smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC(=O)NN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000073195988 203259439 /nfs/dbraw/zinc/25/94/39/203259439.db2.gz QZEILJFOMBSNNN-UHFFFAOYSA-N 1 1 333.844 3.536 1 0 EHAFMO C[N@H+]1CC[C@@H]2[C@@H](CCC[C@@H]2NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000026182275 202140073 /nfs/dbraw/zinc/14/00/73/202140073.db2.gz WORUCROBZFMMIS-GHJWDPDVSA-N 1 1 341.282 3.844 1 0 EHAFMO C[C@H]1CC(=O)C[C@]23CC[N@@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000026675178 202146500 /nfs/dbraw/zinc/14/65/00/202146500.db2.gz HOYGOGLDLPJTHF-GZPVHCRCSA-N 1 1 339.479 3.676 1 0 EHAFMO CC(C)(C)c1cc(Cc2c[nH+]c(N)nc2N)cc(C(C)(C)C)c1O ZINC000028263859 202168229 /nfs/dbraw/zinc/16/82/29/202168229.db2.gz UUSSTJBDWHEZEH-UHFFFAOYSA-N 1 1 328.460 3.532 1 0 EHAFMO Clc1ccc(C[N@H+]2CC[C@H](Nc3ccc4n[nH]cc4c3)C2)cc1 ZINC000028642189 202173497 /nfs/dbraw/zinc/17/34/97/202173497.db2.gz VYZJFSWYQODVMI-KRWDZBQOSA-N 1 1 326.831 3.903 1 0 EHAFMO O[C@@H]1Cc2ccccc2C[C@H]1[N@@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2 ZINC000029054381 202180394 /nfs/dbraw/zinc/18/03/94/202180394.db2.gz ZLZAFQPDXYRKBT-KLARFABHSA-N 1 1 333.475 3.925 1 0 EHAFMO COc1cc2c(cc1OC)[C@@H](c1ccccc1Br)[NH2+]CC2 ZINC000029125338 202181722 /nfs/dbraw/zinc/18/17/22/202181722.db2.gz AXOQZSCPPBRDTD-QGZVFWFLSA-N 1 1 348.240 3.701 1 0 EHAFMO COc1ccc2c(c1)[C@]13CC[N@@H+](CC4CCC4)[C@H](C2)[C@H]1CCC(=O)C3 ZINC000029471281 202187523 /nfs/dbraw/zinc/18/75/23/202187523.db2.gz NNUUOAQJUHMLDS-FCEUIQTBSA-N 1 1 339.479 3.733 1 0 EHAFMO Fc1ccc(CN(CC2CC2)C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000036093179 202315223 /nfs/dbraw/zinc/31/52/23/202315223.db2.gz SKZBOHXRCSRFPS-UHFFFAOYSA-N 1 1 330.369 3.809 1 0 EHAFMO Oc1cccc2c1O[C@H]1CC[C@@H]3C[C@]21CC[N@H+]3CCc1ccccc1 ZINC000072177242 203182976 /nfs/dbraw/zinc/18/29/76/203182976.db2.gz QGADLXMTFNOCAX-PIPMEXSNSA-N 1 1 335.447 3.892 1 0 EHAFMO C[C@H]1CC(=O)C[C@@]23CC[N@@H+](CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000029325143 202184680 /nfs/dbraw/zinc/18/46/80/202184680.db2.gz HOYGOGLDLPJTHF-ZTVIYSTHSA-N 1 1 339.479 3.676 1 0 EHAFMO COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@@H](CC3CCCC3)C[N@H+]1CC2 ZINC000071332204 203092906 /nfs/dbraw/zinc/09/29/06/203092906.db2.gz XALFRGKXCLWMIA-YTQUADARSA-N 1 1 345.483 3.564 1 0 EHAFMO Cc1ccc(-c2nc3ccc(NC(=O)C[NH+]4CCCC4)cc3[nH]2)cc1 ZINC000072106663 203162385 /nfs/dbraw/zinc/16/23/85/203162385.db2.gz HIJKKOGFITTXIL-UHFFFAOYSA-N 1 1 334.423 3.573 1 0 EHAFMO COc1ccc(Cl)cc1C[NH2+][C@H]1CCCN[C@H]1c1ccccc1 ZINC000026672802 202146040 /nfs/dbraw/zinc/14/60/40/202146040.db2.gz HVWRVAHBKREIOR-HKUYNNGSSA-N 1 1 330.859 3.932 1 0 EHAFMO COc1ccc2c3c1O[C@H]1CCC[C@@H]4[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026717096 202147562 /nfs/dbraw/zinc/14/75/62/202147562.db2.gz LSLFSIZNUVIKEE-KALAIVBUSA-N 1 1 325.452 3.535 1 0 EHAFMO Clc1ccccc1C[N@H+]1CC[C@@H](Nc2ccc3n[nH]cc3c2)C1 ZINC000028642015 202173692 /nfs/dbraw/zinc/17/36/92/202173692.db2.gz JQHQSWUFSHQDHF-MRXNPFEDSA-N 1 1 326.831 3.903 1 0 EHAFMO CC[C@@]12CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O ZINC000038141965 202398799 /nfs/dbraw/zinc/39/87/99/202398799.db2.gz SHZRGJVVFYZPIA-ICSRJNTNSA-N 1 1 327.399 3.846 1 0 EHAFMO COc1ccc2c(c1)[C@]13CC[N@@H+](CC4CC4)[C@H](C2)[C@H]1C[C@@H](C)C(=O)C3 ZINC000029217252 202182928 /nfs/dbraw/zinc/18/29/28/202182928.db2.gz YMCAJSSZWHVMMT-TXUCAZNCSA-N 1 1 339.479 3.589 1 0 EHAFMO COc1ccc2c(c1)[C@]13CC[N@@H+](CC4CC4)[C@H](C2)[C@H]1[C@H](C)CC(=O)C3 ZINC000029480263 202187671 /nfs/dbraw/zinc/18/76/71/202187671.db2.gz GFZHKWGREZBWQT-ISQWPPNESA-N 1 1 339.479 3.589 1 0 EHAFMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1ccccc1OC(C)(C)C)C2 ZINC000029568908 202189317 /nfs/dbraw/zinc/18/93/17/202189317.db2.gz KUCREJGSOGHLBH-GOOCMWNKSA-N 1 1 331.460 3.611 1 0 EHAFMO Nc1nc2[nH]cc(CCCc3cc(Cl)ccc3Cl)c2c(N)[nH+]1 ZINC000038237859 202399664 /nfs/dbraw/zinc/39/96/64/202399664.db2.gz KPMDOQJJXIXPQH-UHFFFAOYSA-N 1 1 336.226 3.604 1 0 EHAFMO C[N@@H+]1CCc2c3ccc(Br)cc3n3c2[C@@H]1CCC[C@@H]3O ZINC000013372074 201056500 /nfs/dbraw/zinc/05/65/00/201056500.db2.gz SEKCREXSGCGPFK-ZFWWWQNUSA-N 1 1 335.245 3.608 1 0 EHAFMO C[N@H+]1CCc2c3ccc(Br)cc3n3c2[C@@H]1CCC[C@@H]3O ZINC000013372074 201056503 /nfs/dbraw/zinc/05/65/03/201056503.db2.gz SEKCREXSGCGPFK-ZFWWWQNUSA-N 1 1 335.245 3.608 1 0 EHAFMO CC(=O)c1c(OCC[N@@H+]2CCCC[C@H]2C)ccc2c(C)cc(=O)oc21 ZINC000071294365 203091293 /nfs/dbraw/zinc/09/12/93/203091293.db2.gz GFYBYYOSIJSNGO-CQSZACIVSA-N 1 1 343.423 3.557 1 0 EHAFMO CCOC(=O)N[C@H]1CC[C@H](CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000103283891 204071685 /nfs/dbraw/zinc/07/16/85/204071685.db2.gz YAQRLZQYOQZQDV-UWUNEBHHSA-N 1 1 330.472 3.740 1 0 EHAFMO CN1c2cscc2C(N2CC[NH+](C)CC2)=Nc2ccc(Cl)cc21 ZINC000169338712 206553117 /nfs/dbraw/zinc/55/31/17/206553117.db2.gz OTWAXKMHUUBTKW-UHFFFAOYSA-N 1 1 346.887 3.809 1 0 EHAFMO Cc1[nH]c[nH+]c1C1CCN(c2ncncc2-c2cccc(C)c2)CC1 ZINC000036176409 132391421 /nfs/dbraw/zinc/39/14/21/132391421.db2.gz RNYXPPQUXCPXMN-UHFFFAOYSA-N 1 1 333.439 3.868 1 0 EHAFMO Cc1[nH+]c[nH]c1C1CCN(c2ncncc2-c2cccc(C)c2)CC1 ZINC000036176409 132391423 /nfs/dbraw/zinc/39/14/23/132391423.db2.gz RNYXPPQUXCPXMN-UHFFFAOYSA-N 1 1 333.439 3.868 1 0 EHAFMO Cc1c(C[NH+]2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 ZINC000036216614 132391621 /nfs/dbraw/zinc/39/16/21/132391621.db2.gz VFZKZZYPGOBKJY-UHFFFAOYSA-N 1 1 332.451 3.503 1 0 EHAFMO C[N@H+]1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@@H]2C1 ZINC000005986055 560204196 /nfs/dbraw/zinc/20/41/96/560204196.db2.gz LEPBHAAYNPPRRA-AUSIDOKSSA-N 1 1 344.458 3.929 3 0 in-vitro EHAFMO COc1ccc(C(=O)c2cn(C[C@@H]3CCC[N@H+]3C)c3ccccc23)cc1 ZINC000026281074 202141306 /nfs/dbraw/zinc/14/13/06/202141306.db2.gz TXPOENCRRSVEEK-KRWDZBQOSA-N 1 1 348.446 3.975 1 0 EHAFMO c1ccc2c(c1)Cc1ccccc1[C@H]1O[C@@H](C[NH+]3CCOCC3)C[C@H]21 ZINC000026669488 202146804 /nfs/dbraw/zinc/14/68/04/202146804.db2.gz GPVDPKZTACUYNW-STZQEDGTSA-N 1 1 335.447 3.537 1 0 EHAFMO COc1cc([C@@H]2C[N@H+]3CCC[C@H]3c3ccccc32)cc(OC)c1OC ZINC000029230104 202183079 /nfs/dbraw/zinc/18/30/79/202183079.db2.gz UUSGIZZJRRKUKZ-ROUUACIJSA-N 1 1 339.435 3.995 1 0 EHAFMO C[NH+]1CCN(C2=Nc3ccc(Cl)cc3Oc3c(F)cccc32)CC1 ZINC000036473907 202326592 /nfs/dbraw/zinc/32/65/92/202326592.db2.gz GHELNLUOONLIRG-UHFFFAOYSA-N 1 1 345.805 3.911 1 0 EHAFMO CN(Cc1ccc(Cl)c(Cl)c1)c1ccc2[nH+]c(N)nc(N)c2c1 ZINC000013209472 201364519 /nfs/dbraw/zinc/36/45/19/201364519.db2.gz XXVLFFLQJPHYNJ-UHFFFAOYSA-N 1 1 348.237 3.737 1 0 EHAFMO C[N@H+]1CCC[C@@H]1Cn1nc(CC2CCCCC2)c2ccccc2c1=O ZINC000071318829 203092532 /nfs/dbraw/zinc/09/25/32/203092532.db2.gz IGZMIXBCHNOMPG-QGZVFWFLSA-N 1 1 339.483 3.614 1 0 EHAFMO COc1ccc(-c2nc(CNCCC[N@H+]3CCCC[C@H]3C)co2)cc1 ZINC000072183304 203183029 /nfs/dbraw/zinc/18/30/29/203183029.db2.gz ILMDRMDPWJIMLW-MRXNPFEDSA-N 1 1 343.471 3.704 1 0 EHAFMO NC(=O)c1cccc(C[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000101363737 204005060 /nfs/dbraw/zinc/00/50/60/204005060.db2.gz SKQZYGXREOYGMD-ZKTXZKFHSA-N 1 1 334.463 3.771 1 0 EHAFMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000019732686 202016663 /nfs/dbraw/zinc/01/66/63/202016663.db2.gz QEEIYTFWZSCOSS-OCCSQVGLSA-N 1 1 349.261 3.774 1 0 EHAFMO O=[S@](C[C@@]12[NH2+][C@@H](Cc3ccccc31)c1ccccc12)c1ccccc1 ZINC000027884191 202161822 /nfs/dbraw/zinc/16/18/22/202161822.db2.gz HTVFYUVEJALYGO-FBLLAGFSSA-N 1 1 345.467 3.938 1 0 EHAFMO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2ccccc2Cl)s1 ZINC000028521319 202171247 /nfs/dbraw/zinc/17/12/47/202171247.db2.gz DBQAISAIFZUCHJ-OAHLLOKOSA-N 1 1 346.883 3.893 1 0 EHAFMO CC(C)(C[NH3+])c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000028563455 202172854 /nfs/dbraw/zinc/17/28/54/202172854.db2.gz YRHGMGAVJILIGS-UHFFFAOYSA-N 1 1 342.830 3.734 1 0 EHAFMO c1ccc2c(c1)c1c(n2CC[NH+]2CCOCC2)-c2ccccc2CC1 ZINC000031872428 202212057 /nfs/dbraw/zinc/21/20/57/202212057.db2.gz RQQICBVJVOOZOB-UHFFFAOYSA-N 1 1 332.447 3.739 1 0 EHAFMO C/C(=C\COc1ccc2ccc(=O)oc2c1)C1=CC(=[NH2+])C(C)(C)O1 ZINC000026727428 202147958 /nfs/dbraw/zinc/14/79/58/202147958.db2.gz JQZXJPJSCJINBX-CJPOYQPDSA-N 1 1 325.364 3.831 1 0 EHAFMO O=C1CC[C@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]2N1c1ccccc1 ZINC000028259681 202168060 /nfs/dbraw/zinc/16/80/60/202168060.db2.gz BBZVFMINWXZIBV-FPOVZHCZSA-N 1 1 334.463 3.747 1 0 EHAFMO C[C@@H]1CC(=O)C[C@@]23CC[N@@H+](CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000029476065 202188607 /nfs/dbraw/zinc/18/86/07/202188607.db2.gz HOYGOGLDLPJTHF-HIAIUQMRSA-N 1 1 339.479 3.676 1 0 EHAFMO CC(C)C[C@H]1C[N@H+](C/C=C/c2ccccc2)[C@@H](CC(C)C)C(=O)N1 ZINC000103267066 204070385 /nfs/dbraw/zinc/07/03/85/204070385.db2.gz MGBPHPOLBIQZRB-BNLMJFGMSA-N 1 1 328.500 3.961 1 0 EHAFMO CC(C)C[C@H]1C[N@@H+](C/C=C/c2ccccc2)[C@@H](CC(C)C)C(=O)N1 ZINC000103267066 204070390 /nfs/dbraw/zinc/07/03/90/204070390.db2.gz MGBPHPOLBIQZRB-BNLMJFGMSA-N 1 1 328.500 3.961 1 0 EHAFMO COCc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)o1 ZINC000011839666 211253790 /nfs/dbraw/zinc/25/37/90/211253790.db2.gz UZAXBANMOFVARR-HXUWFJFHSA-N 1 1 332.488 3.514 1 0 EHAFMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2 ZINC000013765778 201914162 /nfs/dbraw/zinc/91/41/62/201914162.db2.gz QAWJSXVOEPKRIQ-FKEKPDDDSA-N 1 1 333.863 3.597 1 0 EHAFMO CCOC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc3c(ccn3CC)c1)[N@H+]2C ZINC000027527190 202156488 /nfs/dbraw/zinc/15/64/88/202156488.db2.gz CVPBQVINTITVFJ-ONCXSQPRSA-N 1 1 340.467 3.791 1 0 EHAFMO CCOC(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccc(F)cc1 ZINC000028219325 202166781 /nfs/dbraw/zinc/16/67/81/202166781.db2.gz LMESQUXRYIHGAS-INIZCTEOSA-N 1 1 328.387 3.971 1 0 EHAFMO COc1cc2c(cc1OC)Cc1ccccc1CCC[N@@H+](C)CC2 ZINC000028711655 202175119 /nfs/dbraw/zinc/17/51/19/202175119.db2.gz FUBQWNPFXKULIT-UHFFFAOYSA-N 1 1 325.452 3.715 1 0 EHAFMO CC[N@H+]1CC[C@@](O)(c2ccc(C)cc2)[C@@H](C(=O)c2ccc(C)cc2)C1 ZINC000031842201 202210584 /nfs/dbraw/zinc/21/05/84/202210584.db2.gz ADTJYHHPIOXMGN-IFMALSPDSA-N 1 1 337.463 3.716 1 0 EHAFMO Fc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CC[NH2+]C3)cc1 ZINC000072108815 203162981 /nfs/dbraw/zinc/16/29/81/203162981.db2.gz PNUNNNKTJAYRDW-UHFFFAOYSA-N 1 1 326.350 3.675 1 0 EHAFMO CCOC(=O)N1CC[NH+]([C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000071932052 203153057 /nfs/dbraw/zinc/15/30/57/203153057.db2.gz KCLKFSNIKSIDJF-SFHVURJKSA-N 1 1 341.455 3.628 1 0 EHAFMO Cc1noc(C)c1[C@H](c1ccc(C(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022035003 202077157 /nfs/dbraw/zinc/07/71/57/202077157.db2.gz CRMNFKWFQPZNEH-FQEVSTJZSA-N 1 1 327.472 3.752 1 0 EHAFMO Cc1noc(C)c1[C@H](c1ccc(C(C)C)cc1)[NH+]1CCN(C)CC1 ZINC000022035003 202077160 /nfs/dbraw/zinc/07/71/60/202077160.db2.gz CRMNFKWFQPZNEH-FQEVSTJZSA-N 1 1 327.472 3.752 1 0 EHAFMO CCC[C@H]1CC[C@@H]2Oc3c4c(ccc3OC)C[C@@H]3[C@H]1[C@@]42CC[N@H+]3C ZINC000026675373 202146320 /nfs/dbraw/zinc/14/63/20/202146320.db2.gz PGBXOIHYFFYKQT-PLIGNYQWSA-N 1 1 327.468 3.781 1 0 EHAFMO C[N@H+]1CC[C@H](c2ccc(Cl)cc2)[C@H](C(=O)Oc2ccccc2)C1 ZINC000026828512 202148670 /nfs/dbraw/zinc/14/86/70/202148670.db2.gz IKQCRXDMGMJMFY-QZTJIDSGSA-N 1 1 329.827 3.981 1 0 EHAFMO CCOc1cc2c(cc1OCC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3C[N@H+]1CC2 ZINC000028765440 202176272 /nfs/dbraw/zinc/17/62/72/202176272.db2.gz ANDOQLXQJYNBHQ-NTDBWNAOSA-N 1 1 345.483 3.564 1 0 EHAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)[N@H+]2C/C=C/CF ZINC000035030819 202285545 /nfs/dbraw/zinc/28/55/45/202285545.db2.gz XZWRXMFAFBSAJC-BFKYMBCJSA-N 1 1 331.431 3.630 1 0 EHAFMO CC(=O)c1cc2c(C)cc(=O)oc2cc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000071295387 203091217 /nfs/dbraw/zinc/09/12/17/203091217.db2.gz CMVNWQPKLMMSEY-AWEZNQCLSA-N 1 1 343.423 3.557 1 0 EHAFMO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000021639474 202067605 /nfs/dbraw/zinc/06/76/05/202067605.db2.gz MDFZDNPCUKLBDB-UHFFFAOYSA-N 1 1 346.434 3.787 1 0 EHAFMO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000021639474 202067609 /nfs/dbraw/zinc/06/76/09/202067609.db2.gz MDFZDNPCUKLBDB-UHFFFAOYSA-N 1 1 346.434 3.787 1 0 EHAFMO C[NH+]1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 ZINC000022452134 202085245 /nfs/dbraw/zinc/08/52/45/202085245.db2.gz YQXNPUPTPJOJOV-OAHLLOKOSA-N 1 1 333.888 3.595 1 0 EHAFMO Cc1[nH+]ccn1CC[C@@H](C(N)=O)C1c2ccccc2Oc2ccccc21 ZINC000026261958 202139594 /nfs/dbraw/zinc/13/95/94/202139594.db2.gz RXWFWALKVIDZCQ-QGZVFWFLSA-N 1 1 347.418 3.621 1 0 EHAFMO CCC(=O)N1c2ccccc2[C@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000027878705 202161197 /nfs/dbraw/zinc/16/11/97/202161197.db2.gz KIEDKQOTIJJPES-CTNGQTDRSA-N 1 1 334.463 3.844 1 0 EHAFMO Cc1ccc(O)c(C(=O)NCCC[N@@H+]2[C@@H]3CCCC[C@H]3CC[C@@H]2C)c1 ZINC000029397506 202186858 /nfs/dbraw/zinc/18/68/58/202186858.db2.gz JYSCQQFMBWWEBV-JENIJYKNSA-N 1 1 344.499 3.864 1 0 EHAFMO C[C@H]1C[N@@H+]2C[C@H](C3CCCCC3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075262 202287027 /nfs/dbraw/zinc/28/70/27/202287027.db2.gz BWOMRDADNOYECR-ZHODDXKCSA-N 1 1 342.527 3.912 1 0 EHAFMO C[C@H]1C[N@H+]2C[C@H](C3CCCCC3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075262 202287029 /nfs/dbraw/zinc/28/70/29/202287029.db2.gz BWOMRDADNOYECR-ZHODDXKCSA-N 1 1 342.527 3.912 1 0 EHAFMO FC(F)(F)c1cccc(C[C@H](c2ccccc2)[NH+]2CCNCC2)c1 ZINC000036093329 202314608 /nfs/dbraw/zinc/31/46/08/202314608.db2.gz PGYQPHBCJVVZFQ-GOSISDBHSA-N 1 1 334.385 3.894 1 0 EHAFMO Nc1nc(N)c2cc(CNc3cc(Cl)cc(Cl)c3)ccc2[nH+]1 ZINC000029470194 201387824 /nfs/dbraw/zinc/38/78/24/201387824.db2.gz FHKTXAWZOYFBNE-UHFFFAOYSA-N 1 1 334.210 3.713 1 0 EHAFMO OCCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@@H+]1Cc1ccccc1)[C@@H]23 ZINC000072113279 203162476 /nfs/dbraw/zinc/16/24/76/203162476.db2.gz WLTUSPOXUMWKCR-CBPXPLCBSA-N 1 1 342.527 3.524 1 0 EHAFMO OCCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@H+]1Cc1ccccc1)[C@@H]23 ZINC000072113279 203162478 /nfs/dbraw/zinc/16/24/78/203162478.db2.gz WLTUSPOXUMWKCR-CBPXPLCBSA-N 1 1 342.527 3.524 1 0 EHAFMO COc1ccc2c3c1O[C@H]1CC[C@H](C)[C@@H]4[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026669696 202146761 /nfs/dbraw/zinc/14/67/61/202146761.db2.gz ZBWRAFCZORHKCH-BJPKZRLKSA-N 1 1 339.479 3.781 1 0 EHAFMO CCC(=O)N1c2ccccc2[C@H]2C[N@H+](CCc3ccccc3)CC[C@H]21 ZINC000027878700 202161670 /nfs/dbraw/zinc/16/16/70/202161670.db2.gz KIEDKQOTIJJPES-TZIWHRDSSA-N 1 1 334.463 3.844 1 0 EHAFMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C2 ZINC000029462974 202186828 /nfs/dbraw/zinc/18/68/28/202186828.db2.gz BVCZZYXMKXEVPJ-MZBDJJRSSA-N 1 1 337.847 3.666 1 0 EHAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3Oc3ccc(F)cc32)CC1 ZINC000036473647 202325702 /nfs/dbraw/zinc/32/57/02/202325702.db2.gz LVISCEAMAYEIOJ-UHFFFAOYSA-N 1 1 345.805 3.911 1 0 EHAFMO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccco3)cc1)[N@H+]2C ZINC000028565873 202172744 /nfs/dbraw/zinc/17/27/44/202172744.db2.gz JHSDPTHVDPIYLW-DODZYUBVSA-N 1 1 325.408 3.686 1 0 EHAFMO C[C@H]1C(=O)C[C@@]23CC[N@@H+](CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@H]3[C@@H]1C ZINC000029219877 202183467 /nfs/dbraw/zinc/18/34/67/202183467.db2.gz OPCNDODYLHTBLM-LZGJORBISA-N 1 1 339.479 3.532 1 0 EHAFMO C[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CC[N@H+]3CC2CCC2)CC1=O ZINC000029218125 202183560 /nfs/dbraw/zinc/18/35/60/202183560.db2.gz JGGKOMOQMSZYOH-QXHRYPSCSA-N 1 1 339.479 3.676 1 0 EHAFMO Oc1cccc2c1O[C@@H]1CC[C@@H]3C[C@]21CC[N@H+]3CCc1ccccc1 ZINC000072175101 203182049 /nfs/dbraw/zinc/18/20/49/203182049.db2.gz QGADLXMTFNOCAX-NQSCKRDGSA-N 1 1 335.447 3.892 1 0 EHAFMO C[N@H+](CCN1CCCC1)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC000019365474 202005220 /nfs/dbraw/zinc/00/52/20/202005220.db2.gz XOVFYKRTWRZVSX-OAHLLOKOSA-N 1 1 327.299 3.878 1 0 EHAFMO C[N@@H+](CCN1CCCC1)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC000019365474 202005223 /nfs/dbraw/zinc/00/52/23/202005223.db2.gz XOVFYKRTWRZVSX-OAHLLOKOSA-N 1 1 327.299 3.878 1 0 EHAFMO Cc1noc(C)c1CC[N@@H+]1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000020917093 202058169 /nfs/dbraw/zinc/05/81/69/202058169.db2.gz KLUUBMWYZSKGMG-KRWDZBQOSA-N 1 1 328.391 3.686 1 0 EHAFMO Cc1noc(C)c1CC[N@H+]1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000020917093 202058172 /nfs/dbraw/zinc/05/81/72/202058172.db2.gz KLUUBMWYZSKGMG-KRWDZBQOSA-N 1 1 328.391 3.686 1 0 EHAFMO Cc1c(-c2ccc3cc(CC[N@@H+]4CCC[C@H]4C)ccc3n2)cnn1C ZINC000034093929 202272120 /nfs/dbraw/zinc/27/21/20/202272120.db2.gz DTNZMCVNYXFSAS-OAHLLOKOSA-N 1 1 334.467 3.971 1 0 EHAFMO CCC[C@H]1CC(=O)C[C@]23CC[N@@H+](C)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000034347854 202272947 /nfs/dbraw/zinc/27/29/47/202272947.db2.gz JMRCYEFEEQSEKU-PSMQTCRGSA-N 1 1 327.468 3.589 1 0 EHAFMO N=C(N)c1ccc(-c2cc3ccc(-c4ccc(C(N)=[NH2+])cc4)cc3[nH]2)o1 ZINC000071294740 203091470 /nfs/dbraw/zinc/09/14/70/203091470.db2.gz JSKOMBFGAGLBMD-UHFFFAOYSA-N 1 1 343.390 3.663 1 0 EHAFMO C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cccnc43)cc12 ZINC000026475529 202143908 /nfs/dbraw/zinc/14/39/08/202143908.db2.gz VIEKPLVJCPXIIB-OAHLLOKOSA-N 1 1 331.423 3.539 1 0 EHAFMO C[N@H+]1CCc2c(c(-c3ccc(F)cc3)nn2CCc2ccccc2)C1 ZINC000028006311 202164041 /nfs/dbraw/zinc/16/40/41/202164041.db2.gz GSXYWPMZPIKWBL-UHFFFAOYSA-N 1 1 335.426 3.920 1 0 EHAFMO Clc1cccc(C[N@H+]2CC[C@@H](Nc3ccc4n[nH]cc4c3)C2)c1 ZINC000028642176 202174590 /nfs/dbraw/zinc/17/45/90/202174590.db2.gz DBLHWYWZXQGUJM-QGZVFWFLSA-N 1 1 326.831 3.903 1 0 EHAFMO CCC(=O)N1c2ccccc2[C@@H]2C[N@H+](CCc3ccccc3)CC[C@H]21 ZINC000036216086 202319119 /nfs/dbraw/zinc/31/91/19/202319119.db2.gz KIEDKQOTIJJPES-PZJWPPBQSA-N 1 1 334.463 3.844 1 0 EHAFMO COc1ccc([C@H](O)[C@@H](C)[N@@H+]2CC=C(Cc3ccccc3)CC2)cc1 ZINC000031575953 201387576 /nfs/dbraw/zinc/38/75/76/201387576.db2.gz XQLBAPHRSPLANO-VGOFRKELSA-N 1 1 337.463 3.992 1 0 EHAFMO CCN1CC[NH+](Cc2ccc3c(ccn3Cc3ccccc3)c2)CC1 ZINC000071294869 203091347 /nfs/dbraw/zinc/09/13/47/203091347.db2.gz ZFRUBAHDTXBUFH-UHFFFAOYSA-N 1 1 333.479 3.827 1 0 EHAFMO Cc1[nH+]ccn1CC[C@H](C(N)=O)C1c2ccccc2Oc2ccccc21 ZINC000026261951 202140170 /nfs/dbraw/zinc/14/01/70/202140170.db2.gz RXWFWALKVIDZCQ-KRWDZBQOSA-N 1 1 347.418 3.621 1 0 EHAFMO CCC[C@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1[N@H+]2C ZINC000027421129 202155181 /nfs/dbraw/zinc/15/51/81/202155181.db2.gz NYHLSJFRSGAHTE-HVTWWXFQSA-N 1 1 329.484 3.917 1 0 EHAFMO Cc1cc2c(s1)C(N1CC[NH+](C)CC1)=Nc1cc(F)ccc1N2 ZINC000027988293 202163144 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C[C@H]1SCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)C1=O ZINC000035091127 213007990 /nfs/dbraw/zinc/00/79/90/213007990.db2.gz YRMQOBKLBSVRPJ-LLVKDONJSA-N 1 1 335.860 3.612 1 0 EHAFMO COc1cc(OC)c2nc(C)c3c(C)[nH+]c(-c4ccncc4C)n3c2c1 ZINC000073195932 216362521 /nfs/dbraw/zinc/36/25/21/216362521.db2.gz IIKAIGZIYWPSLV-UHFFFAOYSA-N 1 1 348.406 3.887 1 0 EHAFMO c1ccc(CC[N@H+]2CCc3nc(Nc4ccccc4)ncc3C2)cc1 ZINC000021639874 212236295 /nfs/dbraw/zinc/23/62/95/212236295.db2.gz WCNPGPVNCRKBSQ-UHFFFAOYSA-N 1 1 330.435 3.821 1 0 EHAFMO COCc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)o1 ZINC000011839667 211254262 /nfs/dbraw/zinc/25/42/62/211254262.db2.gz UZAXBANMOFVARR-FQEVSTJZSA-N 1 1 332.488 3.514 1 0 EHAFMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(C(C)=O)c1)C2 ZINC000004886723 210311491 /nfs/dbraw/zinc/31/14/91/210311491.db2.gz JGJUKYHYKCAEKR-YQQQUEKLSA-N 1 1 343.471 3.806 1 0 EHAFMO Cc1nnc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000098084149 219081279 /nfs/dbraw/zinc/08/12/79/219081279.db2.gz PONVYQWSVWRTNT-UHFFFAOYSA-N 1 1 335.407 3.544 1 0 EHAFMO C[N@H+]1[C@@H]2CC[C@H]1[C@H](C(=O)N1CCCC1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000036270792 213080180 /nfs/dbraw/zinc/08/01/80/213080180.db2.gz FDJNTRXHKYKJDR-ZJPYXAASSA-N 1 1 332.875 3.529 1 0 EHAFMO C[N@H+](CCN1CCCC1)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC000019365785 212021200 /nfs/dbraw/zinc/02/12/00/212021200.db2.gz XOVFYKRTWRZVSX-HNNXBMFYSA-N 1 1 327.299 3.878 1 0 EHAFMO C[N@@H+](CCN1CCCC1)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC000019365785 212021201 /nfs/dbraw/zinc/02/12/01/212021201.db2.gz XOVFYKRTWRZVSX-HNNXBMFYSA-N 1 1 327.299 3.878 1 0 EHAFMO CC[NH+](CC)CCCN(C)c1[nH]cc(C)c2nc3ccncc3c1-2 ZINC000100794007 219107310 /nfs/dbraw/zinc/10/73/10/219107310.db2.gz ITFRSCQQKZKLNW-UHFFFAOYSA-N 1 1 325.460 3.539 1 0 EHAFMO COc1cc[nH+]c(CCc2nc3cc(-c4ccccc4)cnc3[nH]2)c1 ZINC000003818243 210076974 /nfs/dbraw/zinc/07/69/74/210076974.db2.gz RQQOXRLDELSYCF-UHFFFAOYSA-N 1 1 330.391 3.814 1 0 in-vivo EHAFMO C[NH+]1CCN(C2=Nc3ccc(Cl)cc3Oc3cc(F)ccc32)CC1 ZINC000036473767 213099528 /nfs/dbraw/zinc/09/95/28/213099528.db2.gz NBMDNUKKIXJADO-UHFFFAOYSA-N 1 1 345.805 3.911 1 0 EHAFMO C[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@H+]3CC2CCC2)CC1=O ZINC000029218121 212657596 /nfs/dbraw/zinc/65/75/96/212657596.db2.gz JGGKOMOQMSZYOH-TXUCAZNCSA-N 1 1 339.479 3.676 1 0 EHAFMO OC[C@@H]1CCC[N@H+]1CCc1c[nH]c2ccc(-c3cccs3)cc12 ZINC000028012217 212595265 /nfs/dbraw/zinc/59/52/65/212595265.db2.gz VWTQLLNPBQMWDB-INIZCTEOSA-N 1 1 326.465 3.896 1 0 EHAFMO C[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000055133490 214278005 /nfs/dbraw/zinc/27/80/05/214278005.db2.gz YSCFJWKZERANJL-PZJWPPBQSA-N 1 1 338.499 3.569 1 0 EHAFMO Cc1cccc(NC(=O)N2CC[N@@H+]([C@H]3C=CC=C(C)C3)[C@H](C)C2)c1 ZINC000040394192 213296327 /nfs/dbraw/zinc/29/63/27/213296327.db2.gz FHPMCTWHYXFYGV-MJGOQNOKSA-N 1 1 325.456 3.808 1 0 EHAFMO COCc1ccccc1CC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000085486955 291001079 /nfs/dbraw/zinc/00/10/79/291001079.db2.gz OQGFTWNDUDCPTQ-FCHUYYIVSA-N 1 1 339.479 3.964 1 0 biogenic,in-vitro EHAFMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC000039447589 213235325 /nfs/dbraw/zinc/23/53/25/213235325.db2.gz SBYATQAJNVMQNO-JOCHJYFZSA-N 1 1 335.495 3.878 1 0 EHAFMO CCOc1ccc(Cl)cc1-c1cc2[nH+]c(N)nc(N)c2cc1C ZINC000072114523 216011664 /nfs/dbraw/zinc/01/16/64/216011664.db2.gz CDDUFXDZAGJSTL-UHFFFAOYSA-N 1 1 328.803 3.822 1 0 EHAFMO C[C@@H]1CC(=O)C[C@]23CC[N@@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000040374180 213293091 /nfs/dbraw/zinc/29/30/91/213293091.db2.gz HOYGOGLDLPJTHF-ISQWPPNESA-N 1 1 339.479 3.676 1 0 EHAFMO Clc1ccc2c(NCCNc3ccnc(Cl)n3)cc[nH+]c2c1 ZINC000103260177 219277540 /nfs/dbraw/zinc/27/75/40/219277540.db2.gz MAWOYNWKWFPABM-UHFFFAOYSA-N 1 1 334.210 3.856 1 0 EHAFMO C[N@@H+]1C[C@@](O)(c2ccc(-c3ccc(F)cc3)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169291093 529824048 /nfs/dbraw/zinc/82/40/48/529824048.db2.gz ACXMYGZDRUPYQF-HBMCJLEFSA-N 1 1 341.426 3.911 1 0 EHAFMO C[N@H+]1C[C@@](O)(c2ccc(-c3ccc(F)cc3)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169291093 529824049 /nfs/dbraw/zinc/82/40/49/529824049.db2.gz ACXMYGZDRUPYQF-HBMCJLEFSA-N 1 1 341.426 3.911 1 0 EHAFMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004057414 210109142 /nfs/dbraw/zinc/10/91/42/210109142.db2.gz RTKLGPKHHCHQMK-AWEZNQCLSA-N 1 1 337.423 3.504 3 0 EHAFMO CC[C@@]1(O)C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C[C@@H]1CC(C)C ZINC000003876053 210081866 /nfs/dbraw/zinc/08/18/66/210081866.db2.gz TUNMGCULOKMBNJ-YRISNDGFSA-N 1 1 347.499 3.810 1 0 EHAFMO CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](C)C2 ZINC000036381381 213092778 /nfs/dbraw/zinc/09/27/78/213092778.db2.gz BNBPDLHZYILUPO-UHFFFAOYSA-N 1 1 343.477 3.971 3 0 EHAFMO CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](C)C2 ZINC000036381381 213092781 /nfs/dbraw/zinc/09/27/81/213092781.db2.gz BNBPDLHZYILUPO-UHFFFAOYSA-N 1 1 343.477 3.971 3 0 EHAFMO C[C@@H]1SCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)C1=O ZINC000035091129 213007849 /nfs/dbraw/zinc/00/78/49/213007849.db2.gz YRMQOBKLBSVRPJ-NSHDSACASA-N 1 1 335.860 3.612 1 0 EHAFMO Cc1cn(Cc2coc(-c3ccccc3Br)n2)c(C)[nH+]1 ZINC000072142714 216027214 /nfs/dbraw/zinc/02/72/14/216027214.db2.gz IOMBCTGSWFDMFI-UHFFFAOYSA-N 1 1 332.201 3.966 1 0 EHAFMO Clc1ccc2ccn(CCN3CCC[N@H+]4CCCC[C@@H]4C3)c2c1 ZINC000022940028 212337347 /nfs/dbraw/zinc/33/73/47/212337347.db2.gz VUPZTBCFGWVULV-GOSISDBHSA-N 1 1 331.891 3.855 1 0 EHAFMO Cc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccco2)c1 ZINC000004886273 210311697 /nfs/dbraw/zinc/31/16/97/210311697.db2.gz DTFOSUNUSLBGHY-AYHJJNSGSA-N 1 1 339.439 3.905 3 0 EHAFMO CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)[NH+]1CCC(C)CC1 ZINC000004847740 210299059 /nfs/dbraw/zinc/29/90/59/210299059.db2.gz SBNJNXRFWDMEMI-GOSISDBHSA-N 1 1 341.503 3.948 3 0 EHAFMO Clc1cccc(C[N@H+]2CC[C@H](Nc3ccc4n[nH]cc4c3)C2)c1 ZINC000028642177 581098796 /nfs/dbraw/zinc/09/87/96/581098796.db2.gz DBLHWYWZXQGUJM-KRWDZBQOSA-N 1 1 326.831 3.903 1 0 EHAFMO O=C1CCSCN1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091179 213008184 /nfs/dbraw/zinc/00/81/84/213008184.db2.gz HMDVGPZCACDPND-UHFFFAOYSA-N 1 1 335.860 3.613 1 0 EHAFMO CCOc1ccc2[nH]ccc2c1-c1cc2[nH+]c(N)nc(N)c2cc1C ZINC000072116524 216012094 /nfs/dbraw/zinc/01/20/94/216012094.db2.gz PMYSHQIRGNMQPJ-UHFFFAOYSA-N 1 1 333.395 3.650 1 0 EHAFMO CCC[C@@H]1C[C@H]2[C@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1[N@H+]2C ZINC000103253934 219276729 /nfs/dbraw/zinc/27/67/29/219276729.db2.gz NYHLSJFRSGAHTE-RMMWZPCPSA-N 1 1 329.484 3.917 1 0 EHAFMO Oc1ccc2c(c1)[C@]13CCC[C@H](C1)[N@H+](CCc1ccccc1)C[C@H]3O2 ZINC000072106535 216009238 /nfs/dbraw/zinc/00/92/38/216009238.db2.gz RPHBDNREXVLWPF-YHYVQYDKSA-N 1 1 335.447 3.892 1 0 EHAFMO COc1cc(OC)c2nc(C)c3c(C)[nH+]c(-c4cnccc4C)n3c2c1 ZINC000073195931 216362548 /nfs/dbraw/zinc/36/25/48/216362548.db2.gz CUJLFJITXUBBRJ-UHFFFAOYSA-N 1 1 348.406 3.887 1 0 EHAFMO Cc1nn(C)cc1C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000012281018 211334019 /nfs/dbraw/zinc/33/40/19/211334019.db2.gz KKJQFDFEZRHADW-OAQYLSRUSA-N 1 1 333.435 3.864 1 0 EHAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1cc(Cl)cc3c1OC(C)(C)C3)C2 ZINC000103225860 219272270 /nfs/dbraw/zinc/27/22/70/219272270.db2.gz GNXREEBVGSIBJO-FICVDOATSA-N 1 1 349.858 3.836 1 0 EHAFMO CC[C@H]1CC(=O)C[C@]23CC[N@@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13 ZINC000040800917 213387914 /nfs/dbraw/zinc/38/79/14/213387914.db2.gz RUNRCUXZMMKEMO-QWIYEXKTSA-N 1 1 339.479 3.676 1 0 EHAFMO COc1cc(-c2nc(C[N@H+]3CCCC[C@H]3C)co2)cc(OC)c1OC ZINC000072102520 216008415 /nfs/dbraw/zinc/00/84/15/216008415.db2.gz VUJKBHATOVIGQY-CYBMUJFWSA-N 1 1 346.427 3.742 1 0 EHAFMO Cc1noc(C)c1CC[N@@H+]1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000020917089 212188633 /nfs/dbraw/zinc/18/86/33/212188633.db2.gz KLUUBMWYZSKGMG-QGZVFWFLSA-N 1 1 328.391 3.686 1 0 EHAFMO Cc1noc(C)c1CC[N@H+]1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000020917089 212188637 /nfs/dbraw/zinc/18/86/37/212188637.db2.gz KLUUBMWYZSKGMG-QGZVFWFLSA-N 1 1 328.391 3.686 1 0 EHAFMO COCCNc1c(-c2ccc(OC)cc2)[nH+]c2ccc(Cl)cn21 ZINC000004847591 210299096 /nfs/dbraw/zinc/29/90/96/210299096.db2.gz XECPLCNYDKBKPP-UHFFFAOYSA-N 1 1 331.803 3.722 3 0 EHAFMO COc1cc(-c2nc(C[N@H+]3CCCC[C@@H]3C)co2)cc(OC)c1OC ZINC000072102521 216008330 /nfs/dbraw/zinc/00/83/30/216008330.db2.gz VUJKBHATOVIGQY-ZDUSSCGKSA-N 1 1 346.427 3.742 1 0 EHAFMO CCc1c(Sc2cccc3ccccc32)[nH]c2nc(N)[nH+]c(N)c21 ZINC000014967410 581093361 /nfs/dbraw/zinc/09/33/61/581093361.db2.gz WZEGUAMBNIKMMX-UHFFFAOYSA-N 1 1 335.436 3.989 1 0 EHAFMO C[C@H]1C[N@H+]2CCN(c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000052971540 132186145 /nfs/dbraw/zinc/18/61/45/132186145.db2.gz SQRKIMSOSQTNKG-UCNVEGJOSA-N 1 1 336.479 3.881 1 0 EHAFMO CN(Cc1cccc2ccccc21)c1ccc2[nH+]c(N)nc(N)c2c1 ZINC000003814866 210077460 /nfs/dbraw/zinc/07/74/60/210077460.db2.gz XPVNRORENSGCQA-UHFFFAOYSA-N 1 1 329.407 3.584 1 0 EHAFMO Clc1ccc2c(NCCNc3nccc(Cl)n3)cc[nH+]c2c1 ZINC000103260160 219278352 /nfs/dbraw/zinc/27/83/52/219278352.db2.gz UIWMLBZNTFDFMP-UHFFFAOYSA-N 1 1 334.210 3.856 1 0 EHAFMO C[NH+]1CCN([C@@H]2Cc3ccc(F)cc3Sc3ccccc32)CC1 ZINC000019802272 212069840 /nfs/dbraw/zinc/06/98/40/212069840.db2.gz PICQGXBCTSFNCV-QGZVFWFLSA-N 1 1 328.456 3.822 1 0 EHAFMO COc1ccc2c3c1O[C@@H]1CC[C@H](C)[C@H]4[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000040461397 213307843 /nfs/dbraw/zinc/30/78/43/213307843.db2.gz ZBWRAFCZORHKCH-GEADCETCSA-N 1 1 339.479 3.781 1 0 EHAFMO CCC(=O)N1c2ccccc2[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000036216084 213077210 /nfs/dbraw/zinc/07/72/10/213077210.db2.gz KIEDKQOTIJJPES-FPOVZHCZSA-N 1 1 334.463 3.844 1 0 EHAFMO O[C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2OCCc2cccc3ccccc32)C1 ZINC000028653864 212629733 /nfs/dbraw/zinc/62/97/33/212629733.db2.gz YGFOYGMYBHFEOM-FCEUIQTBSA-N 1 1 339.479 3.777 1 0 EHAFMO Cc1noc(C)c1[C@@H](c1ccc(C(C)C)cc1)N1CC[NH+](C)CC1 ZINC000019364628 212021591 /nfs/dbraw/zinc/02/15/91/212021591.db2.gz CRMNFKWFQPZNEH-HXUWFJFHSA-N 1 1 327.472 3.752 1 0 EHAFMO Cc1noc(C)c1[C@@H](c1ccc(C(C)C)cc1)[NH+]1CCN(C)CC1 ZINC000019364628 212021593 /nfs/dbraw/zinc/02/15/93/212021593.db2.gz CRMNFKWFQPZNEH-HXUWFJFHSA-N 1 1 327.472 3.752 1 0 EHAFMO C[N@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)CC1CCOCC1 ZINC000012434124 211379992 /nfs/dbraw/zinc/37/99/92/211379992.db2.gz RUGCDUOLGBBZBT-UHFFFAOYSA-N 1 1 325.412 3.681 3 0 EHAFMO CCC(CC)Sc1nc2cc(N3CC[NH2+]CC3)c(Cl)cc2[nH]1 ZINC000000003308 521598848 /nfs/dbraw/zinc/59/88/48/521598848.db2.gz IREAFUQXIISQHN-UHFFFAOYSA-N 1 1 338.908 3.907 1 0 EHAFMO C[N@H+]1CCC[C@H]1[C@H]1C[S@@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 ZINC000040429985 213302698 /nfs/dbraw/zinc/30/26/98/213302698.db2.gz UNZBDOQVZFAUNP-VKDGWMQASA-N 1 1 347.524 3.661 1 0 EHAFMO N[C@H](c1ccc(O)cc1Cl)[C@@H]([NH3+])c1c(Cl)cc(O)cc1Cl ZINC000022441429 212298281 /nfs/dbraw/zinc/29/82/81/212298281.db2.gz OIRXFMQHJZPZPB-KGLIPLIRSA-N 1 1 347.629 3.758 1 0 EHAFMO CC(C)(C)C(=O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020766597 212170057 /nfs/dbraw/zinc/17/00/57/212170057.db2.gz DUPTYLSZFPSMAQ-UHFFFAOYSA-N 1 1 348.490 3.989 3 0 EHAFMO C[NH+]1CCN([C@H]2Cc3ccc(F)cc3Sc3ccccc32)CC1 ZINC000019802275 212069962 /nfs/dbraw/zinc/06/99/62/212069962.db2.gz PICQGXBCTSFNCV-KRWDZBQOSA-N 1 1 328.456 3.822 1 0 EHAFMO CCc1c(Sc2ccc3ccccc3c2)[nH]c2nc(N)[nH+]c(N)c21 ZINC000014967413 581093341 /nfs/dbraw/zinc/09/33/41/581093341.db2.gz FWCRIJARCDMCDD-UHFFFAOYSA-N 1 1 335.436 3.989 1 0 EHAFMO C[C@@H]1CCC[N@H+]1CCc1ccc2nc(C3=NCCS3)ccc2c1 ZINC000038606947 213215724 /nfs/dbraw/zinc/21/57/24/213215724.db2.gz CQOZCJAFTZEIHN-CQSZACIVSA-N 1 1 325.481 3.755 1 0 EHAFMO COc1cc2nncc(-c3ccc(NC(C)C)[nH+]c3C)c2cc1OC ZINC000073314317 216376603 /nfs/dbraw/zinc/37/66/03/216376603.db2.gz SRWDZVGNJJXGHF-UHFFFAOYSA-N 1 1 338.411 3.838 1 0 EHAFMO CN1CC[NH+]([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000022937732 212337303 /nfs/dbraw/zinc/33/73/03/212337303.db2.gz BOFPIRRSGDHUCZ-ICSRJNTNSA-N 1 1 328.406 3.789 1 0 EHAFMO COc1cccc(-c2n[nH]c3c2C[N@@H+](CCc2ccccc2)CC3)c1 ZINC000012306677 211340916 /nfs/dbraw/zinc/34/09/16/211340916.db2.gz BHYILAGCOGEINJ-UHFFFAOYSA-N 1 1 333.435 3.686 1 0 EHAFMO Fc1ccc(C[N@H+]2CCC[C@@H](Nc3ccc4n[nH]cc4c3)C2)cc1F ZINC000003942082 210094237 /nfs/dbraw/zinc/09/42/37/210094237.db2.gz NVDYRDZHCINQQB-MRXNPFEDSA-N 1 1 342.393 3.918 1 0 EHAFMO COc1ccc(CN2C[C@H]3CCC[C@@H]2C[N@H+]3Cc2ccccc2)cc1 ZINC000103290065 219284202 /nfs/dbraw/zinc/28/42/02/219284202.db2.gz GMUOMGSEWQGKDD-NHCUHLMSSA-N 1 1 336.479 3.934 1 0 EHAFMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]2CN3Cc2ccccc2)cc1 ZINC000103290065 219284204 /nfs/dbraw/zinc/28/42/04/219284204.db2.gz GMUOMGSEWQGKDD-NHCUHLMSSA-N 1 1 336.479 3.934 1 0 EHAFMO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H]2CN3Cc2ccccc2)cc1 ZINC000103290065 219284207 /nfs/dbraw/zinc/28/42/07/219284207.db2.gz GMUOMGSEWQGKDD-NHCUHLMSSA-N 1 1 336.479 3.934 1 0 EHAFMO CN1CC[NH+]([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000022937739 212338302 /nfs/dbraw/zinc/33/83/02/212338302.db2.gz BOFPIRRSGDHUCZ-QUCCMNQESA-N 1 1 328.406 3.789 1 0 EHAFMO CN1CC[NH+]([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000022937735 212337844 /nfs/dbraw/zinc/33/78/44/212337844.db2.gz BOFPIRRSGDHUCZ-UYAOXDASSA-N 1 1 328.406 3.789 1 0 EHAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000255979757 244057813 /nfs/dbraw/zinc/05/78/13/244057813.db2.gz IUTYUDPWXQZWTH-ACDBMABISA-N 1 1 335.447 3.987 1 0 EHAFMO Fc1ccccc1CN1CCC[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000011938453 211271207 /nfs/dbraw/zinc/27/12/07/211271207.db2.gz KQYLMRCYVHNSKW-OAQYLSRUSA-N 1 1 339.458 3.709 1 0 EHAFMO Fc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000011938453 211271212 /nfs/dbraw/zinc/27/12/12/211271212.db2.gz KQYLMRCYVHNSKW-OAQYLSRUSA-N 1 1 339.458 3.709 1 0 EHAFMO Fc1ccccc1C[N@H+]1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000011938453 211271217 /nfs/dbraw/zinc/27/12/17/211271217.db2.gz KQYLMRCYVHNSKW-OAQYLSRUSA-N 1 1 339.458 3.709 1 0 EHAFMO COc1ccccc1-c1cncnc1N1CCC(c2[nH+]c[nH]c2C)CC1 ZINC000036176427 132390840 /nfs/dbraw/zinc/39/08/40/132390840.db2.gz MLAWOXNCSWOIBV-UHFFFAOYSA-N 1 1 349.438 3.568 1 0 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/nfs/dbraw/zinc/24/63/62/211246362.db2.gz SXSQTABQVPXWLQ-QFIPXVFZSA-N 1 1 334.463 3.985 3 0 EHAFMO Cc1c(Br)cccc1NC(=O)[C@@]1(C)CC[N@H+]1C(C)C ZINC000061908863 214685732 /nfs/dbraw/zinc/68/57/32/214685732.db2.gz MZOJMPMHQGDKEV-OAHLLOKOSA-N 1 1 325.250 3.569 3 0 EHAFMO Cc1c(Br)cccc1NC(=O)[C@@]1(C)CC[N@@H+]1C(C)C ZINC000061908863 214685735 /nfs/dbraw/zinc/68/57/35/214685735.db2.gz MZOJMPMHQGDKEV-OAHLLOKOSA-N 1 1 325.250 3.569 3 0 EHAFMO O[C@@]1(c2ccc(Cl)cc2)CC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000040864122 213394163 /nfs/dbraw/zinc/39/41/63/213394163.db2.gz PVPFHWKNLSESPB-IBGZPJMESA-N 1 1 326.827 3.915 1 0 in-vitro EHAFMO Cc1[nH]nc2nc3c(C)cc(Cl)cc3c(C[N@H+]3CCCOCC3)c12 ZINC000073164501 216359946 /nfs/dbraw/zinc/35/99/46/216359946.db2.gz WNNSIEODSKVDRW-UHFFFAOYSA-N 1 1 344.846 3.604 1 0 EHAFMO Fc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000021639822 212235969 /nfs/dbraw/zinc/23/59/69/212235969.db2.gz FYOLWAUQXDNHIY-UHFFFAOYSA-N 1 1 334.398 3.918 1 0 EHAFMO Fc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000021639822 212235971 /nfs/dbraw/zinc/23/59/71/212235971.db2.gz FYOLWAUQXDNHIY-UHFFFAOYSA-N 1 1 334.398 3.918 1 0 EHAFMO C[N@H+]1C[C@H]2C[C@@H]1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000013456294 211560736 /nfs/dbraw/zinc/56/07/36/211560736.db2.gz GVNGZGPVJXWAOP-AHRSYUTCSA-N 1 1 335.447 3.628 1 0 EHAFMO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+]CCCc1c3ccccc3[nH]c12 ZINC000049111800 213988054 /nfs/dbraw/zinc/98/80/54/213988054.db2.gz XLPGZBXLXQTUGC-LJQANCHMSA-N 1 1 337.810 3.553 1 0 EHAFMO O[C@]1(c2ccc(-c3ccccc3F)cc2)C[N@@H+]2CCCC[C@@H]2CO1 ZINC000040835733 213390943 /nfs/dbraw/zinc/39/09/43/213390943.db2.gz DBVDXUCLXQNGAT-YLJYHZDGSA-N 1 1 327.399 3.523 1 0 EHAFMO O[C@]1(c2ccc(-c3ccccc3F)cc2)C[N@H+]2CCCC[C@@H]2CO1 ZINC000040835733 213390948 /nfs/dbraw/zinc/39/09/48/213390948.db2.gz DBVDXUCLXQNGAT-YLJYHZDGSA-N 1 1 327.399 3.523 1 0 EHAFMO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000011773662 211246109 /nfs/dbraw/zinc/24/61/09/211246109.db2.gz SXSQTABQVPXWLQ-JOCHJYFZSA-N 1 1 334.463 3.985 3 0 EHAFMO Cc1[nH]c[nH+]c1C1CCN(c2ncncc2-c2ccccc2C)CC1 ZINC000036176462 132391367 /nfs/dbraw/zinc/39/13/67/132391367.db2.gz AAZYMKQLICKXJJ-UHFFFAOYSA-N 1 1 333.439 3.868 1 0 EHAFMO Cc1[nH+]c[nH]c1C1CCN(c2ncncc2-c2ccccc2C)CC1 ZINC000036176462 132391369 /nfs/dbraw/zinc/39/13/69/132391369.db2.gz AAZYMKQLICKXJJ-UHFFFAOYSA-N 1 1 333.439 3.868 1 0 EHAFMO c1cc(C[N@@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)cs1 ZINC000011843176 211255913 /nfs/dbraw/zinc/25/59/13/211255913.db2.gz IMAMVNYJICEILJ-UHFFFAOYSA-N 1 1 340.404 3.690 1 0 EHAFMO c1cc(C[N@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)cs1 ZINC000011843176 211255918 /nfs/dbraw/zinc/25/59/18/211255918.db2.gz IMAMVNYJICEILJ-UHFFFAOYSA-N 1 1 340.404 3.690 1 0 EHAFMO O=C(c1ccco1)N1CCC2(CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000004237963 210149201 /nfs/dbraw/zinc/14/92/01/210149201.db2.gz GLLFWOFWMFVUGJ-UHFFFAOYSA-N 1 1 338.451 3.798 1 0 EHAFMO CCOC(=O)c1ccc2[nH+]c(-c3cccnc3)c3c(c2c1)NCCC3 ZINC000103261367 219278168 /nfs/dbraw/zinc/27/81/68/219278168.db2.gz CAYLLNNRKRSNSP-UHFFFAOYSA-N 1 1 333.391 3.832 1 0 EHAFMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000022023251 212270661 /nfs/dbraw/zinc/27/06/61/212270661.db2.gz WLNBVANUSJPCGE-OLZOCXBDSA-N 1 1 349.261 3.774 1 0 EHAFMO O[C@@]1(c2ccc(Cl)cc2)CC[N@@H+](CCc2c[nH]c3ccccc23)C1 ZINC000040863440 213395329 /nfs/dbraw/zinc/39/53/29/213395329.db2.gz PRUAALOHVVCQPZ-FQEVSTJZSA-N 1 1 340.854 3.957 1 0 in-vitro EHAFMO C[C@H]1C(=O)C[C@]23CC[N@@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]3[C@@H]1C ZINC000040670299 213366477 /nfs/dbraw/zinc/36/64/77/213366477.db2.gz OPCNDODYLHTBLM-CFTCIKEMSA-N 1 1 339.479 3.532 1 0 EHAFMO CO[C@H]1Cc2ccccc2[C@]2(CCC[N@@H+](CCc3ccccc3)C2)O1 ZINC000045288129 213720813 /nfs/dbraw/zinc/72/08/13/213720813.db2.gz MPYFPWRZHBPIGT-FGZHOGPDSA-N 1 1 337.463 3.766 1 0 EHAFMO COc1ccc2[nH]c3c(c2c1)[C@@]1(c2cccc(O)c2)CC[N@@H+](C)[C@@H](C3)C1 ZINC000013756000 211631348 /nfs/dbraw/zinc/63/13/48/211631348.db2.gz QRSAMOUGQMIXEX-NYHFZMIOSA-N 1 1 348.446 3.819 1 0 EHAFMO C[N@H+]1C[C@H]2C[C@@H]1C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000013446468 211558928 /nfs/dbraw/zinc/55/89/28/211558928.db2.gz PCEDEEWEONTUHP-PWIZWCRZSA-N 1 1 335.447 3.844 1 0 EHAFMO COc1cccc(-c2cncnc2N2CCC(c3[nH+]c[nH]c3C)CC2)c1 ZINC000036176444 132390620 /nfs/dbraw/zinc/39/06/20/132390620.db2.gz PWLOHJCSBUHAHZ-UHFFFAOYSA-N 1 1 349.438 3.568 1 0 EHAFMO COc1cccc(-c2cncnc2N2CCC(c3[nH]c[nH+]c3C)CC2)c1 ZINC000036176444 132390621 /nfs/dbraw/zinc/39/06/21/132390621.db2.gz PWLOHJCSBUHAHZ-UHFFFAOYSA-N 1 1 349.438 3.568 1 0 EHAFMO CCN(Cc1cccc2ccccc21)c1ccc2[nH+]c(N)nc(N)c2c1 ZINC000040955120 581095123 /nfs/dbraw/zinc/09/51/23/581095123.db2.gz RRDCFLPDCXWHHN-UHFFFAOYSA-N 1 1 343.434 3.974 1 0 EHAFMO C[N@@H+]1C[C@](O)(c2ccc(-c3ccccc3F)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169291111 529830008 /nfs/dbraw/zinc/83/00/08/529830008.db2.gz DVRJPNBGRUZGDS-PWRODBHTSA-N 1 1 341.426 3.911 1 0 EHAFMO C[N@H+]1C[C@](O)(c2ccc(-c3ccccc3F)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169291111 529830010 /nfs/dbraw/zinc/83/00/10/529830010.db2.gz DVRJPNBGRUZGDS-PWRODBHTSA-N 1 1 341.426 3.911 1 0 EHAFMO COc1ccc2c3c1O[C@@H]1CC[C@H](C)[C@@H]4[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000040461398 213307485 /nfs/dbraw/zinc/30/74/85/213307485.db2.gz ZBWRAFCZORHKCH-ZUQWUQHMSA-N 1 1 339.479 3.781 1 0 EHAFMO CC[C@@H]1CC(=O)C[C@@]23CC[N@@H+](CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000029476354 212668147 /nfs/dbraw/zinc/66/81/47/212668147.db2.gz RUNRCUXZMMKEMO-OUWXYEHJSA-N 1 1 339.479 3.676 1 0 EHAFMO C[C@@H]1C[N@H+](Cc2c3cccnc3[nH]c2-c2cccs2)C[C@H](C)O1 ZINC000019497547 212032710 /nfs/dbraw/zinc/03/27/10/212032710.db2.gz NIBBOEBCXIUYSV-BETUJISGSA-N 1 1 327.453 3.901 1 0 EHAFMO Nc1nc(-c2ccc(Cl)o2)nc2sc(C[N@@H+]3CC=CCC3)cc21 ZINC000118592948 221160590 /nfs/dbraw/zinc/16/05/90/221160590.db2.gz CMCQWYYGEHUAAM-UHFFFAOYSA-N 1 1 346.843 3.949 1 0 EHAFMO C[N@H+]1CCC[C@H]1CCNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000066156546 215018458 /nfs/dbraw/zinc/01/84/58/215018458.db2.gz JNWYEODEBAGYHC-HNNXBMFYSA-N 1 1 349.434 3.709 1 0 EHAFMO CNc1[nH]cc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)[nH+]1 ZINC000103258680 219278151 /nfs/dbraw/zinc/27/81/51/219278151.db2.gz UMBIDIUNTWEHKV-UHFFFAOYSA-N 1 1 331.379 3.852 1 0 EHAFMO Oc1cccc2c1O[C@@H]1[C@@H]3CCC[C@]21CC[N@H+]3CCc1ccccc1 ZINC000040860368 213394793 /nfs/dbraw/zinc/39/47/93/213394793.db2.gz YTPGCIDYPZFQSQ-BWAGFHJFSA-N 1 1 335.447 3.892 1 0 EHAFMO Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CC[N@H+]3CCc1ccccc1 ZINC000040392894 213296594 /nfs/dbraw/zinc/29/65/94/213296594.db2.gz QGADLXMTFNOCAX-WEYGHZABSA-N 1 1 335.447 3.892 1 0 EHAFMO COc1cc2c(cc1OC)[C@H]1Cc3cc4c(cc3[C@@H](C2)[N@@H+]1C)COC4 ZINC000095911399 291002524 /nfs/dbraw/zinc/00/25/24/291002524.db2.gz MPPFUYOJZILQFP-RTBURBONSA-N 1 1 337.419 3.560 1 0 biogenic,in-vitro EHAFMO COc1cc2c(cc1OC)[C@H]1Cc3cc4c(cc3[C@@H](C2)[N@H+]1C)COC4 ZINC000095911399 291002526 /nfs/dbraw/zinc/00/25/26/291002526.db2.gz MPPFUYOJZILQFP-RTBURBONSA-N 1 1 337.419 3.560 1 0 biogenic,in-vitro EHAFMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(O)cc1 ZINC000040380719 213294985 /nfs/dbraw/zinc/29/49/85/213294985.db2.gz ICVLUXYJYVIBNP-SFHVURJKSA-N 1 1 327.424 3.571 1 0 EHAFMO O[C@]1(c2ccc(Cl)cc2)CC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000040864120 213394548 /nfs/dbraw/zinc/39/45/48/213394548.db2.gz PVPFHWKNLSESPB-LJQANCHMSA-N 1 1 326.827 3.915 1 0 in-vitro EHAFMO C[NH+]1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 ZINC000036188442 213075831 /nfs/dbraw/zinc/07/58/31/213075831.db2.gz FSRSEANZUZHDHK-UHFFFAOYSA-N 1 1 327.815 3.771 1 0 EHAFMO NC(=[NH2+])c1ccc2nc(-c3cccc(OC4CCCC4)c3O)[nH]c2c1 ZINC000012354873 211354364 /nfs/dbraw/zinc/35/43/64/211354364.db2.gz WCFWDBPDMBXMTQ-UHFFFAOYSA-N 1 1 336.395 3.541 1 0 in-vivo EHAFMO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+](CCCC(F)(F)F)C1 ZINC000011706878 211238349 /nfs/dbraw/zinc/23/83/49/211238349.db2.gz RRCSZSGBLAYNSV-MRXNPFEDSA-N 1 1 333.369 3.785 3 0 EHAFMO CC[C@@H]1C[N@H+](Cc2ccc(COC)o2)Cc2cc(OC)ccc2O1 ZINC000011789119 211248162 /nfs/dbraw/zinc/24/81/62/211248162.db2.gz HYDVPNBSLQCELW-OAHLLOKOSA-N 1 1 331.412 3.608 1 0 EHAFMO CC[C@@H]1C[N@@H+](Cc2ccc(COC)o2)Cc2cc(OC)ccc2O1 ZINC000011789119 211248164 /nfs/dbraw/zinc/24/81/64/211248164.db2.gz HYDVPNBSLQCELW-OAHLLOKOSA-N 1 1 331.412 3.608 1 0 EHAFMO C[N@@H+]1C[C@@](O)(c2ccc(-c3ccccc3F)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169291110 529823955 /nfs/dbraw/zinc/82/39/55/529823955.db2.gz DVRJPNBGRUZGDS-HBMCJLEFSA-N 1 1 341.426 3.911 1 0 EHAFMO C[N@H+]1C[C@@](O)(c2ccc(-c3ccccc3F)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169291110 529823956 /nfs/dbraw/zinc/82/39/56/529823956.db2.gz DVRJPNBGRUZGDS-HBMCJLEFSA-N 1 1 341.426 3.911 1 0 EHAFMO CCOC(=O)CC1=[NH+][C@@](C)(c2ccccc2)c2ccccc2CN1C ZINC000100883593 219109923 /nfs/dbraw/zinc/10/99/23/219109923.db2.gz ATVQXTOQFFTBTC-NRFANRHFSA-N 1 1 336.435 3.747 1 0 EHAFMO C[N@H+]1CCC[C@H]1COc1cnc(Cl)c(/C=C/c2ccncc2)c1 ZINC000003827490 210077821 /nfs/dbraw/zinc/07/78/21/210077821.db2.gz RWKPRGCPWHRQIL-APHBUQMISA-N 1 1 329.831 3.773 1 0 in-vitro EHAFMO O[C@]1(c2ccc(Cl)cc2)CC[N@@H+](CCc2c[nH]c3ccccc23)C1 ZINC000040863438 213394903 /nfs/dbraw/zinc/39/49/03/213394903.db2.gz PRUAALOHVVCQPZ-HXUWFJFHSA-N 1 1 340.854 3.957 1 0 in-vitro EHAFMO CN1c2cscc2C(N2CC[NH+](C)CC2)=Nc2cc(Cl)ccc21 ZINC000039241380 213232916 /nfs/dbraw/zinc/23/29/16/213232916.db2.gz SQMAXHXDGPAQLM-UHFFFAOYSA-N 1 1 346.887 3.809 1 0 EHAFMO Oc1cccc2c1O[C@@H]1C[N@@H+](CCc3ccccc3)[C@@H]3CCC[C@]21C3 ZINC000072106676 216009784 /nfs/dbraw/zinc/00/97/84/216009784.db2.gz YAVRYNWSOHJIGG-ZNLUXHQJSA-N 1 1 335.447 3.892 1 0 EHAFMO C[N@H+]1CCCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 ZINC000022778615 212323561 /nfs/dbraw/zinc/32/35/61/212323561.db2.gz MTLBWLDYHWAFEN-MRXNPFEDSA-N 1 1 347.915 3.985 1 0 EHAFMO CCC[C@@H]1CC(=O)C[C@]23CC[N@@H+](C)[C@H](Cc4ccc(OC)cc42)[C@@H]13 ZINC000040843605 213393217 /nfs/dbraw/zinc/39/32/17/213393217.db2.gz JMRCYEFEEQSEKU-NMSZZDKCSA-N 1 1 327.468 3.589 1 0 EHAFMO CC[C@@H]1CC(=O)C[C@]23CC[N@@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000040818055 213389439 /nfs/dbraw/zinc/38/94/39/213389439.db2.gz RUNRCUXZMMKEMO-FPHUIIFBSA-N 1 1 339.479 3.676 1 0 EHAFMO Cc1ccc(-c2nc3cc(NC(=O)C[NH+]4CCCCC4)ccc3[nH]2)cc1 ZINC000072108795 216010866 /nfs/dbraw/zinc/01/08/66/216010866.db2.gz KTZOASDZBUOXAH-UHFFFAOYSA-N 1 1 348.450 3.963 1 0 EHAFMO CN1CC[NH+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000022937728 212337311 /nfs/dbraw/zinc/33/73/11/212337311.db2.gz BOFPIRRSGDHUCZ-AZUAARDMSA-N 1 1 328.406 3.789 1 0 EHAFMO