smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(Br)cc21 ZINC000001731586 536354512 /nfs/dbraw/zinc/35/45/12/536354512.db2.gz HGXSRQXHKMFKJM-MRXNPFEDSA-N 1 0 403.389 5.926 10 0 HKAERO CC(C)[NH+](C(C)C)P(OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1 ZINC000002562365 557731049 /nfs/dbraw/zinc/73/10/49/557731049.db2.gz OCQXCPQSBNWTOF-UHFFFAOYSA-N 1 0 414.313 7.073 10 0 in-vitro HKAERO c1ccc(-c2nc3ccccc3n2CCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000002577983 132255535 /nfs/dbraw/zinc/25/55/35/132255535.db2.gz KLOMSWJYCPUUCJ-UHFFFAOYSA-N 1 0 410.565 5.306 10 0 HKAERO CC[n+]1ccc(/C=C/C=C2/N(C)c3ccccc3C2(C)C)c2cc(C(=O)OC)ccc21 ZINC000003171326 557452752 /nfs/dbraw/zinc/45/27/52/557452752.db2.gz SRAYQGGAECEMKY-UHFFFAOYSA-N 1 0 413.541 5.259 10 0 HKAERO COc1cccc2cc(C)c(-c3c(OC)cc4c(c3OC)[C@@H](C)[N@@H+](C)[C@@H](C)C4)c(O)c21 ZINC000004654687 560198943 /nfs/dbraw/zinc/19/89/43/560198943.db2.gz BHQAJMGEYYHIGV-JKSUJKDBSA-N 1 0 421.537 5.484 10 0 in-vitro HKAERO CC(C)=CCC[C@@H](C)CC[NH2+]C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000004666708 557578701 /nfs/dbraw/zinc/57/87/01/557578701.db2.gz GFNAIMIAENVOOC-QVDUQQMDSA-N 1 0 423.729 8.183 10 0 HKAERO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[N@H+](C)[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004743444 560199822 /nfs/dbraw/zinc/19/98/22/560199822.db2.gz GWWAUGFEXKPHIM-OXKYWHGHSA-N 1 0 401.723 7.790 10 0 in-vitro HKAERO C[N@@H+]1CCCC[C@H]1CCN1c2ccccc2Sc2ccc(Br)cc21 ZINC000005011699 536357521 /nfs/dbraw/zinc/35/75/21/536357521.db2.gz HGXSRQXHKMFKJM-INIZCTEOSA-N 1 0 403.389 5.926 10 0 HKAERO Cc1ccccc1N1CC[NH+](CCCn2c3ccccc3c3c2CCCCCC3)CC1 ZINC000005161311 132303483 /nfs/dbraw/zinc/30/34/83/132303483.db2.gz PQKJZCYHAHPELQ-UHFFFAOYSA-N 1 0 415.625 5.821 10 0 HKAERO C/C(=C\c1nsc(Nc2ccc(Cl)cc2)n1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000005909334 557680595 /nfs/dbraw/zinc/68/05/95/557680595.db2.gz BTYJBTPYTQOMOI-JLHYYAGUSA-N 1 0 405.999 5.195 10 0 HKAERO CC1(C)CC(N(Cc2ccncc2)C(=S)Nc2cccc(Cl)c2)CC(C)(C)[NH2+]1 ZINC000005945425 557681784 /nfs/dbraw/zinc/68/17/84/557681784.db2.gz BIOGPPSBHUDRFV-UHFFFAOYSA-N 1 0 417.022 5.243 10 0 HKAERO CCN1C(=C/C=C\C=C\C=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 ZINC000006247104 535425813 /nfs/dbraw/zinc/42/58/13/535425813.db2.gz PCMCPHHEWAWVOE-UHFFFAOYSA-N 1 0 405.565 6.710 10 0 HKAERO CCc1ccccc1NC(=S)N(Cc1cccs1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000006286430 557697996 /nfs/dbraw/zinc/69/79/96/557697996.db2.gz ARZIYOMYTWXKLP-UHFFFAOYSA-N 1 0 415.672 5.819 10 0 HKAERO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCCn2ccnc2)cc1 ZINC000010314000 557859127 /nfs/dbraw/zinc/85/91/27/557859127.db2.gz XVSNKFFZXANUJZ-UHFFFAOYSA-N 1 0 405.929 5.449 10 0 HKAERO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCCn1ccnc1 ZINC000010314001 557859380 /nfs/dbraw/zinc/85/93/80/557859380.db2.gz RAWINISAWFEKEP-UHFFFAOYSA-N 1 0 405.929 5.449 10 0 HKAERO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000010314121 557859366 /nfs/dbraw/zinc/85/93/66/557859366.db2.gz HXRNXGIVGPVHST-UHFFFAOYSA-N 1 0 404.341 5.257 10 0 HKAERO CCOc1cc(C[NH2+]CCCn2ccnc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000010314127 557859463 /nfs/dbraw/zinc/85/94/63/557859463.db2.gz HXVYWBUHCCKOPJ-UHFFFAOYSA-N 1 0 413.949 5.003 10 0 HKAERO CCC[C@H]([NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 ZINC000010315451 557859491 /nfs/dbraw/zinc/85/94/91/557859491.db2.gz AESMQPNVEVPNBE-VWLOTQADSA-N 1 0 402.969 6.974 10 0 HKAERO CCC[C@@H]([NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 ZINC000010315452 557859529 /nfs/dbraw/zinc/85/95/29/557859529.db2.gz AESMQPNVEVPNBE-RUZDIDTESA-N 1 0 402.969 6.974 10 0 HKAERO Cc1c(C[NH2+]Cc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315467 557859438 /nfs/dbraw/zinc/85/94/38/557859438.db2.gz ZLLQGMJHYZPQAU-UHFFFAOYSA-N 1 0 409.360 6.595 10 0 HKAERO Cc1c(C[NH2+]C2CCCCC2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315470 557859474 /nfs/dbraw/zinc/85/94/74/557859474.db2.gz SNJIUYMGHYESKU-UHFFFAOYSA-N 1 0 401.381 6.727 10 0 HKAERO Cc1c(C[NH2+]C23CC4CC(CC(C4)C2)C3)c2ccccc2n1Cc1ccccc1Cl ZINC000010315477 557859688 /nfs/dbraw/zinc/85/96/88/557859688.db2.gz SSCCOVZQCIBABS-UHFFFAOYSA-N 1 0 419.012 6.710 10 0 HKAERO Cc1c(C[NH2+]C2C3CC4CC(C3)CC2C4)c2ccccc2n1Cc1ccccc1Cl ZINC000010315486 557859643 /nfs/dbraw/zinc/85/96/43/557859643.db2.gz LMIFEXUPPDCEFX-UHFFFAOYSA-N 1 0 419.012 6.566 10 0 HKAERO Cc1c(C[NH2+][C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315501 557859656 /nfs/dbraw/zinc/85/96/56/557859656.db2.gz BIXQBFRBYGWAAC-KRWDZBQOSA-N 1 0 423.387 7.156 10 0 HKAERO Cc1c(C[NH2+][C@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315502 557859665 /nfs/dbraw/zinc/85/96/65/557859665.db2.gz BIXQBFRBYGWAAC-QGZVFWFLSA-N 1 0 423.387 7.156 10 0 HKAERO Cc1c(C[NH2+]Cc2ccccc2Cl)c2ccccc2n1Cc1ccccc1Cl ZINC000010315513 557859668 /nfs/dbraw/zinc/85/96/68/557859668.db2.gz BIFRZOPSNVFDFB-UHFFFAOYSA-N 1 0 409.360 6.595 10 0 HKAERO Clc1ccc(Cn2cc(C[NH2+]CCc3ccccc3)c3ccccc32)c(Cl)c1 ZINC000010315514 557859629 /nfs/dbraw/zinc/85/96/29/557859629.db2.gz KEKIIMXVUPBWTC-UHFFFAOYSA-N 1 0 409.360 6.329 10 0 HKAERO Cc1c(C[NH2+]CCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315515 557859650 /nfs/dbraw/zinc/85/96/50/557859650.db2.gz CCSPKUUNINCQGR-UHFFFAOYSA-N 1 0 423.387 6.637 10 0 HKAERO Cc1c(C[NH2+]C[C@@H]2CCCO2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315540 557859628 /nfs/dbraw/zinc/85/96/28/557859628.db2.gz DSIROWWCZAEZDY-SFHVURJKSA-N 1 0 403.353 5.573 10 0 HKAERO Cc1c(C[NH2+]C[C@H]2CCCO2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315541 557859704 /nfs/dbraw/zinc/85/97/04/557859704.db2.gz DSIROWWCZAEZDY-GOSISDBHSA-N 1 0 403.353 5.573 10 0 HKAERO Cc1c(C[NH2+]Cc2cccs2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315545 557859671 /nfs/dbraw/zinc/85/96/71/557859671.db2.gz IDKYUKKTAOKMSB-UHFFFAOYSA-N 1 0 415.389 6.656 10 0 HKAERO CCCCCC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315572 557859653 /nfs/dbraw/zinc/85/96/53/557859653.db2.gz RGDDDVPWERQSPW-UHFFFAOYSA-N 1 0 403.397 6.975 10 0 HKAERO Cc1c(C[NH2+]CCc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315622 557859651 /nfs/dbraw/zinc/85/96/51/557859651.db2.gz IMJRLNDBDYQCIF-UHFFFAOYSA-N 1 0 406.932 6.123 10 0 HKAERO Fc1ccc(C[NH2+]Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 ZINC000010315626 557859675 /nfs/dbraw/zinc/85/96/75/557859675.db2.gz HSZZZNDIZYNCCV-UHFFFAOYSA-N 1 0 413.323 6.425 10 0 HKAERO Clc1ccc(Cn2cc(C[NH2+]C3CCCCCC3)c3ccccc32)c(Cl)c1 ZINC000010315644 557859620 /nfs/dbraw/zinc/85/96/20/557859620.db2.gz JKXVYKPZDWWVFK-UHFFFAOYSA-N 1 0 401.381 6.809 10 0 HKAERO Cc1c(C[NH2+]C2CCCCCC2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315645 557859634 /nfs/dbraw/zinc/85/96/34/557859634.db2.gz YRGUCJJXOHWEPS-UHFFFAOYSA-N 1 0 415.408 7.117 10 0 HKAERO CC(C)(C)CC(C)(C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315650 557859636 /nfs/dbraw/zinc/85/96/36/557859636.db2.gz IYAQVQKFNGWWDZ-UHFFFAOYSA-N 1 0 417.424 7.301 10 0 HKAERO Clc1ccc(Cn2cc(C[NH2+]C3CCCCCCC3)c3ccccc32)c(Cl)c1 ZINC000010315653 557859648 /nfs/dbraw/zinc/85/96/48/557859648.db2.gz MHJNPIUGCHXJAD-UHFFFAOYSA-N 1 0 415.408 7.199 10 0 HKAERO Cc1c(C[NH2+]Cc2ccc(C)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315660 557859624 /nfs/dbraw/zinc/85/96/24/557859624.db2.gz IYIHOOGAFBPEQP-UHFFFAOYSA-N 1 0 423.387 6.903 10 0 HKAERO COc1ccc(C[NH2+]Cc2c(C)n(Cc3ccccc3Cl)c3ccccc32)cc1 ZINC000010315664 557859638 /nfs/dbraw/zinc/85/96/38/557859638.db2.gz PYEPUVDUSKYABE-UHFFFAOYSA-N 1 0 404.941 5.950 10 0 HKAERO CC(C)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010435766 560769233 /nfs/dbraw/zinc/76/92/33/560769233.db2.gz FUIDFMCRVFPLCO-UHFFFAOYSA-N 1 0 413.153 5.289 10 0 HKAERO CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000010435930 560769201 /nfs/dbraw/zinc/76/92/01/560769201.db2.gz NMPZHADKJMNEOH-UHFFFAOYSA-N 1 0 412.755 5.578 10 0 HKAERO CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccccc1Cl ZINC000010435938 560769190 /nfs/dbraw/zinc/76/91/90/560769190.db2.gz NRBRLMNLNDMEDA-UHFFFAOYSA-N 1 0 412.755 5.578 10 0 HKAERO CC(C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000010435944 560769192 /nfs/dbraw/zinc/76/91/92/560769192.db2.gz BXVGBVPNUKMRSV-UHFFFAOYSA-N 1 0 403.147 5.833 10 0 HKAERO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000010435985 568416363 /nfs/dbraw/zinc/41/63/63/568416363.db2.gz HESGPXDYEBCHKV-UHFFFAOYSA-N 1 0 402.749 6.123 10 0 HKAERO COc1cc(Br)cc(C[NH2+]Cc2ccccc2)c1OCc1ccccc1 ZINC000010436499 560769236 /nfs/dbraw/zinc/76/92/36/560769236.db2.gz FTGWXRMJRHQHNG-UHFFFAOYSA-N 1 0 412.327 5.327 10 0 HKAERO COc1cc(Br)cc(C[NH2+]C2CCCCC2)c1OCc1ccccc1 ZINC000010436512 568416270 /nfs/dbraw/zinc/41/62/70/568416270.db2.gz IJMAQRIVNLQYFM-UHFFFAOYSA-N 1 0 404.348 5.459 10 0 HKAERO COc1cc(Cl)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 ZINC000010436541 568416328 /nfs/dbraw/zinc/41/63/28/568416328.db2.gz RBPMLQYVNVBHRH-UHFFFAOYSA-N 1 0 411.973 5.986 10 0 HKAERO COc1cc(Cl)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccccc1 ZINC000010436588 568416317 /nfs/dbraw/zinc/41/63/17/568416317.db2.gz SOPBYASIZZEXQI-UHFFFAOYSA-N 1 0 411.973 5.842 10 0 HKAERO CCOc1c(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)cc1OC ZINC000010436603 568416357 /nfs/dbraw/zinc/41/63/57/568416357.db2.gz SFSPIDAOXVNDFF-UBWJNLJSSA-N 1 0 422.407 5.695 10 0 HKAERO C[C@]12CC3CC([NH2+]Cc4ccc(OCc5ccccc5)c(Cl)c4)(C1)C[C@@](C)(C3)C2 ZINC000010436615 568416314 /nfs/dbraw/zinc/41/63/14/568416314.db2.gz MATHVQBFGBQXPF-MVJOHORYSA-N 1 0 410.001 6.758 10 0 HKAERO COc1cc(Br)cc(C[NH2+]Cc2cccs2)c1OCc1ccccc1 ZINC000010474532 558257973 /nfs/dbraw/zinc/25/79/73/558257973.db2.gz HIRKPMBRSXOPHF-UHFFFAOYSA-N 1 0 418.356 5.388 10 0 HKAERO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1OC ZINC000010474650 558257909 /nfs/dbraw/zinc/25/79/09/558257909.db2.gz ZYKXFUFADMYQHZ-UHFFFAOYSA-N 1 0 411.929 5.269 10 0 HKAERO CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474785 560769555 /nfs/dbraw/zinc/76/95/55/560769555.db2.gz VLHZDYMNPZNATK-UHFFFAOYSA-N 1 0 413.153 5.290 10 0 HKAERO CCCCCC[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010474838 558258037 /nfs/dbraw/zinc/25/80/37/558258037.db2.gz UISWWQVPGFMAJV-UHFFFAOYSA-N 1 0 406.364 5.707 10 0 HKAERO COc1ccc(CC[NH2+]Cc2cc(Cl)cc(OC)c2OCc2ccccc2)cc1 ZINC000010475197 558258203 /nfs/dbraw/zinc/25/82/03/558258203.db2.gz WRVMSUGJFIPLLQ-UHFFFAOYSA-N 1 0 411.929 5.269 10 0 HKAERO COc1cc(Cl)cc(C[NH2+]CCc2c[nH]c3ccccc23)c1OCc1ccccc1 ZINC000010475272 558258188 /nfs/dbraw/zinc/25/81/88/558258188.db2.gz JKTVUGKLPCLQFV-UHFFFAOYSA-N 1 0 420.940 5.741 10 0 HKAERO Brc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1ccccc1 ZINC000010475294 560769580 /nfs/dbraw/zinc/76/95/80/560769580.db2.gz MKLWVIUZWQVRNE-UHFFFAOYSA-N 1 0 411.137 5.043 10 0 HKAERO COc1cc(Br)cc(C[NH2+]C2CCCCCC2)c1OCc1ccccc1 ZINC000010475304 558258263 /nfs/dbraw/zinc/25/82/63/558258263.db2.gz IGFVHHNHPJVRFG-UHFFFAOYSA-N 1 0 418.375 5.849 10 0 HKAERO CCOc1c(Br)cc(C[NH2+]C2CCCCCC2)cc1Br ZINC000010475311 560769588 /nfs/dbraw/zinc/76/95/88/560769588.db2.gz SUCRFBRGBSKZAR-UHFFFAOYSA-N 1 0 405.174 5.423 10 0 HKAERO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010475339 558258209 /nfs/dbraw/zinc/25/82/09/558258209.db2.gz JTRUMQOFSXHKJP-UHFFFAOYSA-N 1 0 404.392 6.333 10 0 HKAERO CCOc1c(Br)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Br ZINC000010475342 560769591 /nfs/dbraw/zinc/76/95/91/560769591.db2.gz WYQMMYZXZUISHV-UHFFFAOYSA-N 1 0 421.217 5.915 10 0 HKAERO Brc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccccc1 ZINC000010475356 558258223 /nfs/dbraw/zinc/25/82/23/558258223.db2.gz ABKWFELBAPVYBU-UHFFFAOYSA-N 1 0 402.376 6.231 10 0 HKAERO CCOc1c(Br)cc(C[NH2+]C2CCCCCCC2)cc1Br ZINC000010475358 560769563 /nfs/dbraw/zinc/76/95/63/560769563.db2.gz KKMPUNMUBDBJIW-UHFFFAOYSA-N 1 0 419.201 5.813 10 0 HKAERO CCOc1c(Br)cc(C[NH2+]Cc2ccc(C)cc2)cc1Br ZINC000010475388 560769594 /nfs/dbraw/zinc/76/95/94/560769594.db2.gz KSZVPGLSIOCCQG-UHFFFAOYSA-N 1 0 413.153 5.209 10 0 HKAERO COc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000010475398 558258289 /nfs/dbraw/zinc/25/82/89/558258289.db2.gz CKFBQWYCUGEWKK-UHFFFAOYSA-N 1 0 412.327 5.327 10 0 HKAERO CC(C)C[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000011753382 559257573 /nfs/dbraw/zinc/25/75/73/559257573.db2.gz WHYIJYZMPIUPPP-MRXNPFEDSA-N 1 0 403.958 5.252 10 0 HKAERO CC(C)C[C@H](C)[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000011753383 559257618 /nfs/dbraw/zinc/25/76/18/559257618.db2.gz WHYIJYZMPIUPPP-INIZCTEOSA-N 1 0 403.958 5.252 10 0 HKAERO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000011841901 559261704 /nfs/dbraw/zinc/26/17/04/559261704.db2.gz MMIIXDXEACSDTD-UHFFFAOYSA-N 1 0 405.567 5.093 10 0 HKAERO COc1ccc2cc(C[NH2+]CCc3c[nH]c4ccccc34)c(-c3ccsc3)nc2c1 ZINC000012078067 560888758 /nfs/dbraw/zinc/88/87/58/560888758.db2.gz JZLBZTFWPHRTTA-UHFFFAOYSA-N 1 0 413.546 5.786 10 0 HKAERO CCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(-c4cccc(Cl)c4)o3)CC[C@@H]21 ZINC000012209222 558353564 /nfs/dbraw/zinc/35/35/64/558353564.db2.gz VEJTVUAKDSNFAC-NQIIRXRSSA-N 1 0 400.950 5.213 10 0 HKAERO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2F)nc1-c1ccc(OC)cc1)c1ccncc1 ZINC000012434736 558408668 /nfs/dbraw/zinc/40/86/68/558408668.db2.gz PSWDLDMZYRCOHN-HSZRJFAPSA-N 1 0 416.500 5.323 10 0 HKAERO CC[C@H]([NH2+]Cc1cn(-c2ccccc2F)nc1-c1ccc(OC)cc1)c1ccncc1 ZINC000012434737 558408561 /nfs/dbraw/zinc/40/85/61/558408561.db2.gz PSWDLDMZYRCOHN-QHCPKHFHSA-N 1 0 416.500 5.323 10 0 HKAERO Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccco2)C1 ZINC000012603408 291298067 /nfs/dbraw/zinc/29/80/67/291298067.db2.gz AVWKGOPLAKMQRG-SJLPKXTDSA-N 1 0 412.331 5.047 10 0 HKAERO CCOc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccc(Cl)cc1Cl ZINC000013717483 558580347 /nfs/dbraw/zinc/58/03/47/558580347.db2.gz GCVVANPSRCFXBC-SFHVURJKSA-N 1 0 410.341 5.240 10 0 HKAERO CCOc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccc(Cl)cc1Cl ZINC000013717485 558580312 /nfs/dbraw/zinc/58/03/12/558580312.db2.gz GCVVANPSRCFXBC-GOSISDBHSA-N 1 0 410.341 5.240 10 0 HKAERO CCOc1cccc(C[NH2+]Cc2cccs2)c1OCc1ccc(Cl)cc1Cl ZINC000013717491 558580276 /nfs/dbraw/zinc/58/02/76/558580276.db2.gz XJUZLGRUXNLSSU-UHFFFAOYSA-N 1 0 422.377 6.322 10 0 HKAERO CCOCCC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000013717509 558580227 /nfs/dbraw/zinc/58/02/27/558580227.db2.gz UAXKXAYASPVTMJ-UHFFFAOYSA-N 1 0 412.357 5.487 10 0 HKAERO CCCCCC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000013717538 558580247 /nfs/dbraw/zinc/58/02/47/558580247.db2.gz BNPDMXSKZRDPKN-UHFFFAOYSA-N 1 0 410.385 6.641 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013718603 558580594 /nfs/dbraw/zinc/58/05/94/558580594.db2.gz QLLJISLWLILLML-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013718620 558580633 /nfs/dbraw/zinc/58/06/33/558580633.db2.gz JNUBMRKVLKIWMJ-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000013718627 558580612 /nfs/dbraw/zinc/58/06/12/558580612.db2.gz LRLJSTHCJLXIFF-UHFFFAOYSA-N 1 0 411.929 5.269 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000013718631 558580608 /nfs/dbraw/zinc/58/06/08/558580608.db2.gz OTNLAINNMPIBMW-UHFFFAOYSA-N 1 0 411.929 5.269 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000013718658 558580586 /nfs/dbraw/zinc/58/05/86/558580586.db2.gz VNCSZVDWEINOKV-UHFFFAOYSA-N 1 0 411.929 5.269 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000013718663 558580554 /nfs/dbraw/zinc/58/05/54/558580554.db2.gz IGCOZJVBFYQKNT-UHFFFAOYSA-N 1 0 411.929 5.269 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013718802 558580549 /nfs/dbraw/zinc/58/05/49/558580549.db2.gz SKFRHFKNKZDXNQ-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000013718879 558580535 /nfs/dbraw/zinc/58/05/35/558580535.db2.gz RHTULJWLLHWGDW-UHFFFAOYSA-N 1 0 411.929 5.269 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013718905 558580544 /nfs/dbraw/zinc/58/05/44/558580544.db2.gz XDVVQNJDCKLXNU-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013718910 558580575 /nfs/dbraw/zinc/58/05/75/558580575.db2.gz HGFZXMLAJXKNHQ-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013718959 558580839 /nfs/dbraw/zinc/58/08/39/558580839.db2.gz DVWIIMXVJUZYKR-UHFFFAOYSA-N 1 0 415.508 5.899 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013718963 558580786 /nfs/dbraw/zinc/58/07/86/558580786.db2.gz CQACQPLBWQDFMX-UHFFFAOYSA-N 1 0 415.508 5.899 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000013719074 558580741 /nfs/dbraw/zinc/58/07/41/558580741.db2.gz NLLXBYQXRYNSJH-UHFFFAOYSA-N 1 0 411.929 5.269 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000013719248 558580819 /nfs/dbraw/zinc/58/08/19/558580819.db2.gz WZYYXWVKTDLNAW-UHFFFAOYSA-N 1 0 411.545 6.068 10 0 HKAERO CCOc1cc(C[NH2+]CCc2ccccc2OC)ccc1OCc1ccc(C)cc1 ZINC000013719253 558580793 /nfs/dbraw/zinc/58/07/93/558580793.db2.gz JWCGDDBIEORFIQ-UHFFFAOYSA-N 1 0 405.538 5.314 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013719288 558580814 /nfs/dbraw/zinc/58/08/14/558580814.db2.gz JNUXBHYDYWQGPL-UHFFFAOYSA-N 1 0 420.734 5.703 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000013719291 558580772 /nfs/dbraw/zinc/58/07/72/558580772.db2.gz XBGHWJQRNPBANY-UHFFFAOYSA-N 1 0 400.316 5.358 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000013719295 558580746 /nfs/dbraw/zinc/58/07/46/558580746.db2.gz YVBIAXYTNBZZJC-UHFFFAOYSA-N 1 0 400.316 5.358 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013719326 558580805 /nfs/dbraw/zinc/58/08/05/558580805.db2.gz AFYYJRUZTIYPDV-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013719335 558580769 /nfs/dbraw/zinc/58/07/69/558580769.db2.gz ILDUIBNUCQKJGB-UHFFFAOYSA-N 1 0 404.941 5.684 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc21 ZINC000013719351 558580781 /nfs/dbraw/zinc/58/07/81/558580781.db2.gz UCZHFUYYCDVRSR-UHFFFAOYSA-N 1 0 418.968 5.992 10 0 HKAERO COc1ccccc1CC[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000013719366 558580833 /nfs/dbraw/zinc/58/08/33/558580833.db2.gz MBTLLLQPJFTFNQ-UHFFFAOYSA-N 1 0 411.929 5.269 10 0 HKAERO CCOc1cccc(C[NH2+]CCc2ccccc2OC)c1OCc1ccccc1F ZINC000013719424 558580988 /nfs/dbraw/zinc/58/09/88/558580988.db2.gz HTHWYJKQQWCTKS-UHFFFAOYSA-N 1 0 409.501 5.144 10 0 HKAERO CCCCOCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000013719564 558581054 /nfs/dbraw/zinc/58/10/54/558581054.db2.gz DZQZVPRDANDAOY-UHFFFAOYSA-N 1 0 411.973 6.369 10 0 HKAERO CCCCOCCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000013719568 558581047 /nfs/dbraw/zinc/58/10/47/558581047.db2.gz KAPZCBSSDJYDQE-UHFFFAOYSA-N 1 0 411.973 6.369 10 0 HKAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000013719620 558581049 /nfs/dbraw/zinc/58/10/49/558581049.db2.gz PVEINSYUZSCJSV-UHFFFAOYSA-N 1 0 405.966 5.614 10 0 HKAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OCC)c1 ZINC000013719624 558581011 /nfs/dbraw/zinc/58/10/11/558581011.db2.gz ZNIKEFYLTKYPCH-UHFFFAOYSA-N 1 0 405.966 5.614 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000013719645 558581029 /nfs/dbraw/zinc/58/10/29/558581029.db2.gz SWQMAILRVWSHCJ-UHFFFAOYSA-N 1 0 406.364 5.325 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000013719697 558581021 /nfs/dbraw/zinc/58/10/21/558581021.db2.gz VVKUAFLSRHIZCK-UHFFFAOYSA-N 1 0 424.354 5.464 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000013719710 558580981 /nfs/dbraw/zinc/58/09/81/558580981.db2.gz SZDSJHULWLILGE-UHFFFAOYSA-N 1 0 424.354 5.464 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000013719728 558580979 /nfs/dbraw/zinc/58/09/79/558580979.db2.gz LKOVEWBYHOWSAF-UHFFFAOYSA-N 1 0 405.966 5.614 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000013719743 558581000 /nfs/dbraw/zinc/58/10/00/558581000.db2.gz PRRRTECOQQSOMY-UHFFFAOYSA-N 1 0 423.956 5.753 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000013719747 558581026 /nfs/dbraw/zinc/58/10/26/558581026.db2.gz CPQWDPYMZTWEEJ-UHFFFAOYSA-N 1 0 423.956 5.753 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000013719768 558581018 /nfs/dbraw/zinc/58/10/18/558581018.db2.gz BPKZTORWFQOMSR-UHFFFAOYSA-N 1 0 409.929 5.363 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000013719772 558581157 /nfs/dbraw/zinc/58/11/57/558581157.db2.gz ANSLBBQZGZXUNY-UHFFFAOYSA-N 1 0 409.929 5.363 10 0 HKAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000013719946 558581187 /nfs/dbraw/zinc/58/11/87/558581187.db2.gz FRBXJNWWSKCNGR-UHFFFAOYSA-N 1 0 409.929 5.363 10 0 HKAERO CCCCOCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000013719949 558581238 /nfs/dbraw/zinc/58/12/38/558581238.db2.gz WEBHSQQMRYCRCG-UHFFFAOYSA-N 1 0 409.929 5.363 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013720067 558581200 /nfs/dbraw/zinc/58/12/00/558581200.db2.gz LFQQKVDXHMYRPJ-UHFFFAOYSA-N 1 0 410.385 6.177 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000013720078 558581178 /nfs/dbraw/zinc/58/11/78/558581178.db2.gz YCOINBWAOPGOPB-UHFFFAOYSA-N 1 0 420.391 5.633 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1 ZINC000013720085 558581222 /nfs/dbraw/zinc/58/12/22/558581222.db2.gz IDOOUCGXOXQFTH-UHFFFAOYSA-N 1 0 419.993 5.923 10 0 HKAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000013720088 558581270 /nfs/dbraw/zinc/58/12/70/558581270.db2.gz VLDKMPMZWNBRMG-UHFFFAOYSA-N 1 0 405.966 5.532 10 0 HKAERO CCCCOCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013720094 558581170 /nfs/dbraw/zinc/58/11/70/558581170.db2.gz NLCHOLVDRLEICK-UHFFFAOYSA-N 1 0 400.744 5.659 10 0 HKAERO CCCCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000013720111 558581195 /nfs/dbraw/zinc/58/11/95/558581195.db2.gz MNATZQHPYOZJKW-UHFFFAOYSA-N 1 0 409.929 5.363 10 0 HKAERO CCCCOCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013720139 558581361 /nfs/dbraw/zinc/58/13/61/558581361.db2.gz XWMBLWJUNAIPOP-UHFFFAOYSA-N 1 0 419.396 6.293 10 0 HKAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000013720166 558581485 /nfs/dbraw/zinc/58/14/85/558581485.db2.gz HCXPZGKNDKBHQI-UHFFFAOYSA-N 1 0 406.364 5.325 10 0 HKAERO CCCCOCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1Cl ZINC000013720191 558581405 /nfs/dbraw/zinc/58/14/05/558581405.db2.gz IBEZXKZJNKTYLV-UHFFFAOYSA-N 1 0 405.966 5.614 10 0 HKAERO CCCCOCCC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1 ZINC000013720200 558581437 /nfs/dbraw/zinc/58/14/37/558581437.db2.gz DJVJIZFJLNXNLI-UHFFFAOYSA-N 1 0 405.966 5.614 10 0 HKAERO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013720253 558581398 /nfs/dbraw/zinc/58/13/98/558581398.db2.gz PNHVTHJINCJHCE-UHFFFAOYSA-N 1 0 402.321 5.871 10 0 HKAERO COc1ccccc1C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000013720300 558581446 /nfs/dbraw/zinc/58/14/46/558581446.db2.gz VMMZHNQDTVCPNM-UHFFFAOYSA-N 1 0 417.936 6.371 10 0 HKAERO COc1ccccc1C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000013720303 558581365 /nfs/dbraw/zinc/58/13/65/558581365.db2.gz KVOZEWQCIBOBDO-UHFFFAOYSA-N 1 0 417.936 6.371 10 0 HKAERO CCOc1cc(C[NH2+]Cc2ccccc2OC)ccc1OCc1ccc(Cl)cc1 ZINC000013720347 558581427 /nfs/dbraw/zinc/58/14/27/558581427.db2.gz GVMGHTDZJRIQRZ-UHFFFAOYSA-N 1 0 411.929 5.616 10 0 HKAERO CCOc1cc(C[NH2+]Cc2ccccc2OC)ccc1OCc1ccccc1Cl ZINC000013720350 558581375 /nfs/dbraw/zinc/58/13/75/558581375.db2.gz NFIBVDRBJWIAHI-UHFFFAOYSA-N 1 0 411.929 5.616 10 0 HKAERO COc1ccccc1C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013720396 558581346 /nfs/dbraw/zinc/58/13/46/558581346.db2.gz GIDNPHYGCLTJAM-UHFFFAOYSA-N 1 0 402.321 5.871 10 0 HKAERO CCOc1cc(C[NH2+]Cc2ccccc2OC)cc(Cl)c1OCc1ccccc1 ZINC000013720429 558581354 /nfs/dbraw/zinc/58/13/54/558581354.db2.gz SVOAFWBZCBPJLE-UHFFFAOYSA-N 1 0 411.929 5.616 10 0 HKAERO COc1ccccc1C[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000013720464 558581477 /nfs/dbraw/zinc/58/14/77/558581477.db2.gz KFUWTMSFTGMQHQ-UHFFFAOYSA-N 1 0 415.892 5.365 10 0 HKAERO COc1ccccc1C[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000013720467 558581618 /nfs/dbraw/zinc/58/16/18/558581618.db2.gz DICGICUAFJUNDL-UHFFFAOYSA-N 1 0 415.892 5.365 10 0 HKAERO COc1ccccc1C[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013720507 558581602 /nfs/dbraw/zinc/58/16/02/558581602.db2.gz AAGPFLJEVVIXJO-UHFFFAOYSA-N 1 0 401.481 5.856 10 0 HKAERO COc1ccccc1C[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013720511 558581629 /nfs/dbraw/zinc/58/16/29/558581629.db2.gz OXRZOXQPCVPHPU-UHFFFAOYSA-N 1 0 401.481 5.856 10 0 HKAERO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000013720596 558581682 /nfs/dbraw/zinc/58/16/82/558581682.db2.gz UPEWXFXLKSPXDE-UHFFFAOYSA-N 1 0 415.892 5.365 10 0 HKAERO COc1ccccc1C[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000013720599 558581701 /nfs/dbraw/zinc/58/17/01/558581701.db2.gz STIALLNSINLZCX-UHFFFAOYSA-N 1 0 415.892 5.365 10 0 HKAERO COc1ccccc1C[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000013720747 558581647 /nfs/dbraw/zinc/58/16/47/558581647.db2.gz ISVAQKXFMXYNOY-UHFFFAOYSA-N 1 0 411.929 5.534 10 0 HKAERO COc1ccccc1C[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013720787 558581843 /nfs/dbraw/zinc/58/18/43/558581843.db2.gz AZRFRZUJAPXDLL-UHFFFAOYSA-N 1 0 402.321 5.871 10 0 HKAERO COc1ccccc1C[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc21 ZINC000013720805 558581883 /nfs/dbraw/zinc/58/18/83/558581883.db2.gz ULOSYCOZPOYITJ-UHFFFAOYSA-N 1 0 404.941 5.950 10 0 HKAERO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000013720826 558581920 /nfs/dbraw/zinc/58/19/20/558581920.db2.gz UPOCHQRDVFTGRD-UHFFFAOYSA-N 1 0 412.327 5.327 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000013720901 558581847 /nfs/dbraw/zinc/58/18/47/558581847.db2.gz UOLYWZRVNZYODT-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000013720912 558581864 /nfs/dbraw/zinc/58/18/64/558581864.db2.gz IBMYNCMOUMEVEW-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000013720918 558581911 /nfs/dbraw/zinc/58/19/11/558581911.db2.gz HFCRHHHKWKWYQI-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000013720921 558581824 /nfs/dbraw/zinc/58/18/24/558581824.db2.gz LMORHHIJWPMMRI-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1 ZINC000013720941 558581913 /nfs/dbraw/zinc/58/19/13/558581913.db2.gz BVZUDXNYLBBEEF-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1OCc1ccccc1Cl ZINC000013720945 558581802 /nfs/dbraw/zinc/58/18/02/558581802.db2.gz XRPCTOHMWREUNT-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000013720951 558581868 /nfs/dbraw/zinc/58/18/68/558581868.db2.gz FFWGFKXIZOWNLC-UHFFFAOYSA-N 1 0 401.937 6.405 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000013721051 558581918 /nfs/dbraw/zinc/58/19/18/558581918.db2.gz IHDGQDAQUANZAH-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 ZINC000013721106 558581821 /nfs/dbraw/zinc/58/18/21/558581821.db2.gz VARKNWCGAKUPSA-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000013721128 558581859 /nfs/dbraw/zinc/58/18/59/558581859.db2.gz OMUMNVKIXHGZRF-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000013721132 558581833 /nfs/dbraw/zinc/58/18/33/558581833.db2.gz UZLRSZUNQIMERY-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013721138 558581889 /nfs/dbraw/zinc/58/18/89/558581889.db2.gz VIXUQAICKNKXEN-UHFFFAOYSA-N 1 0 404.312 6.044 10 0 HKAERO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013721141 558581828 /nfs/dbraw/zinc/58/18/28/558581828.db2.gz XBAJXFNSOZJNTK-UHFFFAOYSA-N 1 0 404.312 6.044 10 0 HKAERO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013721167 558582062 /nfs/dbraw/zinc/58/20/62/558582062.db2.gz XTDJCYKZIFIERQ-UHFFFAOYSA-N 1 0 419.927 6.544 10 0 HKAERO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013721170 558582120 /nfs/dbraw/zinc/58/21/20/558582120.db2.gz FMLNWNSODXCQDQ-UHFFFAOYSA-N 1 0 419.927 6.544 10 0 HKAERO CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(Br)c1OCC ZINC000013721196 558582171 /nfs/dbraw/zinc/58/21/71/558582171.db2.gz RXNBAVAFJBILFI-UHFFFAOYSA-N 1 0 412.755 5.232 10 0 HKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 ZINC000013721258 558582175 /nfs/dbraw/zinc/58/21/75/558582175.db2.gz HWWLMEGZNDJSAH-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)nc1 ZINC000013721261 558582066 /nfs/dbraw/zinc/58/20/66/558582066.db2.gz FDDHNKCJVFYTNT-UHFFFAOYSA-N 1 0 417.336 5.308 10 0 HKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013721389 558582159 /nfs/dbraw/zinc/58/21/59/558582159.db2.gz WDGNLOSXAWGSTO-UHFFFAOYSA-N 1 0 415.964 6.713 10 0 HKAERO CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 ZINC000013721392 558582117 /nfs/dbraw/zinc/58/21/17/558582117.db2.gz CIXVATYAPLEFES-UHFFFAOYSA-N 1 0 409.957 5.958 10 0 HKAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013721410 558582148 /nfs/dbraw/zinc/58/21/48/558582148.db2.gz NMDQTJHIOZPXIB-UHFFFAOYSA-N 1 0 400.349 6.213 10 0 HKAERO Cc1cc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3)o2)ccc1Br ZINC000013721416 558582155 /nfs/dbraw/zinc/58/21/55/558582155.db2.gz ZBRXCDNUVRQXHP-UHFFFAOYSA-N 1 0 404.735 6.003 10 0 HKAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCc2ccc(Cl)cc2)o1 ZINC000013721419 558582132 /nfs/dbraw/zinc/58/21/32/558582132.db2.gz FTCSAHBBGZONKN-UHFFFAOYSA-N 1 0 404.735 6.003 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 ZINC000013721445 558582141 /nfs/dbraw/zinc/58/21/41/558582141.db2.gz BKYLKJOTVGCPCN-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000013721451 558582096 /nfs/dbraw/zinc/58/20/96/558582096.db2.gz DJLGXJNOQWZJSR-UHFFFAOYSA-N 1 0 409.360 6.329 10 0 HKAERO Cc1c(C[NH2+]CCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1Cl ZINC000013721465 558582376 /nfs/dbraw/zinc/58/23/76/558582376.db2.gz IWIGEVOGRPYGJZ-UHFFFAOYSA-N 1 0 423.387 6.637 10 0 HKAERO COc1cc(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2)c1OCc1ccccc1 ZINC000013721479 558582323 /nfs/dbraw/zinc/58/23/23/558582323.db2.gz FSFFULBTBONPFG-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO CCOc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1OCc1ccccc1F ZINC000013721522 558582345 /nfs/dbraw/zinc/58/23/45/558582345.db2.gz NESDGAMHRITOIP-UHFFFAOYSA-N 1 0 413.920 5.789 10 0 HKAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000013721593 558582315 /nfs/dbraw/zinc/58/23/15/558582315.db2.gz KHBHTFKPQQJIDM-UHFFFAOYSA-N 1 0 412.357 5.486 10 0 HKAERO COc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000013721619 558582389 /nfs/dbraw/zinc/58/23/89/558582389.db2.gz FIQVLXIRGMCOMB-UHFFFAOYSA-N 1 0 412.357 5.486 10 0 HKAERO CC(C)OCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000013721727 558582367 /nfs/dbraw/zinc/58/23/67/558582367.db2.gz BZPBTOUTDPWRMJ-UHFFFAOYSA-N 1 0 410.327 5.072 10 0 HKAERO CC(C)OCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000013721738 558582383 /nfs/dbraw/zinc/58/23/83/558582383.db2.gz WMNBXEATSSKNAC-UHFFFAOYSA-N 1 0 410.327 5.072 10 0 HKAERO CCOc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013721762 558582392 /nfs/dbraw/zinc/58/23/92/558582392.db2.gz VDLPFWWFIBQIRK-UHFFFAOYSA-N 1 0 409.929 5.362 10 0 HKAERO CCOc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCc1ccccc1F ZINC000013721765 558582327 /nfs/dbraw/zinc/58/23/27/558582327.db2.gz YLFPOTPDXFLTRD-UHFFFAOYSA-N 1 0 409.929 5.362 10 0 HKAERO COc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000013721771 558582374 /nfs/dbraw/zinc/58/23/74/558582374.db2.gz JWNBYSXYYXFIFI-UHFFFAOYSA-N 1 0 412.357 5.486 10 0 HKAERO COc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000013721774 558582357 /nfs/dbraw/zinc/58/23/57/558582357.db2.gz QHKROYXNHOLHEQ-UHFFFAOYSA-N 1 0 412.357 5.486 10 0 HKAERO CC(C)OCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000013721794 558582552 /nfs/dbraw/zinc/58/25/52/558582552.db2.gz WHSLRTCALOOSIY-UHFFFAOYSA-N 1 0 416.776 6.131 10 0 HKAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1c(Cl)cccc1Cl ZINC000013721898 558582593 /nfs/dbraw/zinc/58/25/93/558582593.db2.gz YAAWPZLZGSJTEQ-UHFFFAOYSA-N 1 0 412.357 5.486 10 0 HKAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000013721908 558582509 /nfs/dbraw/zinc/58/25/09/558582509.db2.gz QWTVWWHWWYTRAD-UHFFFAOYSA-N 1 0 412.357 5.486 10 0 HKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]CCCOC(C)C)cc1 ZINC000013722035 558582543 /nfs/dbraw/zinc/58/25/43/558582543.db2.gz GFFPXZWPJMIRHA-UHFFFAOYSA-N 1 0 406.364 5.241 10 0 HKAERO CCOc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013722040 558582485 /nfs/dbraw/zinc/58/24/85/558582485.db2.gz LRLIUSCNRVDFKN-UHFFFAOYSA-N 1 0 405.966 5.531 10 0 HKAERO Cc1c(C[NH2+]CCCOC(C)C)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000013722093 558582497 /nfs/dbraw/zinc/58/24/97/558582497.db2.gz FNDVFAZJDOGPCM-UHFFFAOYSA-N 1 0 419.396 6.210 10 0 HKAERO COCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000013722258 558582548 /nfs/dbraw/zinc/58/25/48/558582548.db2.gz XZHVXGXOELNODY-UHFFFAOYSA-N 1 0 404.337 5.852 10 0 HKAERO COCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000013722390 558582674 /nfs/dbraw/zinc/58/26/74/558582674.db2.gz NFJQNKCHYGREBA-UHFFFAOYSA-N 1 0 418.748 5.361 10 0 HKAERO Clc1ccc(COc2ccccc2C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000013722752 558582906 /nfs/dbraw/zinc/58/29/06/558582906.db2.gz GGZCIQOHDWLIHL-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2Cl)c(Cl)c1 ZINC000013722755 558582952 /nfs/dbraw/zinc/58/29/52/558582952.db2.gz UCFSCOQRQSNZEX-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO Clc1ccc(COc2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000013722764 558582904 /nfs/dbraw/zinc/58/29/04/558582904.db2.gz IKYDRANDTNLHHF-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3Cl)cc2)c(Cl)c1 ZINC000013722767 558582928 /nfs/dbraw/zinc/58/29/28/558582928.db2.gz BBAWVZCMLNNLSE-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000013722773 558582941 /nfs/dbraw/zinc/58/29/41/558582941.db2.gz CEKYPQRDNRLREN-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1OCc1ccccc1 ZINC000013722790 558582944 /nfs/dbraw/zinc/58/29/44/558582944.db2.gz MNHJCJOAMXGZCW-UHFFFAOYSA-N 1 0 416.348 5.913 10 0 HKAERO Fc1ccc(COc2ccccc2C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000013722834 558582930 /nfs/dbraw/zinc/58/29/30/558582930.db2.gz OLCJKLIYWIFXJL-UHFFFAOYSA-N 1 0 404.312 6.044 10 0 HKAERO Fc1ccccc1COc1ccccc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013722839 558582935 /nfs/dbraw/zinc/58/29/35/558582935.db2.gz MXVNNHGIPZWLFP-UHFFFAOYSA-N 1 0 404.312 6.044 10 0 HKAERO Clc1ccc(COc2cccc(C[NH2+]CCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000013722891 558582948 /nfs/dbraw/zinc/58/29/48/558582948.db2.gz GJLNFQMMTARZPW-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)c(Cl)c1 ZINC000013722897 558582911 /nfs/dbraw/zinc/58/29/11/558582911.db2.gz NMLLDXQXQKDGNS-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO Fc1ccc(COc2cccc(C[NH2+]CCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000013722908 558582933 /nfs/dbraw/zinc/58/29/33/558582933.db2.gz JGMVJZOFUJABGL-UHFFFAOYSA-N 1 0 404.312 6.044 10 0 HKAERO Fc1ccccc1COc1cccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000013722914 558582902 /nfs/dbraw/zinc/58/29/02/558582902.db2.gz KQCKGKXYASOHQY-UHFFFAOYSA-N 1 0 404.312 6.044 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2)c(Cl)c1 ZINC000013722964 558582913 /nfs/dbraw/zinc/58/29/13/558582913.db2.gz PFTVNDIUIDCLOQ-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO CCOc1ccc(Br)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013723013 558582921 /nfs/dbraw/zinc/58/29/21/558582921.db2.gz NXDOHDNHWHOUJH-UHFFFAOYSA-N 1 0 403.147 5.487 10 0 HKAERO CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc(Cl)c1OCC ZINC000013723034 558582899 /nfs/dbraw/zinc/58/28/99/558582899.db2.gz ASJJSBITDLXCIZ-UHFFFAOYSA-N 1 0 402.749 5.777 10 0 HKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc(Br)c1OC ZINC000013723049 560827535 /nfs/dbraw/zinc/82/75/35/560827535.db2.gz HZRZNPSDXOAMDG-UHFFFAOYSA-N 1 0 419.146 5.105 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2ccc(-c3cc(Cl)ccc3Cl)o2)c(Cl)c1 ZINC000013723146 558583165 /nfs/dbraw/zinc/58/31/65/558583165.db2.gz SCDNIIVYYKXDCN-UHFFFAOYSA-N 1 0 415.147 6.893 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(Cl)c1 ZINC000013723152 558583144 /nfs/dbraw/zinc/58/31/44/558583144.db2.gz ZQRCEDKOWYHLOP-UHFFFAOYSA-N 1 0 415.147 6.893 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1 ZINC000013723170 558583110 /nfs/dbraw/zinc/58/31/10/558583110.db2.gz ZGSRDVSRNPXGPW-UHFFFAOYSA-N 1 0 415.147 6.893 10 0 HKAERO COc1ccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000013723179 558583150 /nfs/dbraw/zinc/58/31/50/558583150.db2.gz FIWXIIZWBOJIPP-UHFFFAOYSA-N 1 0 410.728 6.248 10 0 HKAERO Cc1ccc(COc2ccccc2C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000013723209 558583048 /nfs/dbraw/zinc/58/30/48/558583048.db2.gz LMEMKAHHEHLHGC-UHFFFAOYSA-N 1 0 400.349 6.213 10 0 HKAERO Cc1ccc(COc2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000013723212 558583090 /nfs/dbraw/zinc/58/30/90/558583090.db2.gz WGULRNPHLDHJRX-UHFFFAOYSA-N 1 0 400.349 6.213 10 0 HKAERO Cc1ccc(COc2cccc(C[NH2+]CCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000013723231 558583065 /nfs/dbraw/zinc/58/30/65/558583065.db2.gz UCFSTZZUQPLYPD-UHFFFAOYSA-N 1 0 400.349 6.213 10 0 HKAERO FC(F)(F)c1cccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)o2)c1 ZINC000013723295 558583128 /nfs/dbraw/zinc/58/31/28/558583128.db2.gz NGHQWMDGYSUPQA-UHFFFAOYSA-N 1 0 414.254 6.605 10 0 HKAERO CCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1Br ZINC000013723335 558583069 /nfs/dbraw/zinc/58/30/69/558583069.db2.gz VRTIOUUDBCRJHU-UHFFFAOYSA-N 1 0 403.147 5.487 10 0 HKAERO Clc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)c(Cl)c2)c(Cl)c1 ZINC000013723344 558583160 /nfs/dbraw/zinc/58/31/60/558583160.db2.gz PEBOUXZVGZLSDE-UHFFFAOYSA-N 1 0 420.767 6.558 10 0 HKAERO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000013723468 558583043 /nfs/dbraw/zinc/58/30/43/558583043.db2.gz WSBBHNFRHKGOQB-UHFFFAOYSA-N 1 0 420.380 6.561 10 0 HKAERO COc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccc(Cl)cc1Cl ZINC000013723500 558583078 /nfs/dbraw/zinc/58/30/78/558583078.db2.gz JIWILOSQCQZHAI-UHFFFAOYSA-N 1 0 420.380 6.561 10 0 HKAERO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723508 558583096 /nfs/dbraw/zinc/58/30/96/558583096.db2.gz UGSGWMONWBFEAX-UHFFFAOYSA-N 1 0 405.969 7.052 10 0 HKAERO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCC1=CCCCC1 ZINC000013723513 558583170 /nfs/dbraw/zinc/58/31/70/558583170.db2.gz UHFDXZFYLVEIKR-UHFFFAOYSA-N 1 0 405.969 7.052 10 0 HKAERO Brc1ccc(OCc2ccccc2)c(C[NH2+]CCC2=CCCCC2)c1 ZINC000013723578 558583102 /nfs/dbraw/zinc/58/31/02/558583102.db2.gz HBPKFNVRRXWKOT-UHFFFAOYSA-N 1 0 400.360 6.008 10 0 HKAERO Fc1ccc(COc2ccc(Br)cc2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723618 558583323 /nfs/dbraw/zinc/58/33/23/558583323.db2.gz YGEJOFYQJAPMSM-UHFFFAOYSA-N 1 0 418.350 6.147 10 0 HKAERO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]CCC1=CCCCC1 ZINC000013723627 558583342 /nfs/dbraw/zinc/58/33/42/558583342.db2.gz RFVDJQDWVWBWON-UHFFFAOYSA-N 1 0 418.350 6.147 10 0 HKAERO CCOc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013723654 558583348 /nfs/dbraw/zinc/58/33/48/558583348.db2.gz HOSVUWOWWUTFMJ-UHFFFAOYSA-N 1 0 417.952 6.437 10 0 HKAERO CCOc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCc1ccccc1F ZINC000013723657 558583313 /nfs/dbraw/zinc/58/33/13/558583313.db2.gz YCHYOQWSTAMCRO-UHFFFAOYSA-N 1 0 417.952 6.437 10 0 HKAERO COc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000013723663 558583371 /nfs/dbraw/zinc/58/33/71/558583371.db2.gz ALHCQPJKXGIYIQ-UHFFFAOYSA-N 1 0 420.380 6.561 10 0 HKAERO COc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000013723666 558583328 /nfs/dbraw/zinc/58/33/28/558583328.db2.gz YZEFHCVWOAXCSP-UHFFFAOYSA-N 1 0 420.380 6.561 10 0 HKAERO COc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013723672 558583355 /nfs/dbraw/zinc/58/33/55/558583355.db2.gz NQTNXKPHZJYOMP-UHFFFAOYSA-N 1 0 403.925 6.047 10 0 HKAERO COc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCc1ccccc1F ZINC000013723676 558583316 /nfs/dbraw/zinc/58/33/16/558583316.db2.gz MJCLIVPBLZDHLE-UHFFFAOYSA-N 1 0 403.925 6.047 10 0 HKAERO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCC2=CCCCC2)c(Cl)c1 ZINC000013723688 558583361 /nfs/dbraw/zinc/58/33/61/558583361.db2.gz AJKPUGYXMRYUKD-UHFFFAOYSA-N 1 0 424.799 7.206 10 0 HKAERO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1c(Cl)cccc1Cl ZINC000013723798 558583363 /nfs/dbraw/zinc/58/33/63/558583363.db2.gz XXONRSNANZBHJH-UHFFFAOYSA-N 1 0 420.380 6.561 10 0 HKAERO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccc(F)cc1Cl ZINC000013723801 558583335 /nfs/dbraw/zinc/58/33/35/558583335.db2.gz ZFJYFYGWFFHRSD-UHFFFAOYSA-N 1 0 403.925 6.047 10 0 HKAERO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1c(F)cccc1Cl ZINC000013723804 558583331 /nfs/dbraw/zinc/58/33/31/558583331.db2.gz XNFVNNFKRKMBDJ-UHFFFAOYSA-N 1 0 403.925 6.047 10 0 HKAERO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000013723808 558583351 /nfs/dbraw/zinc/58/33/51/558583351.db2.gz CKOUYPPBXBOXRJ-UHFFFAOYSA-N 1 0 420.380 6.561 10 0 HKAERO CCOc1c(Br)cc(Br)cc1C[NH2+]CCC1=CCCCC1 ZINC000013723825 560827536 /nfs/dbraw/zinc/82/75/36/560827536.db2.gz JLEQIPCNVDEYKR-UHFFFAOYSA-N 1 0 417.185 5.590 10 0 HKAERO COc1c(Br)cc(Br)cc1C[NH2+]CCC1=CCCCC1 ZINC000013723827 560827547 /nfs/dbraw/zinc/82/75/47/560827547.db2.gz LJZMEXIYOSVCGB-UHFFFAOYSA-N 1 0 403.158 5.200 10 0 HKAERO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723924 558583543 /nfs/dbraw/zinc/58/35/43/558583543.db2.gz ISYKUAFDQSMSMK-UHFFFAOYSA-N 1 0 404.381 6.861 10 0 HKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723938 558583582 /nfs/dbraw/zinc/58/35/82/558583582.db2.gz CZLOTSXDVAEIAR-UHFFFAOYSA-N 1 0 414.387 6.317 10 0 HKAERO CCOc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013723945 558583477 /nfs/dbraw/zinc/58/34/77/558583477.db2.gz GNHAJGNMMNAEGC-UHFFFAOYSA-N 1 0 413.989 6.606 10 0 HKAERO COc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccc(F)cc1Cl ZINC000013723968 558583525 /nfs/dbraw/zinc/58/35/25/558583525.db2.gz OXZLJSLBHLYBFS-UHFFFAOYSA-N 1 0 403.925 6.047 10 0 HKAERO Clc1ccc(Cn2cc(C[NH2+]CCC3=CCCCC3)c3ccccc32)c(Cl)c1 ZINC000013723995 558583597 /nfs/dbraw/zinc/58/35/97/558583597.db2.gz DIXKBZLBZMWNNT-UHFFFAOYSA-N 1 0 413.392 6.977 10 0 HKAERO Brc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccccc1 ZINC000013724022 558583502 /nfs/dbraw/zinc/58/35/02/558583502.db2.gz KFHJWNFSKAJNEE-UHFFFAOYSA-N 1 0 400.360 6.008 10 0 HKAERO CCOc1c(Br)cc(C[NH2+]CCC2=CCCCC2)cc1Br ZINC000013724033 560827543 /nfs/dbraw/zinc/82/75/43/560827543.db2.gz GWFCOOUXDIKLLT-UHFFFAOYSA-N 1 0 417.185 5.590 10 0 HKAERO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013724072 558583587 /nfs/dbraw/zinc/58/35/87/558583587.db2.gz SEXRBWJLHQSIDY-UHFFFAOYSA-N 1 0 408.542 5.001 10 0 HKAERO CC(C)CC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000013724148 558583485 /nfs/dbraw/zinc/58/34/85/558583485.db2.gz CJVUHSCACBSHRN-UHFFFAOYSA-N 1 0 402.365 6.861 10 0 HKAERO CCOc1cc(C[NH2+]CCC(C)C)cc(Br)c1OCc1ccccc1 ZINC000013724189 558583473 /nfs/dbraw/zinc/58/34/73/558583473.db2.gz NFQFGINETFYRAO-UHFFFAOYSA-N 1 0 406.364 5.563 10 0 HKAERO CCOc1cc(C[NH2+]CCC(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000013724224 558583574 /nfs/dbraw/zinc/58/35/74/558583574.db2.gz VTVPNGOTGZKTDW-UHFFFAOYSA-N 1 0 424.354 5.702 10 0 HKAERO CCOc1cc(C[NH2+]CCC(C)C)cc(Br)c1OCc1ccccc1F ZINC000013724235 558583536 /nfs/dbraw/zinc/58/35/36/558583536.db2.gz GWOPFSMCELCAMT-UHFFFAOYSA-N 1 0 424.354 5.702 10 0 HKAERO COc1cc(C[NH2+]CCC(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000013724238 558583481 /nfs/dbraw/zinc/58/34/81/558583481.db2.gz OZEPIKSACPVXFN-UHFFFAOYSA-N 1 0 410.327 5.312 10 0 HKAERO COc1cc(C[NH2+]CCC(C)C)cc(Br)c1OCc1ccccc1F ZINC000013724241 558583601 /nfs/dbraw/zinc/58/36/01/558583601.db2.gz LPBARUMWVBXHBK-UHFFFAOYSA-N 1 0 410.327 5.312 10 0 HKAERO COc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000013724271 558583507 /nfs/dbraw/zinc/58/35/07/558583507.db2.gz SPHXEOJUDQRHIS-UHFFFAOYSA-N 1 0 416.776 6.370 10 0 HKAERO COc1cc(C[NH2+]CCC(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000013724443 558583788 /nfs/dbraw/zinc/58/37/88/558583788.db2.gz NXDWPUQZYKOMMS-UHFFFAOYSA-N 1 0 406.364 5.481 10 0 HKAERO CCOc1cc(C[NH2+]CCC(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000013724464 558583793 /nfs/dbraw/zinc/58/37/93/558583793.db2.gz BKODKWNTPJDKAP-UHFFFAOYSA-N 1 0 420.391 5.871 10 0 HKAERO CC(C)CC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013724566 558583755 /nfs/dbraw/zinc/58/37/55/558583755.db2.gz HCTRGMQRSFDUQJ-UHFFFAOYSA-N 1 0 401.142 5.607 10 0 HKAERO CCC(C)(C)[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000013724654 558583798 /nfs/dbraw/zinc/58/37/98/558583798.db2.gz JXMGICLKCSTALE-UHFFFAOYSA-N 1 0 402.365 7.004 10 0 HKAERO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Br)c1OCc1ccccc1 ZINC000013724698 558583782 /nfs/dbraw/zinc/58/37/82/558583782.db2.gz BEFBMUXVMFKMPV-UHFFFAOYSA-N 1 0 406.364 5.705 10 0 HKAERO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Br)c1OCc1ccc(F)cc1 ZINC000013724743 558583711 /nfs/dbraw/zinc/58/37/11/558583711.db2.gz XDPYODCDBFBPOV-UHFFFAOYSA-N 1 0 424.354 5.844 10 0 HKAERO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Br)c1OCc1ccccc1F ZINC000013724755 558583734 /nfs/dbraw/zinc/58/37/34/558583734.db2.gz HTSIORAMGSECHV-UHFFFAOYSA-N 1 0 424.354 5.844 10 0 HKAERO CCC(C)(C)[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000013724759 558583800 /nfs/dbraw/zinc/58/38/00/558583800.db2.gz GKKUIQHPNSTGEL-UHFFFAOYSA-N 1 0 410.327 5.454 10 0 HKAERO CCC(C)(C)[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000013724763 558583791 /nfs/dbraw/zinc/58/37/91/558583791.db2.gz WFWLEAQSEZFXQR-UHFFFAOYSA-N 1 0 410.327 5.454 10 0 HKAERO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000013724803 558583731 /nfs/dbraw/zinc/58/37/31/558583731.db2.gz YBPGFTQFFDAYOX-UHFFFAOYSA-N 1 0 416.776 6.513 10 0 HKAERO CCC(C)(C)[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000013725035 558583903 /nfs/dbraw/zinc/58/39/03/558583903.db2.gz YOSLSELBARKOJB-UHFFFAOYSA-N 1 0 406.364 5.623 10 0 HKAERO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Br)c1OCc1ccc(C)cc1 ZINC000013725063 558583967 /nfs/dbraw/zinc/58/39/67/558583967.db2.gz AHRUFXOJVWYHCJ-UHFFFAOYSA-N 1 0 420.391 6.013 10 0 HKAERO CCC(C)(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013725199 558583921 /nfs/dbraw/zinc/58/39/21/558583921.db2.gz VDEDMGRPLZDLTL-UHFFFAOYSA-N 1 0 401.142 5.750 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013725270 558583963 /nfs/dbraw/zinc/58/39/63/558583963.db2.gz ZXDWBEZBSGEQKT-SFHVURJKSA-N 1 0 414.376 6.683 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013725275 558583876 /nfs/dbraw/zinc/58/38/76/558583876.db2.gz ZXDWBEZBSGEQKT-GOSISDBHSA-N 1 0 414.376 6.683 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013725303 558583959 /nfs/dbraw/zinc/58/39/59/558583959.db2.gz OQSIPRMIXMLTCX-SFHVURJKSA-N 1 0 414.376 6.683 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013725307 558583919 /nfs/dbraw/zinc/58/39/19/558583919.db2.gz OQSIPRMIXMLTCX-GOSISDBHSA-N 1 0 414.376 6.683 10 0 HKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000013725318 558583913 /nfs/dbraw/zinc/58/39/13/558583913.db2.gz CCHDGYNGWPCBFR-IBGZPJMESA-N 1 0 409.957 6.039 10 0 HKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000013725322 558583916 /nfs/dbraw/zinc/58/39/16/558583916.db2.gz CCHDGYNGWPCBFR-LJQANCHMSA-N 1 0 409.957 6.039 10 0 HKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccccc1Cl ZINC000013725327 558583898 /nfs/dbraw/zinc/58/38/98/558583898.db2.gz TXFPOBOMNSAOSD-IBGZPJMESA-N 1 0 409.957 6.039 10 0 HKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccccc1Cl ZINC000013725332 558583973 /nfs/dbraw/zinc/58/39/73/558583973.db2.gz TXFPOBOMNSAOSD-LJQANCHMSA-N 1 0 409.957 6.039 10 0 HKAERO COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000013725387 558583924 /nfs/dbraw/zinc/58/39/24/558583924.db2.gz RCECCSMUGHSJQD-IBGZPJMESA-N 1 0 409.957 6.039 10 0 HKAERO COc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000013725391 558583955 /nfs/dbraw/zinc/58/39/55/558583955.db2.gz RCECCSMUGHSJQD-LJQANCHMSA-N 1 0 409.957 6.039 10 0 HKAERO COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1OCc1ccccc1Cl ZINC000013725395 558583971 /nfs/dbraw/zinc/58/39/71/558583971.db2.gz UICACOPQABJACV-IBGZPJMESA-N 1 0 409.957 6.039 10 0 HKAERO COc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1OCc1ccccc1Cl ZINC000013725400 558583880 /nfs/dbraw/zinc/58/38/80/558583880.db2.gz UICACOPQABJACV-LJQANCHMSA-N 1 0 409.957 6.039 10 0 HKAERO CCOc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000013725525 558584192 /nfs/dbraw/zinc/58/41/92/558584192.db2.gz KPNZNCFFCMJLGZ-FQEVSTJZSA-N 1 0 423.984 6.429 10 0 HKAERO CCOc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000013725529 558584141 /nfs/dbraw/zinc/58/41/41/558584141.db2.gz KPNZNCFFCMJLGZ-HXUWFJFHSA-N 1 0 423.984 6.429 10 0 HKAERO CCOc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccccc1Cl ZINC000013725533 558584201 /nfs/dbraw/zinc/58/42/01/558584201.db2.gz NNUPBMRKQRBTJK-FQEVSTJZSA-N 1 0 423.984 6.429 10 0 HKAERO CCOc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccccc1Cl ZINC000013725537 558584252 /nfs/dbraw/zinc/58/42/52/558584252.db2.gz NNUPBMRKQRBTJK-HXUWFJFHSA-N 1 0 423.984 6.429 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000013725591 558584105 /nfs/dbraw/zinc/58/41/05/558584105.db2.gz OSFWUDQFMNQKSR-IBGZPJMESA-N 1 0 424.382 6.139 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000013725595 558584256 /nfs/dbraw/zinc/58/42/56/558584256.db2.gz OSFWUDQFMNQKSR-LJQANCHMSA-N 1 0 424.382 6.139 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013725657 558584130 /nfs/dbraw/zinc/58/41/30/558584130.db2.gz OCSGKNYSMOEWCV-SFHVURJKSA-N 1 0 414.376 6.683 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013725661 558584231 /nfs/dbraw/zinc/58/42/31/558584231.db2.gz OCSGKNYSMOEWCV-GOSISDBHSA-N 1 0 414.376 6.683 10 0 HKAERO CCOc1cc(C[NH2+][C@@H](C)CCc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000013725738 558584218 /nfs/dbraw/zinc/58/42/18/558584218.db2.gz CHQGOFXWVQGEIK-FQEVSTJZSA-N 1 0 423.984 6.429 10 0 HKAERO CCOc1cc(C[NH2+][C@H](C)CCc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000013725742 558584112 /nfs/dbraw/zinc/58/41/12/558584112.db2.gz CHQGOFXWVQGEIK-HXUWFJFHSA-N 1 0 423.984 6.429 10 0 HKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000013725787 558584136 /nfs/dbraw/zinc/58/41/36/558584136.db2.gz SEYYFQQRWZDHKZ-IBGZPJMESA-N 1 0 409.957 6.039 10 0 HKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000013725791 558584144 /nfs/dbraw/zinc/58/41/44/558584144.db2.gz SEYYFQQRWZDHKZ-LJQANCHMSA-N 1 0 409.957 6.039 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013725844 558584222 /nfs/dbraw/zinc/58/42/22/558584222.db2.gz VCZCGCCQBSMSOQ-SFHVURJKSA-N 1 0 414.376 6.683 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013725848 558584234 /nfs/dbraw/zinc/58/42/34/558584234.db2.gz VCZCGCCQBSMSOQ-GOSISDBHSA-N 1 0 414.376 6.683 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013725853 558584158 /nfs/dbraw/zinc/58/41/58/558584158.db2.gz IPTHDYXXVOYNLJ-SFHVURJKSA-N 1 0 414.376 6.683 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013725857 558584351 /nfs/dbraw/zinc/58/43/51/558584351.db2.gz IPTHDYXXVOYNLJ-GOSISDBHSA-N 1 0 414.376 6.683 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013725932 558584349 /nfs/dbraw/zinc/58/43/49/558584349.db2.gz VAACYHMKUDHCNM-NRFANRHFSA-N 1 0 413.536 6.669 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013725936 558584302 /nfs/dbraw/zinc/58/43/02/558584302.db2.gz VAACYHMKUDHCNM-OAQYLSRUSA-N 1 0 413.536 6.669 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013725940 558584359 /nfs/dbraw/zinc/58/43/59/558584359.db2.gz VYBRVHMKJUBLPD-NRFANRHFSA-N 1 0 413.536 6.669 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013725943 558584315 /nfs/dbraw/zinc/58/43/15/558584315.db2.gz VYBRVHMKJUBLPD-OAQYLSRUSA-N 1 0 413.536 6.669 10 0 HKAERO CCOc1cc(C[NH2+][C@@H](C)CCc2ccccc2)cc(Br)c1OCC ZINC000013726008 558584332 /nfs/dbraw/zinc/58/43/32/558584332.db2.gz KOKFETVUVJZLMX-INIZCTEOSA-N 1 0 406.364 5.357 10 0 HKAERO CCOc1cc(C[NH2+][C@H](C)CCc2ccccc2)cc(Br)c1OCC ZINC000013726011 558584386 /nfs/dbraw/zinc/58/43/86/558584386.db2.gz KOKFETVUVJZLMX-MRXNPFEDSA-N 1 0 406.364 5.357 10 0 HKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000013726183 558584389 /nfs/dbraw/zinc/58/43/89/558584389.db2.gz NCCAGEVTNXMRPX-IBGZPJMESA-N 1 0 409.957 6.039 10 0 HKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000013726186 558584366 /nfs/dbraw/zinc/58/43/66/558584366.db2.gz NCCAGEVTNXMRPX-LJQANCHMSA-N 1 0 409.957 6.039 10 0 HKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccc(Cl)nc1 ZINC000013726189 558584317 /nfs/dbraw/zinc/58/43/17/558584317.db2.gz ZJMPMLZPFABJIO-SFHVURJKSA-N 1 0 410.945 5.434 10 0 HKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccc(Cl)nc1 ZINC000013726194 558584392 /nfs/dbraw/zinc/58/43/92/558584392.db2.gz ZJMPMLZPFABJIO-GOSISDBHSA-N 1 0 410.945 5.434 10 0 HKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000013726512 558584657 /nfs/dbraw/zinc/58/46/57/558584657.db2.gz LXIMECDCDLXWEM-QHCPKHFHSA-N 1 0 409.573 6.838 10 0 HKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000013726516 558584654 /nfs/dbraw/zinc/58/46/54/558584654.db2.gz LXIMECDCDLXWEM-HSZRJFAPSA-N 1 0 409.573 6.838 10 0 HKAERO CCOc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000013726520 558584561 /nfs/dbraw/zinc/58/45/61/558584561.db2.gz FNBIXZJHEOMRCQ-QFIPXVFZSA-N 1 0 403.566 6.084 10 0 HKAERO CCOc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000013726523 558584534 /nfs/dbraw/zinc/58/45/34/558584534.db2.gz FNBIXZJHEOMRCQ-JOCHJYFZSA-N 1 0 403.566 6.084 10 0 HKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013726560 558584569 /nfs/dbraw/zinc/58/45/69/558584569.db2.gz RPCIVQYTBCOPRC-FQEVSTJZSA-N 1 0 423.984 6.347 10 0 HKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013726564 558584566 /nfs/dbraw/zinc/58/45/66/558584566.db2.gz RPCIVQYTBCOPRC-HXUWFJFHSA-N 1 0 423.984 6.347 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013726573 558584558 /nfs/dbraw/zinc/58/45/58/558584558.db2.gz ZZBGKRVWCXYAOK-HNNXBMFYSA-N 1 0 418.762 6.473 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013726576 558584605 /nfs/dbraw/zinc/58/46/05/558584605.db2.gz ZZBGKRVWCXYAOK-OAHLLOKOSA-N 1 0 418.762 6.473 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013726633 558584545 /nfs/dbraw/zinc/58/45/45/558584545.db2.gz XJVQSHNPZKJUEP-SFHVURJKSA-N 1 0 414.376 6.683 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013726636 558584614 /nfs/dbraw/zinc/58/46/14/558584614.db2.gz XJVQSHNPZKJUEP-GOSISDBHSA-N 1 0 414.376 6.683 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013726644 558584548 /nfs/dbraw/zinc/58/45/48/558584548.db2.gz HRYZRGNJLIOLRY-FQEVSTJZSA-N 1 0 402.969 6.454 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013726647 558584645 /nfs/dbraw/zinc/58/46/45/558584645.db2.gz HRYZRGNJLIOLRY-HXUWFJFHSA-N 1 0 402.969 6.454 10 0 HKAERO Cc1c(C[NH2+][C@@H](C)CCc2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000013726668 558584538 /nfs/dbraw/zinc/58/45/38/558584538.db2.gz ZBGZARHMFQVOQS-FQEVSTJZSA-N 1 0 416.996 6.762 10 0 HKAERO Cc1c(C[NH2+][C@H](C)CCc2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000013726671 558584610 /nfs/dbraw/zinc/58/46/10/558584610.db2.gz ZBGZARHMFQVOQS-HXUWFJFHSA-N 1 0 416.996 6.762 10 0 HKAERO COc1cc(Cl)cc(C[NH2+][C@@H](C)CCc2ccccc2)c1OCc1ccccc1 ZINC000013726692 558584551 /nfs/dbraw/zinc/58/45/51/558584551.db2.gz DILOJOGBLXKYNK-IBGZPJMESA-N 1 0 409.957 6.039 10 0 HKAERO COc1cc(Cl)cc(C[NH2+][C@H](C)CCc2ccccc2)c1OCc1ccccc1 ZINC000013726695 558584573 /nfs/dbraw/zinc/58/45/73/558584573.db2.gz DILOJOGBLXKYNK-LJQANCHMSA-N 1 0 409.957 6.039 10 0 HKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000013726710 558584641 /nfs/dbraw/zinc/58/46/41/558584641.db2.gz ZOURMQNSEVSYOC-IBGZPJMESA-N 1 0 424.382 6.139 10 0 HKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000013726713 558584542 /nfs/dbraw/zinc/58/45/42/558584542.db2.gz ZOURMQNSEVSYOC-LJQANCHMSA-N 1 0 424.382 6.139 10 0 HKAERO CCOc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1OCc1ccccc1Cl ZINC000013726757 558584591 /nfs/dbraw/zinc/58/45/91/558584591.db2.gz ZNRYQOMMNRXBTC-FQEVSTJZSA-N 1 0 423.984 6.429 10 0 HKAERO CCOc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1OCc1ccccc1Cl ZINC000013726760 558584619 /nfs/dbraw/zinc/58/46/19/558584619.db2.gz ZNRYQOMMNRXBTC-HXUWFJFHSA-N 1 0 423.984 6.429 10 0 HKAERO CCOc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1OCc1ccccc1F ZINC000013726763 558584743 /nfs/dbraw/zinc/58/47/43/558584743.db2.gz MCIFZLJKXIMHSM-FQEVSTJZSA-N 1 0 407.529 5.914 10 0 HKAERO CCOc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1OCc1ccccc1F ZINC000013726766 558584746 /nfs/dbraw/zinc/58/47/46/558584746.db2.gz MCIFZLJKXIMHSM-HXUWFJFHSA-N 1 0 407.529 5.914 10 0 HKAERO CCOc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000013726778 558584752 /nfs/dbraw/zinc/58/47/52/558584752.db2.gz IOTXSOJYTGFYTC-FQEVSTJZSA-N 1 0 423.984 6.429 10 0 HKAERO CCOc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000013726781 558584788 /nfs/dbraw/zinc/58/47/88/558584788.db2.gz IOTXSOJYTGFYTC-HXUWFJFHSA-N 1 0 423.984 6.429 10 0 HKAERO OCCCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000013726896 558584781 /nfs/dbraw/zinc/58/47/81/558584781.db2.gz JBBSZRFEYOFIQA-UHFFFAOYSA-N 1 0 418.364 5.978 10 0 HKAERO CCOc1cc(C[NH2+]CCCCCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000013726931 558584792 /nfs/dbraw/zinc/58/47/92/558584792.db2.gz AKESQBPVTTZNAJ-UHFFFAOYSA-N 1 0 412.357 5.223 10 0 HKAERO CCOc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000013727002 558584776 /nfs/dbraw/zinc/58/47/76/558584776.db2.gz LPGUCMIWJZPKIZ-UHFFFAOYSA-N 1 0 412.357 5.223 10 0 HKAERO CCOc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccccc1Cl ZINC000013727005 558584749 /nfs/dbraw/zinc/58/47/49/558584749.db2.gz GBVPZHCPFAIRJD-UHFFFAOYSA-N 1 0 412.357 5.223 10 0 HKAERO OCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000013727043 558584758 /nfs/dbraw/zinc/58/47/58/558584758.db2.gz UFTSYUAOHFQESN-UHFFFAOYSA-N 1 0 402.749 5.478 10 0 HKAERO Cc1c(C[NH2+]CCCCCO)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000013727298 558584965 /nfs/dbraw/zinc/58/49/65/558584965.db2.gz LCFFXBOVRGOLFF-UHFFFAOYSA-N 1 0 405.369 5.557 10 0 HKAERO CCOc1cccc(C[NH2+]CCCCCO)c1OCc1ccc(Cl)cc1Cl ZINC000013727351 558585001 /nfs/dbraw/zinc/58/50/01/558585001.db2.gz AOWNAZRHKNKAAJ-UHFFFAOYSA-N 1 0 412.357 5.223 10 0 HKAERO O=C1CCCN1CCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000013727476 558585043 /nfs/dbraw/zinc/58/50/43/558585043.db2.gz VLCZLJFOWVCMPR-UHFFFAOYSA-N 1 0 422.956 5.174 10 0 HKAERO O=C1CCCN1CCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000013727480 558584959 /nfs/dbraw/zinc/58/49/59/558584959.db2.gz LIHVZBHSBQMCKX-UHFFFAOYSA-N 1 0 422.956 5.174 10 0 HKAERO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000013729648 558585829 /nfs/dbraw/zinc/58/58/29/558585829.db2.gz HIWJXQCFSBSMRX-UHFFFAOYSA-N 1 0 423.561 5.158 10 0 HKAERO CCOc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccccc1Cl ZINC000013729783 558586123 /nfs/dbraw/zinc/58/61/23/558586123.db2.gz HLQNAJHAKFSBFK-UHFFFAOYSA-N 1 0 413.920 5.789 10 0 HKAERO CCOc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OCc1ccccc1Cl ZINC000013729786 558586107 /nfs/dbraw/zinc/58/61/07/558586107.db2.gz ILFPQQQALWMBBW-UHFFFAOYSA-N 1 0 413.920 5.789 10 0 HKAERO CCOc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccccc1Cl ZINC000013729798 558586134 /nfs/dbraw/zinc/58/61/34/558586134.db2.gz MPIVASPFNBMHKN-JOCHJYFZSA-N 1 0 411.929 5.141 10 0 HKAERO CCOc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccccc1Cl ZINC000013729801 558586146 /nfs/dbraw/zinc/58/61/46/558586146.db2.gz MPIVASPFNBMHKN-QFIPXVFZSA-N 1 0 411.929 5.141 10 0 HKAERO CCOc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccccc1Cl ZINC000013729816 558586052 /nfs/dbraw/zinc/58/60/52/558586052.db2.gz YXPFAXJGYIBVGP-UHFFFAOYSA-N 1 0 403.994 6.622 10 0 HKAERO CCOc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1ccccc1Cl ZINC000013729819 558586112 /nfs/dbraw/zinc/58/61/12/558586112.db2.gz NUPAGJXGYUOLOM-UHFFFAOYSA-N 1 0 401.978 6.520 10 0 HKAERO CCOc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1OCc1ccccc1Cl ZINC000013729828 558586092 /nfs/dbraw/zinc/58/60/92/558586092.db2.gz BSPSVOVUEWLYLP-UHFFFAOYSA-N 1 0 411.929 5.616 10 0 HKAERO CCOc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1F ZINC000013729868 558586085 /nfs/dbraw/zinc/58/60/85/558586085.db2.gz HDBQNUUUELSYSV-UHFFFAOYSA-N 1 0 409.545 5.862 10 0 HKAERO CCOc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccccc1F ZINC000013729877 558586154 /nfs/dbraw/zinc/58/61/54/558586154.db2.gz YSBQKJPDZFAERI-UHFFFAOYSA-N 1 0 409.545 5.718 10 0 HKAERO CCOc1cccc(C[NH2+]CCc2ccc(OC)cc2)c1OCc1ccccc1F ZINC000013729983 558586018 /nfs/dbraw/zinc/58/60/18/558586018.db2.gz BQEXMVMCWACERJ-UHFFFAOYSA-N 1 0 409.501 5.144 10 0 HKAERO CCOc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1OCc1ccccc1F ZINC000013729998 558586157 /nfs/dbraw/zinc/58/61/57/558586157.db2.gz WRDPOJNYHQVWMM-UHFFFAOYSA-N 1 0 418.512 5.617 10 0 HKAERO CCOc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000013730061 558586038 /nfs/dbraw/zinc/58/60/38/558586038.db2.gz YUAPEZNEMLVRLF-UHFFFAOYSA-N 1 0 416.348 6.261 10 0 HKAERO CCOc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccc(Cl)cc1Cl ZINC000013730064 558586044 /nfs/dbraw/zinc/58/60/44/558586044.db2.gz OEFLOGZVZNUHIW-UHFFFAOYSA-N 1 0 408.369 6.393 10 0 HKAERO CCOc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccc(Cl)cc1Cl ZINC000013730118 558586342 /nfs/dbraw/zinc/58/63/42/558586342.db2.gz XRAFYSWLNLUXIZ-UHFFFAOYSA-N 1 0 422.396 6.784 10 0 HKAERO CCOc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccc(Cl)cc1Cl ZINC000013730161 558586339 /nfs/dbraw/zinc/58/63/39/558586339.db2.gz XYHZULXUFHMQDX-UHFFFAOYSA-N 1 0 417.336 5.656 10 0 HKAERO CCOc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccc(Cl)cc1 ZINC000013730201 558586358 /nfs/dbraw/zinc/58/63/58/558586358.db2.gz NBLCXWBEVHMQQZ-UHFFFAOYSA-N 1 0 413.920 5.789 10 0 HKAERO CCOc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OCc1ccc(Cl)cc1 ZINC000013730204 558586313 /nfs/dbraw/zinc/58/63/13/558586313.db2.gz ZKWZFIKSFMGZQD-UHFFFAOYSA-N 1 0 413.920 5.789 10 0 HKAERO CCOc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000013730216 558586296 /nfs/dbraw/zinc/58/62/96/558586296.db2.gz RLCVXWGLSYCTTD-JOCHJYFZSA-N 1 0 411.929 5.141 10 0 HKAERO CCOc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000013730219 558586304 /nfs/dbraw/zinc/58/63/04/558586304.db2.gz RLCVXWGLSYCTTD-QFIPXVFZSA-N 1 0 411.929 5.141 10 0 HKAERO CCOc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccc(Cl)cc1 ZINC000013730234 558586344 /nfs/dbraw/zinc/58/63/44/558586344.db2.gz UZJSKYZLOAXWQF-UHFFFAOYSA-N 1 0 403.994 6.622 10 0 HKAERO CCOc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1ccc(Cl)cc1 ZINC000013730237 558586329 /nfs/dbraw/zinc/58/63/29/558586329.db2.gz ITUSVHKDQPVXRA-UHFFFAOYSA-N 1 0 401.978 6.520 10 0 HKAERO CCOc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1OCc1ccc(Cl)cc1 ZINC000013730246 558586317 /nfs/dbraw/zinc/58/63/17/558586317.db2.gz IEPUOPJDLRUAMJ-UHFFFAOYSA-N 1 0 411.929 5.616 10 0 HKAERO CCCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730680 558586444 /nfs/dbraw/zinc/58/64/44/558586444.db2.gz IUMFFEQVVLRLSY-UHFFFAOYSA-N 1 0 401.142 5.751 10 0 HKAERO CCCCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730684 558586423 /nfs/dbraw/zinc/58/64/23/558586423.db2.gz QWKOAHQTZBHQHY-UHFFFAOYSA-N 1 0 415.169 6.142 10 0 HKAERO Brc1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)c(Br)c1 ZINC000013730778 558586471 /nfs/dbraw/zinc/58/64/71/558586471.db2.gz SVIYODSDOWRUPO-UHFFFAOYSA-N 1 0 422.120 5.156 10 0 HKAERO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731463 558586773 /nfs/dbraw/zinc/58/67/73/558586773.db2.gz KEMHQVBDZSKZIN-UHFFFAOYSA-N 1 0 412.574 5.326 10 0 HKAERO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731466 558586806 /nfs/dbraw/zinc/58/68/06/558586806.db2.gz QSSVBKNMZHTOJS-UHFFFAOYSA-N 1 0 410.558 5.224 10 0 HKAERO CCOc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccc(Cl)cc1Cl ZINC000013731749 558586827 /nfs/dbraw/zinc/58/68/27/558586827.db2.gz HXHHTONUFSGOLE-UHFFFAOYSA-N 1 0 417.336 5.656 10 0 HKAERO CCOc1cccc(CNCCC[NH+](C)C)c1OCc1ccc(Cl)cc1Cl ZINC000013736338 558588573 /nfs/dbraw/zinc/58/85/73/558588573.db2.gz FDCQLZUCPFCEPX-UHFFFAOYSA-N 1 0 411.373 5.012 10 0 HKAERO CC1=C2C[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000013827558 569394376 /nfs/dbraw/zinc/39/43/76/569394376.db2.gz QASFUMOKHFSJGL-QWFZUAEQSA-N 1 0 411.630 5.002 10 0 HKAERO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2C)cnn1-c1cccc2ccccc21 ZINC000014964746 558685351 /nfs/dbraw/zinc/68/53/51/558685351.db2.gz JILMKBDFIKDCRO-HXUWFJFHSA-N 1 0 421.548 5.679 10 0 HKAERO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2C)cnn1-c1cccc2ccccc21 ZINC000014964750 558685486 /nfs/dbraw/zinc/68/54/86/558685486.db2.gz JILMKBDFIKDCRO-FQEVSTJZSA-N 1 0 421.548 5.679 10 0 HKAERO COc1ccc(-c2nc(C[NH+]3CCC(Cc4ccccc4)CC3)c(C)o2)c(OC)c1 ZINC000014971315 558687657 /nfs/dbraw/zinc/68/76/57/558687657.db2.gz MLVHZIMKHRLFPS-UHFFFAOYSA-N 1 0 406.526 5.122 10 0 HKAERO CSc1ccc2cc(C[NH2+]CCn3nc(C)cc3C)c(-c3cccs3)nc2c1 ZINC000015008690 558699566 /nfs/dbraw/zinc/69/95/66/558699566.db2.gz MUDQDKCLGPWZNP-UHFFFAOYSA-N 1 0 408.596 5.288 10 0 HKAERO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)n1 ZINC000015070909 568749158 /nfs/dbraw/zinc/74/91/58/568749158.db2.gz KPKYVYUFPBJBIP-GOSISDBHSA-N 1 0 418.541 5.580 10 0 HKAERO Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)n1 ZINC000015070911 568749202 /nfs/dbraw/zinc/74/92/02/568749202.db2.gz KPKYVYUFPBJBIP-SFHVURJKSA-N 1 0 418.541 5.580 10 0 HKAERO O=C(Nc1ccnn1C1CC[NH+](CCCC2CCCC2)CC1)c1ccccc1Cl ZINC000015070941 558712781 /nfs/dbraw/zinc/71/27/81/558712781.db2.gz FRCNCAWWKBWBEC-UHFFFAOYSA-N 1 0 414.981 5.396 10 0 HKAERO Cc1cccc(NC(=S)N(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000017089685 558818295 /nfs/dbraw/zinc/81/82/95/558818295.db2.gz PARHXORBWXWKHU-UHFFFAOYSA-N 1 0 413.606 5.642 10 0 HKAERO Cc1cc(C)c(NC(=S)N(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000017094113 524305022 /nfs/dbraw/zinc/30/50/22/524305022.db2.gz OKBJAYKBPHQSNC-UHFFFAOYSA-N 1 0 424.658 5.515 10 0 HKAERO C[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000019777389 522102250 /nfs/dbraw/zinc/10/22/50/522102250.db2.gz ZOBFZMAULSKVQG-UHFFFAOYSA-N 1 0 405.119 5.063 10 0 HKAERO C[NH2+]Cc1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000019777391 560875916 /nfs/dbraw/zinc/87/59/16/560875916.db2.gz TYNYUEALKJEVEC-UHFFFAOYSA-N 1 0 405.119 5.063 10 0 HKAERO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@](O)(c4ccccc4)[C@H]4CCCC[C@@H]43)c(C)o2)o1 ZINC000019781970 558281482 /nfs/dbraw/zinc/28/14/82/558281482.db2.gz YMHYURZIPBXVAO-UWDQQESISA-N 1 0 406.526 5.204 10 0 HKAERO OCC1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000019837501 569430865 /nfs/dbraw/zinc/43/08/65/569430865.db2.gz MYZLQWMUWHBFRR-UHFFFAOYSA-N 1 0 414.471 5.071 10 0 HKAERO CCOc1ccccc1CN(C(=O)Nc1cccc(C)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020190098 558344373 /nfs/dbraw/zinc/34/43/73/558344373.db2.gz LSBQNPGEVQINAX-UHFFFAOYSA-N 1 0 423.601 5.737 10 0 HKAERO CCc1ccc(NC(=S)N(Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000020192622 523992902 /nfs/dbraw/zinc/99/29/02/523992902.db2.gz LLTKPFMJXXNWHJ-UHFFFAOYSA-N 1 0 413.631 5.659 10 0 HKAERO CCc1ccccc1NC(=O)N(Cc1ccc(OC)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020213612 558348001 /nfs/dbraw/zinc/34/80/01/558348001.db2.gz AOQGUABBEOOMPG-UHFFFAOYSA-N 1 0 423.601 5.601 10 0 HKAERO CCc1ccccc1NC(=O)N(Cc1ccccc1F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020213622 558348155 /nfs/dbraw/zinc/34/81/55/558348155.db2.gz MNYVYWYNEVCIDV-UHFFFAOYSA-N 1 0 411.565 5.731 10 0 HKAERO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000020321954 568598918 /nfs/dbraw/zinc/59/89/18/568598918.db2.gz JLHCHUCSQJTXFR-QGZVFWFLSA-N 1 0 406.917 5.559 10 0 HKAERO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000020321960 568598789 /nfs/dbraw/zinc/59/87/89/568598789.db2.gz JLHCHUCSQJTXFR-KRWDZBQOSA-N 1 0 406.917 5.559 10 0 HKAERO Cc1c(C[NH2+]CCc2ccccc2F)c2ccccc2n1Cc1ccccc1Cl ZINC000020476739 558374478 /nfs/dbraw/zinc/37/44/78/558374478.db2.gz VKZAPFXUZHWSAP-UHFFFAOYSA-N 1 0 406.932 6.123 10 0 HKAERO Fc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000020476751 558374500 /nfs/dbraw/zinc/37/45/00/558374500.db2.gz SJRWKONIUFNEBN-UHFFFAOYSA-N 1 0 414.318 5.500 10 0 HKAERO Fc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000020476778 526330048 /nfs/dbraw/zinc/33/00/48/526330048.db2.gz QDDJDYNSENVFEV-UHFFFAOYSA-N 1 0 414.318 5.500 10 0 HKAERO CCN(CC)CC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000020477566 520686569 /nfs/dbraw/zinc/68/65/69/520686569.db2.gz NPOZDUNYJKEVKO-UHFFFAOYSA-N 1 0 404.385 5.428 10 0 HKAERO CC(C)c1ccc(NC(=O)N(Cc2cccs2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000020550330 519837364 /nfs/dbraw/zinc/83/73/64/519837364.db2.gz FJMPFRBRHJJPNR-UHFFFAOYSA-N 1 0 413.631 6.215 10 0 HKAERO CC1(C)CC(N(Cc2ccccn2)C(=S)Nc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000020568222 520283464 /nfs/dbraw/zinc/28/34/64/520283464.db2.gz JVJOFGLJLNKBSM-UHFFFAOYSA-N 1 0 417.022 5.243 10 0 HKAERO CC1(C)CC(N(Cc2ccccn2)C(=S)Nc2cccc(Cl)c2)CC(C)(C)[NH2+]1 ZINC000020568224 520282121 /nfs/dbraw/zinc/28/21/21/520282121.db2.gz ICYHRGALYWTYDW-UHFFFAOYSA-N 1 0 417.022 5.243 10 0 HKAERO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2csc3c2CCCC3)CC1 ZINC000020597767 527410495 /nfs/dbraw/zinc/41/04/95/527410495.db2.gz IBMILSFPZNPMJP-UHFFFAOYSA-N 1 0 422.516 5.496 10 0 HKAERO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873797 558418360 /nfs/dbraw/zinc/41/83/60/558418360.db2.gz BCGDSWNWIWCROO-UHFFFAOYSA-N 1 0 418.375 5.767 10 0 HKAERO COc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873821 558418328 /nfs/dbraw/zinc/41/83/28/558418328.db2.gz MJFMOKTWCREQSL-UHFFFAOYSA-N 1 0 404.348 5.377 10 0 HKAERO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873847 558418335 /nfs/dbraw/zinc/41/83/35/558418335.db2.gz DTFCIEBKZVQWOS-UHFFFAOYSA-N 1 0 406.364 5.625 10 0 HKAERO CCCCCC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873849 558418262 /nfs/dbraw/zinc/41/82/62/558418262.db2.gz XOQACRFGEHXKJD-UHFFFAOYSA-N 1 0 420.391 6.015 10 0 HKAERO COc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1OCc1ccc(C)cc1 ZINC000020873925 558418349 /nfs/dbraw/zinc/41/83/49/558418349.db2.gz KRNYSSRKIMQGRS-PDGJQCAJSA-N 1 0 419.609 6.421 10 0 HKAERO COc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1OCc1ccc(C)cc1 ZINC000020873996 558418313 /nfs/dbraw/zinc/41/83/13/558418313.db2.gz DSZMCAMGYOCYMA-UHFFFAOYSA-N 1 0 400.522 5.396 10 0 HKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020874150 558418337 /nfs/dbraw/zinc/41/83/37/558418337.db2.gz KPQSVXVHXCOZDJ-UHFFFAOYSA-N 1 0 411.589 6.786 10 0 HKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000020874156 558418698 /nfs/dbraw/zinc/41/86/98/558418698.db2.gz BSZXNVWLFSFBNA-UHFFFAOYSA-N 1 0 411.589 6.642 10 0 HKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000020874171 558418636 /nfs/dbraw/zinc/41/86/36/558418636.db2.gz ZJISZXYOJLVPKO-UHFFFAOYSA-N 1 0 401.937 6.670 10 0 HKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000020874201 558418665 /nfs/dbraw/zinc/41/86/65/558418665.db2.gz SPYYKEXWNDOPFN-UHFFFAOYSA-N 1 0 411.501 5.746 10 0 HKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000020874237 558418659 /nfs/dbraw/zinc/41/86/59/558418659.db2.gz RIFIWLUXAZUIBY-UHFFFAOYSA-N 1 0 420.556 6.541 10 0 HKAERO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(C)cc1 ZINC000020874281 558418695 /nfs/dbraw/zinc/41/86/95/558418695.db2.gz ZCJWPWZZTAMGAE-UHFFFAOYSA-N 1 0 405.582 6.031 10 0 HKAERO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(C)cc1 ZINC000020874287 558418618 /nfs/dbraw/zinc/41/86/18/558418618.db2.gz XMZMFZUFLIGAME-UHFFFAOYSA-N 1 0 405.582 5.887 10 0 HKAERO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 ZINC000020874358 558418683 /nfs/dbraw/zinc/41/86/83/558418683.db2.gz BGMJAHXRRUKCFR-UHFFFAOYSA-N 1 0 405.538 5.314 10 0 HKAERO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 ZINC000020874378 558418548 /nfs/dbraw/zinc/41/85/48/558418548.db2.gz DHUFXYLTTQBZFU-UHFFFAOYSA-N 1 0 414.549 5.786 10 0 HKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000020874554 558418661 /nfs/dbraw/zinc/41/86/61/558418661.db2.gz DSFJPOOMQRDPPS-GOSISDBHSA-N 1 0 410.355 6.187 10 0 HKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000020874556 558418575 /nfs/dbraw/zinc/41/85/75/558418575.db2.gz DSFJPOOMQRDPPS-SFHVURJKSA-N 1 0 410.355 6.187 10 0 HKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]CCc2ccccc2)cc1 ZINC000020874564 558418555 /nfs/dbraw/zinc/41/85/55/558418555.db2.gz MXUWXAYGVBIMGZ-UHFFFAOYSA-N 1 0 410.355 5.669 10 0 HKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2cccs2)cc1 ZINC000020874573 558418607 /nfs/dbraw/zinc/41/86/07/558418607.db2.gz IEJYYJWBICPWRJ-UHFFFAOYSA-N 1 0 402.357 5.688 10 0 HKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000020874616 558418596 /nfs/dbraw/zinc/41/85/96/558418596.db2.gz BTJWSXPUXUXLPO-UHFFFAOYSA-N 1 0 414.318 5.765 10 0 HKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCCCC2)cc1 ZINC000020874650 558418692 /nfs/dbraw/zinc/41/86/92/558418692.db2.gz GJDGGQFPALYYOG-UHFFFAOYSA-N 1 0 402.376 6.149 10 0 HKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000020874654 558418564 /nfs/dbraw/zinc/41/85/64/558418564.db2.gz XIWUTJXCDSHTMQ-UHFFFAOYSA-N 1 0 418.419 6.641 10 0 HKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCCCCC2)cc1 ZINC000020874656 558418642 /nfs/dbraw/zinc/41/86/42/558418642.db2.gz CZNGEVKVHHYLBS-UHFFFAOYSA-N 1 0 416.403 6.539 10 0 HKAERO Cc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 ZINC000020874659 558418647 /nfs/dbraw/zinc/41/86/47/558418647.db2.gz CFJOKTAYZMTSHY-UHFFFAOYSA-N 1 0 410.355 5.935 10 0 HKAERO CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874673 568460561 /nfs/dbraw/zinc/46/05/61/568460561.db2.gz CRIWMEKWPZWKKR-UHFFFAOYSA-N 1 0 406.364 5.623 10 0 HKAERO CCCC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874697 558418634 /nfs/dbraw/zinc/41/86/34/558418634.db2.gz VDLJKFTXKKLXKQ-UHFFFAOYSA-N 1 0 406.364 5.625 10 0 HKAERO CCOc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874698 558418587 /nfs/dbraw/zinc/41/85/87/558418587.db2.gz PMSUIFXDXNEZLW-UHFFFAOYSA-N 1 0 418.375 5.767 10 0 HKAERO CCCCC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874725 558418792 /nfs/dbraw/zinc/41/87/92/558418792.db2.gz NLYZMDYFYXFJMV-UHFFFAOYSA-N 1 0 420.391 6.015 10 0 HKAERO CCOc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874729 568460571 /nfs/dbraw/zinc/46/05/71/568460571.db2.gz NXYOIFXKOVLGKY-UHFFFAOYSA-N 1 0 406.364 5.481 10 0 HKAERO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874818 558418804 /nfs/dbraw/zinc/41/88/04/558418804.db2.gz KEQHKJLLJBSEFT-IBGZPJMESA-N 1 0 409.957 6.477 10 0 HKAERO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874820 558418908 /nfs/dbraw/zinc/41/89/08/558418908.db2.gz KEQHKJLLJBSEFT-LJQANCHMSA-N 1 0 409.957 6.477 10 0 HKAERO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874828 558418888 /nfs/dbraw/zinc/41/88/88/558418888.db2.gz CTZHRTYRCNUVFX-UHFFFAOYSA-N 1 0 409.957 5.958 10 0 HKAERO CCOc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874841 558418884 /nfs/dbraw/zinc/41/88/84/558418884.db2.gz DAZLJQCUNQZEHY-UHFFFAOYSA-N 1 0 401.959 5.977 10 0 HKAERO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874884 558418913 /nfs/dbraw/zinc/41/89/13/558418913.db2.gz XYXMGKHASFOWJP-UHFFFAOYSA-N 1 0 413.920 6.055 10 0 HKAERO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874915 558418922 /nfs/dbraw/zinc/41/89/22/558418922.db2.gz GFNGWVMHWRWCBS-UHFFFAOYSA-N 1 0 401.978 6.439 10 0 HKAERO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874921 558418794 /nfs/dbraw/zinc/41/87/94/558418794.db2.gz LDQMEHTUZWZWCA-UHFFFAOYSA-N 1 0 418.021 6.931 10 0 HKAERO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874923 558418866 /nfs/dbraw/zinc/41/88/66/558418866.db2.gz LZVZQMYSXWAJON-UHFFFAOYSA-N 1 0 416.005 6.829 10 0 HKAERO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874927 558418874 /nfs/dbraw/zinc/41/88/74/558418874.db2.gz VKMBVGDPQILEMV-UHFFFAOYSA-N 1 0 409.957 6.224 10 0 HKAERO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874960 558418896 /nfs/dbraw/zinc/41/88/96/558418896.db2.gz JPXDDFSFRJOEEY-UHFFFAOYSA-N 1 0 416.348 6.179 10 0 HKAERO COc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875003 558418817 /nfs/dbraw/zinc/41/88/17/558418817.db2.gz HHJJDJXCSJBPSE-UHFFFAOYSA-N 1 0 413.920 5.707 10 0 HKAERO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875005 558418904 /nfs/dbraw/zinc/41/89/04/558418904.db2.gz NJHQVDKLCCQIBT-UHFFFAOYSA-N 1 0 413.920 5.707 10 0 HKAERO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875025 558418797 /nfs/dbraw/zinc/41/87/97/558418797.db2.gz QBECEPCIWLWNIB-JOCHJYFZSA-N 1 0 411.929 5.059 10 0 HKAERO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875027 558418812 /nfs/dbraw/zinc/41/88/12/558418812.db2.gz QBECEPCIWLWNIB-QFIPXVFZSA-N 1 0 411.929 5.059 10 0 HKAERO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875051 558418851 /nfs/dbraw/zinc/41/88/51/558418851.db2.gz DKKGJFKSAPRLRC-UHFFFAOYSA-N 1 0 403.994 6.540 10 0 HKAERO COc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875053 558418826 /nfs/dbraw/zinc/41/88/26/558418826.db2.gz DTQFXVDSADXPNQ-UHFFFAOYSA-N 1 0 401.978 6.439 10 0 HKAERO COc1ccc(C[NH2+]Cc2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000020875059 558418830 /nfs/dbraw/zinc/41/88/30/558418830.db2.gz JOBVFISGONLIQQ-UHFFFAOYSA-N 1 0 411.929 5.534 10 0 HKAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000020875082 558418919 /nfs/dbraw/zinc/41/89/19/558418919.db2.gz VLTNXSVQHPSIIQ-AEXOJCPESA-N 1 0 424.028 7.066 10 0 HKAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000020875175 558418780 /nfs/dbraw/zinc/41/87/80/558418780.db2.gz LGOJNRRACIMPJJ-UHFFFAOYSA-N 1 0 404.941 6.041 10 0 HKAERO Clc1cc(Br)ccc1-c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)o1 ZINC000020875592 558419054 /nfs/dbraw/zinc/41/90/54/558419054.db2.gz XSDVOLOGIXMZDV-UHFFFAOYSA-N 1 0 420.778 6.421 10 0 HKAERO Clc1cc(Br)ccc1-c1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)o1 ZINC000020875598 558419182 /nfs/dbraw/zinc/41/91/82/558419182.db2.gz GIPLFDJHQUJUDR-UHFFFAOYSA-N 1 0 420.778 6.277 10 0 HKAERO Fc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875668 558419174 /nfs/dbraw/zinc/41/91/74/558419174.db2.gz ZJTXGIRNEHWFSD-UHFFFAOYSA-N 1 0 408.698 5.834 10 0 HKAERO Fc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3Cl)o2)cc1 ZINC000020875670 558419117 /nfs/dbraw/zinc/41/91/17/558419117.db2.gz KUEAEDFSOWUNAR-UHFFFAOYSA-N 1 0 408.698 5.834 10 0 HKAERO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3Cl)o2)cc1 ZINC000020875672 558419142 /nfs/dbraw/zinc/41/91/42/558419142.db2.gz OARYINFINRLZHQ-UHFFFAOYSA-N 1 0 420.734 5.703 10 0 HKAERO O[C@@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1)c1ccccc1 ZINC000020875687 558419059 /nfs/dbraw/zinc/41/90/59/558419059.db2.gz FOZUAPDMIRYCEW-SFHVURJKSA-N 1 0 406.707 5.186 10 0 HKAERO O[C@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1)c1ccccc1 ZINC000020875689 558419184 /nfs/dbraw/zinc/41/91/84/558419184.db2.gz FOZUAPDMIRYCEW-GOSISDBHSA-N 1 0 406.707 5.186 10 0 HKAERO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(Br)cc3Cl)o2)cc1 ZINC000020875719 558419036 /nfs/dbraw/zinc/41/90/36/558419036.db2.gz GTFIWLBTTVGKIQ-UHFFFAOYSA-N 1 0 406.707 5.661 10 0 HKAERO Cc1cc(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)ccc1Br ZINC000020875733 558419086 /nfs/dbraw/zinc/41/90/86/558419086.db2.gz KGXBKFZCSGGFBR-UHFFFAOYSA-N 1 0 400.360 6.076 10 0 HKAERO Cc1cc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)ccc1Br ZINC000020875739 558419128 /nfs/dbraw/zinc/41/91/28/558419128.db2.gz UEKNYNLIUBNBQK-UHFFFAOYSA-N 1 0 400.360 5.932 10 0 HKAERO Cc1cc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)ccc1Br ZINC000020875793 558419150 /nfs/dbraw/zinc/41/91/50/558419150.db2.gz VWYAQNDMHDRSCM-UHFFFAOYSA-N 1 0 400.272 5.036 10 0 HKAERO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Br)c(C)c3)o2)cc1 ZINC000020875811 558419065 /nfs/dbraw/zinc/41/90/65/558419065.db2.gz QGAPVZRTODVIFU-UHFFFAOYSA-N 1 0 400.316 5.358 10 0 HKAERO Cc1cc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)ccc1Br ZINC000020875832 558419135 /nfs/dbraw/zinc/41/91/35/558419135.db2.gz ASELQWVCTGVAER-UHFFFAOYSA-N 1 0 409.327 5.831 10 0 HKAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)o1 ZINC000020875873 558419139 /nfs/dbraw/zinc/41/91/39/558419139.db2.gz NGIPCBCYNYLFET-UHFFFAOYSA-N 1 0 400.360 6.076 10 0 HKAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)o1 ZINC000020875879 558419220 /nfs/dbraw/zinc/41/92/20/558419220.db2.gz NWAMOCSWMCIRGL-UHFFFAOYSA-N 1 0 400.360 5.932 10 0 HKAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)o1 ZINC000020875925 558419158 /nfs/dbraw/zinc/41/91/58/558419158.db2.gz AIPAEMQVRSCAJP-UHFFFAOYSA-N 1 0 400.272 5.036 10 0 HKAERO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3C)o2)cc1 ZINC000020875941 558419044 /nfs/dbraw/zinc/41/90/44/558419044.db2.gz HUNHTYXMYTZDAM-UHFFFAOYSA-N 1 0 400.316 5.358 10 0 HKAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)o1 ZINC000020875959 558419131 /nfs/dbraw/zinc/41/91/31/558419131.db2.gz DQIGYHJGIUFSMD-UHFFFAOYSA-N 1 0 409.327 5.831 10 0 HKAERO COc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccc(F)cc1Cl ZINC000020876237 558419435 /nfs/dbraw/zinc/41/94/35/558419435.db2.gz KTBMWJHNKDASTB-UHFFFAOYSA-N 1 0 417.883 5.538 10 0 HKAERO COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OCc1ccc(F)cc1Cl ZINC000020876239 558419343 /nfs/dbraw/zinc/41/93/43/558419343.db2.gz HOUUACSCPXUFRB-UHFFFAOYSA-N 1 0 417.883 5.538 10 0 HKAERO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccc(F)cc1Cl ZINC000020876245 558419277 /nfs/dbraw/zinc/41/92/77/558419277.db2.gz DVIZPPQADBIJFX-UHFFFAOYSA-N 1 0 403.856 5.496 10 0 HKAERO COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccc(F)cc1Cl ZINC000020876282 558419407 /nfs/dbraw/zinc/41/94/07/558419407.db2.gz UVZIVNOKTHEZBM-UHFFFAOYSA-N 1 0 407.957 6.371 10 0 HKAERO COc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1ccc(F)cc1Cl ZINC000020876284 558419296 /nfs/dbraw/zinc/41/92/96/558419296.db2.gz GENAQBKNBVHCRL-UHFFFAOYSA-N 1 0 405.941 6.269 10 0 HKAERO COc1ccc(C[NH2+]Cc2cccc(OC)c2OCc2ccc(F)cc2Cl)cc1 ZINC000020876290 558419289 /nfs/dbraw/zinc/41/92/89/558419289.db2.gz RPWCCRBNDYOLHR-UHFFFAOYSA-N 1 0 415.892 5.365 10 0 HKAERO CC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000020876340 568460656 /nfs/dbraw/zinc/46/06/56/568460656.db2.gz PKTOVQWIMFYBIV-UHFFFAOYSA-N 1 0 419.146 5.453 10 0 HKAERO Clc1ccc(COc2ccc(C[NH2+]Cc3cccs3)cc2Br)cc1 ZINC000020876445 558419412 /nfs/dbraw/zinc/41/94/12/558419412.db2.gz TWZPVUMSDJMBNT-UHFFFAOYSA-N 1 0 422.775 6.033 10 0 HKAERO CCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876453 558419273 /nfs/dbraw/zinc/41/92/73/558419273.db2.gz PRAGCUVOUGMJIM-UHFFFAOYSA-N 1 0 412.755 5.198 10 0 HKAERO CCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876461 558419380 /nfs/dbraw/zinc/41/93/80/558419380.db2.gz DGNQOCAJEYWBQA-UHFFFAOYSA-N 1 0 410.783 6.351 10 0 HKAERO Clc1ccc(COc2ccc(C[NH2+]Cc3ccncc3)cc2Br)cc1 ZINC000020876489 558419417 /nfs/dbraw/zinc/41/94/17/558419417.db2.gz HTAQEWUHALDFDS-UHFFFAOYSA-N 1 0 417.734 5.366 10 0 HKAERO Clc1ccc(COc2ccc(C[NH2+]Cc3ccccn3)cc2Br)cc1 ZINC000020876495 558419298 /nfs/dbraw/zinc/41/92/98/558419298.db2.gz RMODYMKBYQTUCQ-UHFFFAOYSA-N 1 0 417.734 5.366 10 0 HKAERO Clc1ccc(COc2ccc(C[NH2+]C3CCCCCC3)cc2Br)cc1 ZINC000020876525 558419269 /nfs/dbraw/zinc/41/92/69/558419269.db2.gz VHXMBRYPMHSONQ-UHFFFAOYSA-N 1 0 422.794 6.494 10 0 HKAERO Clc1ccc(COc2ccc(C[NH2+]Cc3ccco3)cc2Br)cc1 ZINC000020876535 558419355 /nfs/dbraw/zinc/41/93/55/558419355.db2.gz MZILNVMVAQLWRY-UHFFFAOYSA-N 1 0 406.707 5.564 10 0 HKAERO CCCOc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Br ZINC000020925823 558423578 /nfs/dbraw/zinc/42/35/78/558423578.db2.gz DDRVFPIZSDVKLG-QFWMWPAFSA-N 1 0 406.408 6.077 10 0 HKAERO CCCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1Br ZINC000020926156 558423687 /nfs/dbraw/zinc/42/36/87/558423687.db2.gz SRVAVMRKQRONTB-UHFFFAOYSA-N 1 0 417.174 5.877 10 0 HKAERO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1Cl ZINC000020926608 558423706 /nfs/dbraw/zinc/42/37/06/558423706.db2.gz ADIUMPZYLGPEPV-UHFFFAOYSA-N 1 0 407.168 6.421 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]Cc2ccccc2)cc1Br ZINC000020926648 558423608 /nfs/dbraw/zinc/42/36/08/558423608.db2.gz SKSOMATVYILBNC-UHFFFAOYSA-N 1 0 413.153 5.290 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]C2CCCCC2)cc1Br ZINC000020926654 558423732 /nfs/dbraw/zinc/42/37/32/558423732.db2.gz YNCABRAZOGBFRE-UHFFFAOYSA-N 1 0 405.174 5.423 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]Cc2cccs2)cc1Br ZINC000020926769 558423739 /nfs/dbraw/zinc/42/37/39/558423739.db2.gz IVQZDZJRWINXPO-UHFFFAOYSA-N 1 0 419.182 5.352 10 0 HKAERO CCCCCC[NH2+]Cc1cc(Br)c(OCCC)c(Br)c1 ZINC000020926811 558423755 /nfs/dbraw/zinc/42/37/55/558423755.db2.gz HWUUUKPJXRPMNZ-UHFFFAOYSA-N 1 0 407.190 5.670 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]C2CCCCCC2)cc1Br ZINC000020926902 558423872 /nfs/dbraw/zinc/42/38/72/558423872.db2.gz IOEBEVFLAGKOEI-UHFFFAOYSA-N 1 0 419.201 5.813 10 0 HKAERO COc1c(Br)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Br ZINC000020927353 568460678 /nfs/dbraw/zinc/46/06/78/568460678.db2.gz GCAPUGDMNZSERS-UHFFFAOYSA-N 1 0 407.190 5.525 10 0 HKAERO COc1c(Br)cc(C[NH2+]C2CCCCCCC2)cc1Br ZINC000020927359 568460708 /nfs/dbraw/zinc/46/07/08/568460708.db2.gz GOGFRVBTFGLENG-UHFFFAOYSA-N 1 0 405.174 5.423 10 0 HKAERO CCCOc1ccc(Br)cc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000020929146 568460728 /nfs/dbraw/zinc/46/07/28/568460728.db2.gz DYWNYWLUVBDAKK-NJMHRBNOSA-N 1 0 406.408 6.077 10 0 HKAERO CCCOc1ccc(Br)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020929511 568460761 /nfs/dbraw/zinc/46/07/61/568460761.db2.gz PISTXYITFSJHNN-UHFFFAOYSA-N 1 0 417.174 5.877 10 0 HKAERO CCCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccccc1 ZINC000020929554 558423953 /nfs/dbraw/zinc/42/39/53/558423953.db2.gz SRFXHLKSPALFEQ-UHFFFAOYSA-N 1 0 413.153 5.290 10 0 HKAERO CCCOc1c(Br)cc(Br)cc1C[NH2+]C1CCCCC1 ZINC000020929560 558423907 /nfs/dbraw/zinc/42/39/07/558423907.db2.gz IZZHUEVEVQLKMX-UHFFFAOYSA-N 1 0 405.174 5.423 10 0 HKAERO CCCCCC[NH2+]Cc1cc(Br)cc(Br)c1OCCC ZINC000020929711 558423959 /nfs/dbraw/zinc/42/39/59/558423959.db2.gz NRRSEEZYIPEVIT-UHFFFAOYSA-N 1 0 407.190 5.670 10 0 HKAERO CCCOc1c(Br)cc(Br)cc1C[NH2+]C1CCCCCC1 ZINC000020929813 558423941 /nfs/dbraw/zinc/42/39/41/558423941.db2.gz KLRSUBXAOGUZBG-UHFFFAOYSA-N 1 0 419.201 5.813 10 0 HKAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020930407 558424149 /nfs/dbraw/zinc/42/41/49/558424149.db2.gz SEVKRUQIYDLAGR-UHFFFAOYSA-N 1 0 407.168 6.421 10 0 HKAERO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OC ZINC000020931733 558424180 /nfs/dbraw/zinc/42/41/80/558424180.db2.gz UJBYNLYTDGPXDW-UHFFFAOYSA-N 1 0 402.749 5.777 10 0 HKAERO CCCOc1c(Cl)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1OCC ZINC000020931821 558424105 /nfs/dbraw/zinc/42/41/05/558424105.db2.gz ZKYOYUBHHWYANW-SYQRVOMBSA-N 1 0 406.010 6.366 10 0 HKAERO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OCC ZINC000020932189 558424116 /nfs/dbraw/zinc/42/41/16/558424116.db2.gz WRTGMNIWJHOONG-UHFFFAOYSA-N 1 0 416.776 6.167 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OCC ZINC000020932256 558424110 /nfs/dbraw/zinc/42/41/10/558424110.db2.gz HKDAETLHAZZWHA-UHFFFAOYSA-N 1 0 422.407 5.695 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OCC ZINC000020932274 558424157 /nfs/dbraw/zinc/42/41/57/558424157.db2.gz NCZLGHHSEIDZDW-UHFFFAOYSA-N 1 0 422.407 5.551 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]Cc2ccccc2Cl)cc1OCC ZINC000020932319 558424098 /nfs/dbraw/zinc/42/40/98/558424098.db2.gz TZPBHRGJUSBJHE-UHFFFAOYSA-N 1 0 412.755 5.580 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]CCc2ccccc2F)cc1OCC ZINC000020932443 558424071 /nfs/dbraw/zinc/42/40/71/558424071.db2.gz TZXCELMQMUCNGT-UHFFFAOYSA-N 1 0 410.327 5.108 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]CCc2ccc(F)cc2)cc1OCC ZINC000020932449 558424061 /nfs/dbraw/zinc/42/40/61/558424061.db2.gz ICECXDSTJXXLMZ-UHFFFAOYSA-N 1 0 410.327 5.108 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1OCC ZINC000020932511 558424402 /nfs/dbraw/zinc/42/44/02/558424402.db2.gz DFNNKHSIGVNPMS-UHFFFAOYSA-N 1 0 400.401 5.941 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+][C@@H](C)CCc2ccccc2)cc1OCC ZINC000020932649 558424315 /nfs/dbraw/zinc/42/43/15/558424315.db2.gz GMWVMPIHOHCIRG-KRWDZBQOSA-N 1 0 420.391 5.748 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+][C@H](C)CCc2ccccc2)cc1OCC ZINC000020932655 558424407 /nfs/dbraw/zinc/42/44/07/558424407.db2.gz GMWVMPIHOHCIRG-QGZVFWFLSA-N 1 0 420.391 5.748 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000020932690 568460771 /nfs/dbraw/zinc/46/07/71/568460771.db2.gz BRHBAOORVZZSOM-UHFFFAOYSA-N 1 0 408.380 5.305 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC ZINC000020932707 568460663 /nfs/dbraw/zinc/46/06/63/568460663.db2.gz DUGZLZPUGDWIQW-UHFFFAOYSA-N 1 0 408.380 5.161 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC ZINC000020932933 558424377 /nfs/dbraw/zinc/42/43/77/558424377.db2.gz UFRMYDINFYMFNE-UHFFFAOYSA-N 1 0 417.347 5.060 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+]CCc2ccc(Cl)cc2)cc1OC ZINC000020933069 568460764 /nfs/dbraw/zinc/46/07/64/568460764.db2.gz YLTRKUQSUWZTDO-UHFFFAOYSA-N 1 0 412.755 5.232 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+][C@@H](C)CCc2ccccc2)cc1OC ZINC000020933105 568460746 /nfs/dbraw/zinc/46/07/46/568460746.db2.gz ZOSCROCHBRNESH-INIZCTEOSA-N 1 0 406.364 5.357 10 0 HKAERO CCCOc1c(Br)cc(C[NH2+][C@H](C)CCc2ccccc2)cc1OC ZINC000020933111 568460734 /nfs/dbraw/zinc/46/07/34/568460734.db2.gz ZOSCROCHBRNESH-MRXNPFEDSA-N 1 0 406.364 5.357 10 0 HKAERO COc1cc(Br)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1OC ZINC000020933624 558424397 /nfs/dbraw/zinc/42/43/97/558424397.db2.gz ZICYGQIJESBLKJ-DELCKGKKSA-N 1 0 408.380 5.305 10 0 HKAERO COc1cc(Br)cc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1OC ZINC000020933993 558424354 /nfs/dbraw/zinc/42/43/54/558424354.db2.gz HBXHJPVDHYTCTM-UHFFFAOYSA-N 1 0 419.146 5.105 10 0 HKAERO CCCOc1c(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)cc1OC ZINC000020934054 558424400 /nfs/dbraw/zinc/42/44/00/558424400.db2.gz YTVOAWRXVIOMGH-UHFFFAOYSA-N 1 0 408.380 5.305 10 0 HKAERO CCCOc1c(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)cc1OC ZINC000020934071 558424364 /nfs/dbraw/zinc/42/43/64/558424364.db2.gz FHMJYWVIFCJCBW-UHFFFAOYSA-N 1 0 408.380 5.161 10 0 HKAERO CCCOc1c(C[NH2+]CCc2c[nH]c3ccccc23)cc(Br)cc1OC ZINC000020934299 558424328 /nfs/dbraw/zinc/42/43/28/558424328.db2.gz BUYHTNZLFRKTTK-UHFFFAOYSA-N 1 0 417.347 5.060 10 0 HKAERO CCCOc1c(C[NH2+]CCc2ccc(Cl)cc2)cc(Br)cc1OC ZINC000020934433 558424417 /nfs/dbraw/zinc/42/44/17/558424417.db2.gz WYZNPLIGDBDELX-UHFFFAOYSA-N 1 0 412.755 5.232 10 0 HKAERO CCCOc1c(C[NH2+][C@@H](C)CCc2ccccc2)cc(Br)cc1OC ZINC000020934466 558424384 /nfs/dbraw/zinc/42/43/84/558424384.db2.gz ZUSZWZOAQKDGJK-INIZCTEOSA-N 1 0 406.364 5.357 10 0 HKAERO CCCOc1c(C[NH2+][C@H](C)CCc2ccccc2)cc(Br)cc1OC ZINC000020934472 558424298 /nfs/dbraw/zinc/42/42/98/558424298.db2.gz ZUSZWZOAQKDGJK-MRXNPFEDSA-N 1 0 406.364 5.357 10 0 HKAERO C[C@@H]([NH2+][C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000022053834 558460032 /nfs/dbraw/zinc/46/00/32/558460032.db2.gz YTFUQWWKTIWYEY-GAZXMLTASA-N 1 0 406.957 5.885 10 0 in-vitro HKAERO COc1cccc([C@@]2(O)CCCC[C@@H]2C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000022056767 558460022 /nfs/dbraw/zinc/46/00/22/558460022.db2.gz UUCCCVCIZKKOEK-IAPPQJPRSA-N 1 0 415.577 5.775 10 0 in-vitro HKAERO COc1cccc([C@]2(O)CCCC[C@@H]2C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000022056772 558460102 /nfs/dbraw/zinc/46/01/02/558460102.db2.gz UUCCCVCIZKKOEK-IXCJQBJRSA-N 1 0 415.577 5.775 10 0 in-vitro HKAERO COc1cccc([C@@]2(O)CCCC[C@H]2C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000022056777 558459990 /nfs/dbraw/zinc/45/99/90/558459990.db2.gz UUCCCVCIZKKOEK-XCZPVHLTSA-N 1 0 415.577 5.775 10 0 in-vitro HKAERO COc1cccc([C@]2(O)CCCC[C@H]2C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000022056781 558460103 /nfs/dbraw/zinc/46/01/03/558460103.db2.gz UUCCCVCIZKKOEK-XTEPFMGCSA-N 1 0 415.577 5.775 10 0 in-vitro HKAERO CC/C(=C(\c1ccccc1)c1ccc(OCC[N@H+](C)CCO)cc1)c1ccccc1 ZINC000022063181 558460823 /nfs/dbraw/zinc/46/08/23/558460823.db2.gz UCDLLZADXLRSGZ-RQZHXJHFSA-N 1 0 401.550 5.359 10 0 in-vitro HKAERO CC(C)(C)[NH2+]C[C@@H](O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000022066697 558461315 /nfs/dbraw/zinc/46/13/15/558461315.db2.gz QFBOZEACKUKEBR-RUZDIDTESA-N 1 0 405.538 5.266 10 0 in-vitro HKAERO CC(C)(C)[NH2+]C[C@H](O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000022066700 558461347 /nfs/dbraw/zinc/46/13/47/558461347.db2.gz QFBOZEACKUKEBR-VWLOTQADSA-N 1 0 405.538 5.266 10 0 in-vitro HKAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022935862 558526480 /nfs/dbraw/zinc/52/64/80/558526480.db2.gz DBPMEYBKCNQVFN-QGZVFWFLSA-N 1 0 423.384 5.155 10 0 HKAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022935865 558526432 /nfs/dbraw/zinc/52/64/32/558526432.db2.gz DBPMEYBKCNQVFN-KRWDZBQOSA-N 1 0 423.384 5.155 10 0 HKAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000022935875 558526824 /nfs/dbraw/zinc/52/68/24/558526824.db2.gz INSSNMSSYDLDBM-GOSISDBHSA-N 1 0 423.384 5.155 10 0 HKAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000022935877 558526761 /nfs/dbraw/zinc/52/67/61/558526761.db2.gz INSSNMSSYDLDBM-SFHVURJKSA-N 1 0 423.384 5.155 10 0 HKAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022936009 558526792 /nfs/dbraw/zinc/52/67/92/558526792.db2.gz LKARNESZOMLROY-LJQANCHMSA-N 1 0 423.384 5.155 10 0 HKAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022936012 558526831 /nfs/dbraw/zinc/52/68/31/558526831.db2.gz LKARNESZOMLROY-IBGZPJMESA-N 1 0 423.384 5.155 10 0 HKAERO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000022936048 558526783 /nfs/dbraw/zinc/52/67/83/558526783.db2.gz RCBAGGYUCXUVBL-LJQANCHMSA-N 1 0 423.384 5.155 10 0 HKAERO CC[N@@H+]1CCC[C@H]1CNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000022936050 558526817 /nfs/dbraw/zinc/52/68/17/558526817.db2.gz RCBAGGYUCXUVBL-IBGZPJMESA-N 1 0 423.384 5.155 10 0 HKAERO CCN1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022936056 558526582 /nfs/dbraw/zinc/52/65/82/558526582.db2.gz NPXBODOKEKAFFP-JOCHJYFZSA-N 1 0 408.973 5.646 10 0 HKAERO CCN1CCC[C@H]1C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022936058 558526725 /nfs/dbraw/zinc/52/67/25/558526725.db2.gz NPXBODOKEKAFFP-QFIPXVFZSA-N 1 0 408.973 5.646 10 0 HKAERO CCN1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022936060 558526865 /nfs/dbraw/zinc/52/68/65/558526865.db2.gz FFVYYHKCWGBDMH-OAQYLSRUSA-N 1 0 408.973 5.646 10 0 HKAERO CCN1CCC[C@H]1C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022936063 558526742 /nfs/dbraw/zinc/52/67/42/558526742.db2.gz FFVYYHKCWGBDMH-NRFANRHFSA-N 1 0 408.973 5.646 10 0 HKAERO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022936266 558526849 /nfs/dbraw/zinc/52/68/49/558526849.db2.gz UYCIHDRIWMCVFU-FQEVSTJZSA-N 1 0 420.956 5.031 10 0 HKAERO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022936269 558526654 /nfs/dbraw/zinc/52/66/54/558526654.db2.gz UYCIHDRIWMCVFU-HXUWFJFHSA-N 1 0 420.956 5.031 10 0 HKAERO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CC)cc(Cl)c1OCc1ccccc1F ZINC000022936272 558526621 /nfs/dbraw/zinc/52/66/21/558526621.db2.gz VYABUJIWXNNOAB-IBGZPJMESA-N 1 0 420.956 5.031 10 0 HKAERO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)cc(Cl)c1OCc1ccccc1F ZINC000022936275 558526663 /nfs/dbraw/zinc/52/66/63/558526663.db2.gz VYABUJIWXNNOAB-LJQANCHMSA-N 1 0 420.956 5.031 10 0 HKAERO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022936283 558526716 /nfs/dbraw/zinc/52/67/16/558526716.db2.gz YQESSWOVULEAAF-LJQANCHMSA-N 1 0 423.384 5.155 10 0 HKAERO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022936285 558527023 /nfs/dbraw/zinc/52/70/23/558527023.db2.gz YQESSWOVULEAAF-IBGZPJMESA-N 1 0 423.384 5.155 10 0 HKAERO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022936288 558527169 /nfs/dbraw/zinc/52/71/69/558527169.db2.gz XNKJBAXFJQVDEV-GOSISDBHSA-N 1 0 423.384 5.155 10 0 HKAERO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022936290 558527038 /nfs/dbraw/zinc/52/70/38/558527038.db2.gz XNKJBAXFJQVDEV-SFHVURJKSA-N 1 0 423.384 5.155 10 0 HKAERO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000022936758 558527183 /nfs/dbraw/zinc/52/71/83/558527183.db2.gz HZSKAYIVLFYJPH-HXUWFJFHSA-N 1 0 407.385 5.455 10 0 HKAERO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000022936761 558527143 /nfs/dbraw/zinc/52/71/43/558527143.db2.gz HZSKAYIVLFYJPH-FQEVSTJZSA-N 1 0 407.385 5.455 10 0 HKAERO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CC)cc(Cl)c1OCc1ccc(C)cc1 ZINC000022936788 558527065 /nfs/dbraw/zinc/52/70/65/558527065.db2.gz NGVVPRRWNGYYBJ-NRFANRHFSA-N 1 0 416.993 5.200 10 0 HKAERO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)cc(Cl)c1OCc1ccc(C)cc1 ZINC000022936791 558527100 /nfs/dbraw/zinc/52/71/00/558527100.db2.gz NGVVPRRWNGYYBJ-OAQYLSRUSA-N 1 0 416.993 5.200 10 0 HKAERO CCN1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000022936877 558527009 /nfs/dbraw/zinc/52/70/09/558527009.db2.gz MQJLOWXSCKXKNZ-HXUWFJFHSA-N 1 0 416.396 5.570 10 0 HKAERO CCN1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000022936880 558527054 /nfs/dbraw/zinc/52/70/54/558527054.db2.gz MQJLOWXSCKXKNZ-FQEVSTJZSA-N 1 0 416.396 5.570 10 0 HKAERO Clc1ccccc1-c1cncnc1[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000023129438 559018324 /nfs/dbraw/zinc/01/83/24/559018324.db2.gz LHYHGXHKFQVALX-QGZVFWFLSA-N 1 0 402.929 5.658 10 0 HKAERO Clc1ccccc1-c1cncnc1[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000023129439 559018374 /nfs/dbraw/zinc/01/83/74/559018374.db2.gz LHYHGXHKFQVALX-KRWDZBQOSA-N 1 0 402.929 5.658 10 0 HKAERO Cc1ccc(-c2cccc3c(C(=O)NCC[N@@H+](C)C4CCCCC4)cc(C)nc23)cc1 ZINC000033036976 525757930 /nfs/dbraw/zinc/75/79/30/525757930.db2.gz ZZTAFOFEXOEWNC-UHFFFAOYSA-N 1 0 415.581 5.513 10 0 HKAERO C[C@H](NC(=O)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1)c1ccccc1 ZINC000033664219 558770677 /nfs/dbraw/zinc/77/06/77/558770677.db2.gz GPJGUORWKZOJFI-NRFANRHFSA-N 1 0 414.549 5.568 10 0 HKAERO Brc1ccc2c(c1)c1cc(Br)ccc1n2C[NH+]1CCCCC1 ZINC000033784857 558771428 /nfs/dbraw/zinc/77/14/28/558771428.db2.gz HQOZEGAYKCKXJL-UHFFFAOYSA-N 1 0 422.164 5.763 10 0 HKAERO CC1=C2C[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@@H]2C ZINC000033830612 571316225 /nfs/dbraw/zinc/31/62/25/571316225.db2.gz QASFUMOKHFSJGL-SJWKHKLFSA-N 1 0 411.630 5.002 10 0 HKAERO CCN1c2ccccc2C(C)(C)/C1=C\C=C\C=C\C1=[N+](CC)c2ccccc2C1(C)C ZINC000034366696 568993020 /nfs/dbraw/zinc/99/30/20/568993020.db2.gz KYFRKHUJZPDPDS-UHFFFAOYSA-N 1 0 411.613 6.897 10 0 in-vitro HKAERO CCOC(=O)[C@@H]1CCC[N@H+](CCC=C(c2sccc2C)c2sccc2C)C1 ZINC000034644468 558782466 /nfs/dbraw/zinc/78/24/66/558782466.db2.gz NSGCWILIYQUGIO-GOSISDBHSA-N 1 0 403.613 5.523 10 0 HKAERO COc1ccc(NC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034675841 557363625 /nfs/dbraw/zinc/36/36/25/557363625.db2.gz OCLKGAYEQSTNQF-UHFFFAOYSA-N 1 0 421.566 5.092 10 0 HKAERO CC(C)C(=O)N(c1ccccc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682481 571313536 /nfs/dbraw/zinc/31/35/36/571313536.db2.gz NDBSJIBUKBJTBY-UHFFFAOYSA-N 1 0 404.476 5.359 10 0 HKAERO COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000034683113 557385910 /nfs/dbraw/zinc/38/59/10/557385910.db2.gz ZSNBXGSJLNWQJC-UHFFFAOYSA-N 1 0 424.541 5.207 10 0 HKAERO Cc1cccc(C[N@@H+](C[C@H](Oc2ccccc2)C(=O)NC2CCCCC2)C(C)C)c1 ZINC000034708078 557389190 /nfs/dbraw/zinc/38/91/90/557389190.db2.gz DHHHYQXQZKHJSB-VWLOTQADSA-N 1 0 408.586 5.102 10 0 HKAERO Cc1cccc(C[N@@H+](C[C@@H](Oc2ccccc2)C(=O)NC2CCCCC2)C(C)C)c1 ZINC000034708079 557389158 /nfs/dbraw/zinc/38/91/58/557389158.db2.gz DHHHYQXQZKHJSB-RUZDIDTESA-N 1 0 408.586 5.102 10 0 HKAERO Cc1cccc(CN(C(=O)Nc2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686843 569050723 /nfs/dbraw/zinc/05/07/23/569050723.db2.gz ONCCIOQLHNQCKY-UHFFFAOYSA-N 1 0 414.553 5.089 10 0 HKAERO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)[C@H](CC(=O)OC(C)(C)C)c1ccccc1 ZINC000035973421 558796233 /nfs/dbraw/zinc/79/62/33/558796233.db2.gz IQMDGSCESHMRDL-BKMJKUGQSA-N 1 0 415.577 6.723 10 0 HKAERO COc1c(Br)cc(C[NH2+]CCC2=CCCCC2)cc1Br ZINC000036324979 557845892 /nfs/dbraw/zinc/84/58/92/557845892.db2.gz PYBQLBKKIMJJJW-UHFFFAOYSA-N 1 0 403.158 5.200 10 0 HKAERO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000036348009 569144470 /nfs/dbraw/zinc/14/44/70/569144470.db2.gz QODSLKVZZFLFCI-AREMUKBSSA-N 1 0 402.538 5.378 10 0 HKAERO CC(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000036348010 569144513 /nfs/dbraw/zinc/14/45/13/569144513.db2.gz QODSLKVZZFLFCI-SANMLTNESA-N 1 0 402.538 5.378 10 0 HKAERO CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1)c1ccc(O)cc1 ZINC000044699472 520174306 /nfs/dbraw/zinc/17/43/06/520174306.db2.gz IDGYIEFKHBMNKS-QPLCGJKRSA-N 1 0 403.522 5.407 10 0 in-vitro HKAERO CC[NH+](CC)CCS[C@@H](CC(=O)c1ccc(OC)cc1)c1ccc(N(C)C)cc1 ZINC000048523275 569358329 /nfs/dbraw/zinc/35/83/29/569358329.db2.gz PVQGNSSNCZIVNN-DEOSSOPVSA-N 1 0 414.615 5.150 10 0 HKAERO CC[NH+](CC)CCS[C@H](CC(=O)c1ccc(OC)cc1)c1ccc(N(C)C)cc1 ZINC000048523277 569358320 /nfs/dbraw/zinc/35/83/20/569358320.db2.gz PVQGNSSNCZIVNN-XMMPIXPASA-N 1 0 414.615 5.150 10 0 HKAERO O=C(C[n+]1cn(Cc2ccccc2)c2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000048523607 569358387 /nfs/dbraw/zinc/35/83/87/569358387.db2.gz RZQDVDKIPUBUIX-UHFFFAOYSA-N 1 0 403.505 5.527 10 0 HKAERO c1ccc(-c2noc(C[NH+]3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1 ZINC000049033748 581092093 /nfs/dbraw/zinc/09/20/93/581092093.db2.gz KJRYEDFCBDQQSC-UHFFFAOYSA-N 1 0 417.557 5.529 10 0 HKAERO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+][C@@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000053523951 569031336 /nfs/dbraw/zinc/03/13/36/569031336.db2.gz CDCMQHLUBOSQIL-SFHVURJKSA-N 1 0 422.532 5.946 10 0 HKAERO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+][C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000053523955 569031357 /nfs/dbraw/zinc/03/13/57/569031357.db2.gz CDCMQHLUBOSQIL-GOSISDBHSA-N 1 0 422.532 5.946 10 0 HKAERO C[C@H]([NH2+]Cc1cc2ccc(Cl)cc2nc1-c1ccsc1)c1nc2ccccc2[nH]1 ZINC000053524035 569031323 /nfs/dbraw/zinc/03/13/23/569031323.db2.gz USYZLMWWMJNNKN-AWEZNQCLSA-N 1 0 418.953 6.344 10 0 HKAERO C[C@@H]([NH2+]Cc1cc2ccc(Cl)cc2nc1-c1ccsc1)c1nc2ccccc2[nH]1 ZINC000053524036 569031347 /nfs/dbraw/zinc/03/13/47/569031347.db2.gz USYZLMWWMJNNKN-CQSZACIVSA-N 1 0 418.953 6.344 10 0 HKAERO COc1ccc2cc(C[NH2+]Cc3cccs3)c(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000055088424 558871773 /nfs/dbraw/zinc/87/17/73/558871773.db2.gz OBHDXUUACPNZPW-UHFFFAOYSA-N 1 0 420.534 5.279 10 0 HKAERO CCCCCCN1c2ccccc2S/C1=C\C=C\c1cc[n+](C)c2ccccc12 ZINC000065742790 569393315 /nfs/dbraw/zinc/39/33/15/569393315.db2.gz DECJXQGJXNNNLX-UHFFFAOYSA-N 1 0 401.599 6.712 10 0 in-vitro HKAERO COc1ccc(C[NH2+][C@H]2C[C@@H](Cc3cc(CN(C)c4ccccc4)on3)C2(C)C)cc1 ZINC000067890141 291295408 /nfs/dbraw/zinc/29/54/08/291295408.db2.gz QJKRIELMYUQDOO-NLFFAJNJSA-N 1 0 419.569 5.067 10 0 HKAERO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000070691530 569413362 /nfs/dbraw/zinc/41/33/62/569413362.db2.gz VCYNHQOAZQMPOJ-AIEOQHCFSA-N 1 0 413.646 5.575 10 0 biogenic HKAERO FC(F)(F)c1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccc3)n2)cc1 ZINC000073684368 527681201 /nfs/dbraw/zinc/68/12/01/527681201.db2.gz KACUAZQTJJSXCL-UHFFFAOYSA-N 1 0 412.459 5.241 10 0 HKAERO FC(F)(F)c1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073684894 527680918 /nfs/dbraw/zinc/68/09/18/527680918.db2.gz RNYZXBJTSPJTOA-MRXNPFEDSA-N 1 0 412.459 5.241 10 0 HKAERO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4cccnc4)C=C3C)nc2c1 ZINC000077262138 291295519 /nfs/dbraw/zinc/29/55/19/291295519.db2.gz RSCZVEUBRUJZLF-FUDKSRODSA-N 1 0 418.585 5.153 10 0 HKAERO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccncc4)C=C3C)nc2c1 ZINC000077262142 291295529 /nfs/dbraw/zinc/29/55/29/291295529.db2.gz CSPMMYNJFJIYJR-FUDKSRODSA-N 1 0 418.585 5.153 10 0 HKAERO CC1=C[C@@H](C[NH2+]Cc2ncc[nH]2)[C@H](C(C)C)C[C@H]1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000077262210 291290545 /nfs/dbraw/zinc/29/05/45/291290545.db2.gz WDWVCDOOUNQTCJ-LNLFQRSKSA-N 1 0 411.981 5.126 10 0 biogenic HKAERO CC[NH+](CC)CCOc1ccc(/C(=C\c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000077286971 569391302 /nfs/dbraw/zinc/39/13/02/569391302.db2.gz KYRNNMBJPGHUBQ-QOMWVZHYSA-N 1 0 405.969 6.650 10 0 in-vitro HKAERO O[C@@H]1CCCC[C@H]1[N@H+](Cc1ccccc1NCc1ccccc1)C1(O)CCCCC1 ZINC000090411169 559068649 /nfs/dbraw/zinc/06/86/49/559068649.db2.gz TZYCXXDLNMXWRE-JWQCQUIFSA-N 1 0 408.586 5.057 10 0 HKAERO COc1cc(OC[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000098088043 522892414 /nfs/dbraw/zinc/89/24/14/522892414.db2.gz JJJAIRUIVLJSHY-ZJSXRUAMSA-N 1 0 421.512 5.185 10 0 HKAERO Cn1cc(CC[NH2+]CCc2cn(C)c3cc(Cl)ccc23)c2ccc(Cl)cc21 ZINC000098210210 559127149 /nfs/dbraw/zinc/12/71/49/559127149.db2.gz HVZMOBJBDCPQHJ-UHFFFAOYSA-N 1 0 400.353 5.352 10 0 HKAERO CC1=C2C[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@H]1C[C@H](C)C[NH2+][C@H]1[C@@H]2C ZINC000106535263 571314432 /nfs/dbraw/zinc/31/44/32/571314432.db2.gz QASFUMOKHFSJGL-OSWPUQQQSA-N 1 0 411.630 5.002 10 0 HKAERO Cc1ccc([C@@]2(CC[NH2+][C@H](C)c3ccc(Cl)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000169793923 560766353 /nfs/dbraw/zinc/76/63/53/560766353.db2.gz VJRNJFGPKMJBSQ-ZPZUNKDASA-N 1 0 400.006 6.462 10 0 HKAERO CC1=C2C[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000200825480 571315714 /nfs/dbraw/zinc/31/57/14/571315714.db2.gz QASFUMOKHFSJGL-OJDYMHLBSA-N 1 0 411.630 5.002 10 0 HKAERO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000257561965 571860529 /nfs/dbraw/zinc/86/05/29/571860529.db2.gz VCYNHQOAZQMPOJ-KSPFACITSA-N 1 0 413.646 5.575 10 0 endogenous,in-man HKAERO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000257561966 571860602 /nfs/dbraw/zinc/86/06/02/571860602.db2.gz VCYNHQOAZQMPOJ-OYXWFNEUSA-N 1 0 413.646 5.575 10 0 endogenous,in-man HKAERO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@H](C)C[NH2+]2 ZINC000257561967 571860590 /nfs/dbraw/zinc/86/05/90/571860590.db2.gz VCYNHQOAZQMPOJ-PWEOEGBUSA-N 1 0 413.646 5.575 10 0 endogenous,in-man HKAERO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@H](C)C[NH2+]2 ZINC000257561968 571860597 /nfs/dbraw/zinc/86/05/97/571860597.db2.gz VCYNHQOAZQMPOJ-ZOFKPQJFSA-N 1 0 413.646 5.575 10 0 endogenous,in-man HKAERO CC(C)(C)OC(=O)N1CCC(CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000498051084 569259658 /nfs/dbraw/zinc/25/96/58/569259658.db2.gz NSZJOKFAHMAWKK-UHFFFAOYSA-N 1 0 422.613 6.116 10 0 HKAERO CC(C)[NH+](C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000536952321 560771811 /nfs/dbraw/zinc/77/18/11/560771811.db2.gz CSWITIDQXAQLOZ-MHZLTWQESA-N 1 0 416.609 5.048 10 0 HKAERO CC1=C2C[C@@H]3[C@@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]2CC[C@@]12O[C@H]1C[C@@H](C)C[NH2+][C@@H]1[C@@H]2C ZINC000669678989 569070349 /nfs/dbraw/zinc/07/03/49/569070349.db2.gz QASFUMOKHFSJGL-XNMFWBCUSA-N 1 0 411.630 5.002 10 0 HKAERO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@]32C)O[C@@]12CC[C@H](C)C[NH2+]2 ZINC000669679207 569070426 /nfs/dbraw/zinc/07/04/26/569070426.db2.gz KWVISVAMQJWJSZ-QITUHIDSSA-N 1 0 413.646 5.287 10 0 HKAERO CC(C)[NH+](C[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000675058385 569258646 /nfs/dbraw/zinc/25/86/46/569258646.db2.gz CSWITIDQXAQLOZ-HHHXNRCGSA-N 1 0 416.609 5.048 10 0 HKAERO CCCC[N@H+](CC)C[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000675058674 569258656 /nfs/dbraw/zinc/25/86/56/569258656.db2.gz RVWGLNWDYFRDJC-HHHXNRCGSA-N 1 0 416.609 5.051 10 0 HKAERO CCC[NH+](CCC)C[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000675058782 569258742 /nfs/dbraw/zinc/25/87/42/569258742.db2.gz XPSMFKOOUIOWIO-HHHXNRCGSA-N 1 0 416.609 5.051 10 0 HKAERO FC1(F)CCC(CC[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000725268782 559177382 /nfs/dbraw/zinc/17/73/82/559177382.db2.gz AGEKDJMMZQSSRV-UHFFFAOYSA-N 1 0 411.128 5.517 10 0 HKAERO CC1CCC(CC[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000725269308 559177591 /nfs/dbraw/zinc/17/75/91/559177591.db2.gz PMMZQHKAUKAXII-UHFFFAOYSA-N 1 0 404.190 5.100 10 0 HKAERO