 20 10 FHCDLO CN(C)[C@@H](C[NH2+]Cc1cccc(Br)c1O)c1cccs1 ZINC000048795321 944575017 /nfs/dbraw/zinc/57/50/17/944575017.db2.gz ZYYOVRXHOQIUJS-ZDUSSCGKSA-N 1 2 355.301 3.609 20 10 FHCDLO C[C@H](c1ccccc1)[N@H+](Cc1ncnn1CCF)Cc1ccccc1O ZINC000281750794 945842250 /nfs/dbraw/zinc/84/22/50/945842250.db2.gz XWRIPTDLXFJUCL-MRXNPFEDSA-N 1 2 354.429 3.717 20 10 FHCDLO C[C@H](c1ccccc1)[N@@H+](Cc1ncnn1CCF)Cc1ccccc1O ZINC000281750794 945842257 /nfs/dbraw/zinc/84/22/57/945842257.db2.gz XWRIPTDLXFJUCL-MRXNPFEDSA-N 1 2 354.429 3.717 20 10 FHCDLO Cc1nc(N(Cc2ccccc2O)C[C@@H]2CCCO2)c2c([nH+]1)CCCC2 ZINC000302119671 946129910 /nfs/dbraw/zinc/12/99/10/946129910.db2.gz XNEGAUAFNHKTEI-KRWDZBQOSA-N 1 2 353.466 3.555 20 10 FHCDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c(O)c1OC ZINC000893641801 948536227 /nfs/dbraw/zinc/53/62/27/948536227.db2.gz ZHICUCRDEOCEDB-KRWDZBQOSA-N 1 2 363.841 3.636 20 10 FHCDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c(O)c1OC ZINC000893641801 948536232 /nfs/dbraw/zinc/53/62/32/948536232.db2.gz ZHICUCRDEOCEDB-KRWDZBQOSA-N 1 2 363.841 3.636 20 10 FHCDLO