smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1[nH]c(CC(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000000005987 183388125 /nfs/dbraw/zinc/38/81/25/183388125.db2.gz CGWCKWISXYESMC-UHFFFAOYSA-N 1 2 248.329 3.784 10 0 BHAELO c1[nH]cc(CC(c2ccccc2)c2ccccc2)[nH+]1 ZINC000000005987 183388124 /nfs/dbraw/zinc/38/81/24/183388124.db2.gz CGWCKWISXYESMC-UHFFFAOYSA-N 1 2 248.329 3.784 10 0 BHAELO Cc1sc(C)c2c1CCC[C@H]2c1c[nH]c[nH+]1 ZINC000000024133 180557038 /nfs/dbraw/zinc/55/70/38/180557038.db2.gz AOQYWVCOSJELMS-NSHDSACASA-N 1 2 232.352 3.556 10 0 BHAELO CCCn1c2ccccc2[nH+]c1C(C)(C)C ZINC000000561414 169611374 /nfs/dbraw/zinc/61/13/74/169611374.db2.gz FCCMNIBAHJSWPQ-UHFFFAOYSA-N 1 2 216.328 3.744 10 0 BHAELO CCc1[nH+]c2ccccc2n1C[C@@H](C)CC ZINC000001473039 172014006 /nfs/dbraw/zinc/01/40/06/172014006.db2.gz YMMBUAWDLIGWLD-NSHDSACASA-N 1 2 216.328 3.645 10 0 BHAELO CCc1[nH+]c2ccccc2n1C[C@H](C)CC ZINC000001473040 172013160 /nfs/dbraw/zinc/01/31/60/172013160.db2.gz YMMBUAWDLIGWLD-LLVKDONJSA-N 1 2 216.328 3.645 10 0 BHAELO CCN(Cc1ccc(Cl)cc1)c1cccc[nH+]1 ZINC000001713940 560184344 /nfs/dbraw/zinc/18/43/44/560184344.db2.gz QHULOZHOGAMTGE-UHFFFAOYSA-N 1 2 246.741 3.762 10 0 in-vitro BHAELO CC1=CC(C)(C)Nc2ccc3ccc[nH+]c3c21 ZINC000001723093 342711223 /nfs/dbraw/zinc/71/12/23/342711223.db2.gz ZYGMNYOQVUCXTK-UHFFFAOYSA-N 1 2 224.307 3.842 10 0 BHAELO CCCCCCn1c(C)[nH+]c2ccccc21 ZINC000002695408 371632573 /nfs/dbraw/zinc/63/25/73/371632573.db2.gz IUWGLUKQBXEESX-UHFFFAOYSA-N 1 2 216.328 3.925 10 0 BHAELO c1ccc([C@H]2CN=[NH+]N2c2ccccc2)cc1 ZINC000003635778 183433606 /nfs/dbraw/zinc/43/36/06/183433606.db2.gz TVXXZJVKGCPEGS-CQSZACIVSA-N 1 2 223.279 3.615 10 0 BHAELO c1ccc([C@@H]2CN=[NH+]N2c2ccccc2)cc1 ZINC000003635780 384022019 /nfs/dbraw/zinc/02/20/19/384022019.db2.gz TVXXZJVKGCPEGS-AWEZNQCLSA-N 1 2 223.279 3.615 10 0 BHAELO Cc1sc(C)c2c1CCC[C@@H]2c1c[nH]c[nH+]1 ZINC000003923487 368889053 /nfs/dbraw/zinc/88/90/53/368889053.db2.gz AOQYWVCOSJELMS-LLVKDONJSA-N 1 2 232.352 3.556 10 0 BHAELO Cc1cc2[nH]c(/C=C/c3cccnc3)[nH+]c2cc1C ZINC000004661287 178299705 /nfs/dbraw/zinc/29/97/05/178299705.db2.gz HBVOFLLJSMHEQA-AATRIKPKSA-N 1 2 249.317 3.745 10 0 BHAELO C[C@H](c1c[nH]c[nH+]1)c1cccc2ccccc21 ZINC000005115882 177031657 /nfs/dbraw/zinc/03/16/57/177031657.db2.gz DZSQSLQSMKNVBV-NSHDSACASA-N 1 2 222.291 3.715 10 0 in-vivo BHAELO Cc1[nH+]cn(-c2ccccc2)c1-c1ccccc1 ZINC000005285804 180284876 /nfs/dbraw/zinc/28/48/76/180284876.db2.gz WBUUBKRRBKVWBW-UHFFFAOYSA-N 1 2 234.302 3.848 10 0 BHAELO c1[nH+]cn(-c2ccccc2)c1-c1ccccc1 ZINC000005286445 183381193 /nfs/dbraw/zinc/38/11/93/183381193.db2.gz JBLLBGIUSCXVSG-UHFFFAOYSA-N 1 2 220.275 3.539 10 0 BHAELO CCCCn1c(C)[nH+]c2cc(Cl)ccc21 ZINC000005310453 169033404 /nfs/dbraw/zinc/03/34/04/169033404.db2.gz RMGYAFGWXIGLIT-UHFFFAOYSA-N 1 2 222.719 3.798 10 0 BHAELO c1ccc2[nH+]c(CC3CCCCC3)[nH]c2c1 ZINC000005635518 183434367 /nfs/dbraw/zinc/43/43/67/183434367.db2.gz SZJSSIDSLVUEES-UHFFFAOYSA-N 1 2 214.312 3.686 10 0 BHAELO c1ccc(CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000006161304 183392430 /nfs/dbraw/zinc/39/24/30/183392430.db2.gz UNFZYVZRIDSAOD-UHFFFAOYSA-N 1 2 236.318 3.738 10 0 BHAELO Nc1cc(-c2cccs2)[nH+]c2ccccc12 ZINC000006583773 342779878 /nfs/dbraw/zinc/77/98/78/342779878.db2.gz UUSGLQSMBGQHMR-UHFFFAOYSA-N 1 2 226.304 3.546 10 0 BHAELO CC(C)c1ccc(NC2=[NH+]CCCS2)cc1 ZINC000008702130 344747761 /nfs/dbraw/zinc/74/77/61/344747761.db2.gz SULCJNLLADBBBK-UHFFFAOYSA-N 1 2 234.368 3.715 10 0 BHAELO Cc1cc(NCC(C)C)nc(-c2ccccc2)[nH+]1 ZINC000012651930 178156425 /nfs/dbraw/zinc/15/64/25/178156425.db2.gz WNBRQEZTXRJAJI-UHFFFAOYSA-N 1 2 241.338 3.520 10 0 BHAELO CC(C)c1[nH]c2ccccc2c1Cn1cc[nH+]c1 ZINC000013209291 167547625 /nfs/dbraw/zinc/54/76/25/167547625.db2.gz NZXGMVRYQLENHC-UHFFFAOYSA-N 1 2 239.322 3.536 10 0 in-vivo BHAELO Brc1ccc(Nc2cccc[nH+]2)cc1 ZINC000013283880 166097229 /nfs/dbraw/zinc/09/72/29/166097229.db2.gz NIDLRXNAADDGDT-UHFFFAOYSA-N 1 2 249.111 3.588 10 0 BHAELO C[C@@H](c1c[nH]c[nH+]1)c1cccc2ccccc21 ZINC000013450482 176013191 /nfs/dbraw/zinc/01/31/91/176013191.db2.gz DZSQSLQSMKNVBV-LLVKDONJSA-N 1 2 222.291 3.715 10 0 in-vivo BHAELO C[C@H](c1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC000013450488 176017085 /nfs/dbraw/zinc/01/70/85/176017085.db2.gz YRDASYXEOGTMQU-NSHDSACASA-N 1 2 222.291 3.715 10 0 BHAELO C[C@@H](c1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC000013450493 177035958 /nfs/dbraw/zinc/03/59/58/177035958.db2.gz YRDASYXEOGTMQU-LLVKDONJSA-N 1 2 222.291 3.715 10 0 BHAELO C=C(c1c[nH]c[nH+]1)c1cccc2ccccc21 ZINC000013757201 343103273 /nfs/dbraw/zinc/10/32/73/343103273.db2.gz RADFITYEEZIPNJ-UHFFFAOYSA-N 1 2 220.275 3.624 10 0 in-vivo BHAELO c1[nH]cc([C@@H]2CCc3cccc4cccc2c43)[nH+]1 ZINC000013757206 183375030 /nfs/dbraw/zinc/37/50/30/183375030.db2.gz KFGFWNKBPWPCKX-CYBMUJFWSA-N 1 2 234.302 3.641 10 0 in-vivo BHAELO c1[nH]cc([C@H]2CCc3cccc4cccc2c43)[nH+]1 ZINC000013757208 183374107 /nfs/dbraw/zinc/37/41/07/183374107.db2.gz KFGFWNKBPWPCKX-ZDUSSCGKSA-N 1 2 234.302 3.641 10 0 in-vivo BHAELO CC(C)c1cc([NH+](C)C)cc(C(C)C)c1O ZINC000013779581 343103467 /nfs/dbraw/zinc/10/34/67/343103467.db2.gz BOEKREBRMTXRRJ-UHFFFAOYSA-N 1 2 221.344 3.705 10 0 in-vivo BHAELO c1[nH]cc(Cc2cccc(-c3ccccc3)c2)[nH+]1 ZINC000014979040 183379277 /nfs/dbraw/zinc/37/92/77/183379277.db2.gz GSLLVEOVBVOMBQ-UHFFFAOYSA-N 1 2 234.302 3.668 10 0 BHAELO CCCCCCc1cc2ccccc2[nH+]c1N ZINC000019721376 342954598 /nfs/dbraw/zinc/95/45/98/342954598.db2.gz JCUYAUGYUSLXCI-UHFFFAOYSA-N 1 2 228.339 3.940 10 0 BHAELO CC[C@H](C)[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000019910948 171349479 /nfs/dbraw/zinc/34/94/79/171349479.db2.gz RMPNXZBRTVQCOD-QMMMGPOBSA-N 1 2 243.734 3.568 10 0 BHAELO CCCCc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC000019952420 169022103 /nfs/dbraw/zinc/02/21/03/169022103.db2.gz JCOKYCAVNHRVJZ-UHFFFAOYSA-N 1 2 241.338 3.750 10 0 BHAELO COc1ccc([NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000019964706 175154040 /nfs/dbraw/zinc/15/40/40/175154040.db2.gz IDJVXEKSDCRBNP-SMDDNHRTSA-N 1 2 219.328 3.686 10 0 BHAELO COc1ccc([NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000019964707 175155260 /nfs/dbraw/zinc/15/52/60/175155260.db2.gz IDJVXEKSDCRBNP-FZMZJTMJSA-N 1 2 219.328 3.686 10 0 BHAELO COc1ccc([NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000019964708 175153870 /nfs/dbraw/zinc/15/38/70/175153870.db2.gz IDJVXEKSDCRBNP-BXUZGUMPSA-N 1 2 219.328 3.686 10 0 BHAELO COc1ccc([NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000019964709 175155765 /nfs/dbraw/zinc/15/57/65/175155765.db2.gz IDJVXEKSDCRBNP-RISCZKNCSA-N 1 2 219.328 3.686 10 0 BHAELO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(F)(F)F ZINC000019990114 259386754 /nfs/dbraw/zinc/38/67/54/259386754.db2.gz KCDVOFDOMHIREY-VWYCJHECSA-N 1 2 237.309 3.599 10 0 BHAELO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(F)(F)F ZINC000019990117 259386975 /nfs/dbraw/zinc/38/69/75/259386975.db2.gz KCDVOFDOMHIREY-MXWKQRLJSA-N 1 2 237.309 3.599 10 0 BHAELO [NH2+]=C1c2ccccc2CN1c1ccccc1Cl ZINC000020000238 181208057 /nfs/dbraw/zinc/20/80/57/181208057.db2.gz VAOHHUOZORWFOW-UHFFFAOYSA-N 1 2 242.709 3.686 10 0 BHAELO CC(C)[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000020302688 167387318 /nfs/dbraw/zinc/38/73/18/167387318.db2.gz CQJHJQSRRHJTDH-LLVKDONJSA-N 1 2 214.312 3.691 10 0 BHAELO CC(C)[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000020302690 188232365 /nfs/dbraw/zinc/23/23/65/188232365.db2.gz CQJHJQSRRHJTDH-NSHDSACASA-N 1 2 214.312 3.691 10 0 BHAELO CCCCc1ccc(Nc2[nH+]cccc2N)cc1 ZINC000020317498 169021665 /nfs/dbraw/zinc/02/16/65/169021665.db2.gz SSCIPYFAKNGSNQ-UHFFFAOYSA-N 1 2 241.338 3.750 10 0 BHAELO CC(C)c1ccc(Nc2[nH+]cccc2N)cc1 ZINC000020317631 346782258 /nfs/dbraw/zinc/78/22/58/346782258.db2.gz QDASFKVKLKXVRL-UHFFFAOYSA-N 1 2 227.311 3.531 10 0 BHAELO Nc1ccc[nH+]c1Nc1cccc2ccccc21 ZINC000020317784 342982050 /nfs/dbraw/zinc/98/20/50/342982050.db2.gz QIOBHOPNRXUCOG-UHFFFAOYSA-N 1 2 235.290 3.561 10 0 BHAELO CC(C)(C)c1ccccc1Oc1cc[nH+]cc1N ZINC000020370552 343140562 /nfs/dbraw/zinc/14/05/62/343140562.db2.gz VAJYBGIQXFKPJA-UHFFFAOYSA-N 1 2 242.322 3.754 10 0 BHAELO CC(C)c1cccc(Nc2[nH+]cccc2N)c1 ZINC000020585938 167633273 /nfs/dbraw/zinc/63/32/73/167633273.db2.gz KNMMSAGOPOUCAJ-UHFFFAOYSA-N 1 2 227.311 3.531 10 0 BHAELO CCC[C@@H](C)C[NH2+]c1ccc(OC)cc1 ZINC000021017151 169361113 /nfs/dbraw/zinc/36/11/13/169361113.db2.gz FTNFPGVAFKWXHP-LLVKDONJSA-N 1 2 207.317 3.543 10 0 BHAELO CCC[C@H](C)C[NH2+]c1ccc(OC)cc1 ZINC000021017155 384646537 /nfs/dbraw/zinc/64/65/37/384646537.db2.gz FTNFPGVAFKWXHP-NSHDSACASA-N 1 2 207.317 3.543 10 0 BHAELO COc1ccc([NH2+]C2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000021804977 175149174 /nfs/dbraw/zinc/14/91/74/175149174.db2.gz NTDZEAQINOKYNX-RYUDHWBXSA-N 1 2 233.355 3.932 10 0 BHAELO COc1ccc([NH2+]C2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021804980 175149687 /nfs/dbraw/zinc/14/96/87/175149687.db2.gz NTDZEAQINOKYNX-ODOQXGPZSA-N 1 2 233.355 3.932 10 0 BHAELO COc1ccc([NH2+]C2[C@H](C)CCC[C@H]2C)cc1 ZINC000021804984 175149489 /nfs/dbraw/zinc/14/94/89/175149489.db2.gz NTDZEAQINOKYNX-VXGBXAGGSA-N 1 2 233.355 3.932 10 0 BHAELO CCC[C@@H](C)C[NH2+]c1ccc(OCC)cc1 ZINC000021812358 169361060 /nfs/dbraw/zinc/36/10/60/169361060.db2.gz UKMCGCRHUPHEMI-GFCCVEGCSA-N 1 2 221.344 3.933 10 0 BHAELO c1ccc(COc2cc[nH+]c3ccccc32)cc1 ZINC000021993146 183407662 /nfs/dbraw/zinc/40/76/62/183407662.db2.gz FIPKVXNSGRJUMC-UHFFFAOYSA-N 1 2 235.286 3.814 10 0 BHAELO Clc1ccc2c(c1)C(c1ccccc1)=[NH+]CC2 ZINC000021993580 343235087 /nfs/dbraw/zinc/23/50/87/343235087.db2.gz PNWVMSKFQSFCFB-UHFFFAOYSA-N 1 2 241.721 3.734 10 0 BHAELO Cc1c(-c2ccccc2)[nH+]cn1C(C)(C)C ZINC000022000779 384723179 /nfs/dbraw/zinc/72/31/79/384723179.db2.gz YOCMPFXUDVLXAR-UHFFFAOYSA-N 1 2 214.312 3.614 10 0 BHAELO c1ccc(Nc2ccc3ccccc3c2)[nH+]c1 ZINC000025497055 344039392 /nfs/dbraw/zinc/03/93/92/344039392.db2.gz BEEMTSFIVSXCQT-UHFFFAOYSA-N 1 2 220.275 3.978 10 0 BHAELO Cc1ccn2c(CSC3CCCC3)c[nH+]c2c1 ZINC000027559454 384072138 /nfs/dbraw/zinc/07/21/38/384072138.db2.gz QSEVSHMIZRBMLD-UHFFFAOYSA-N 1 2 246.379 3.819 10 0 BHAELO Cc1cc(-c2ccccc2F)cc(C)[nH+]1 ZINC000028761537 344413523 /nfs/dbraw/zinc/41/35/23/344413523.db2.gz YGUOWKBREYDEOC-UHFFFAOYSA-N 1 2 201.244 3.505 10 0 BHAELO c1[nH]cc(C(c2ccccc2)c2ccccc2)[nH+]1 ZINC000031555215 183387299 /nfs/dbraw/zinc/38/72/99/183387299.db2.gz BEQGFWRTESSGOM-UHFFFAOYSA-N 1 2 234.302 3.590 10 0 BHAELO Cc1cc2[nH]c(Cc3cccs3)[nH+]c2cc1C ZINC000031943811 178301961 /nfs/dbraw/zinc/30/19/61/178301961.db2.gz LCMCZJONYYYALQ-UHFFFAOYSA-N 1 2 242.347 3.832 10 0 BHAELO Clc1cc2[nH]c(C3CC3)[nH+]c2cc1Cl ZINC000031943956 343142189 /nfs/dbraw/zinc/14/21/89/343142189.db2.gz LHUUWTZLUNLJFG-UHFFFAOYSA-N 1 2 227.094 3.747 10 0 BHAELO Cc1ccc2[nH+]c(N)c(-c3ccccc3)cc2c1 ZINC000032099315 343229553 /nfs/dbraw/zinc/22/95/53/343229553.db2.gz NEIMUUKFDWTRAN-UHFFFAOYSA-N 1 2 234.302 3.792 10 0 BHAELO Cc1ccc2cc(-c3ccccc3)c(N)[nH+]c2c1 ZINC000032099333 343229535 /nfs/dbraw/zinc/22/95/35/343229535.db2.gz DMHGXHQDKJYRKF-UHFFFAOYSA-N 1 2 234.302 3.792 10 0 BHAELO Cc1cccc2cc(-c3ccccc3)c(N)[nH+]c12 ZINC000032099337 179225417 /nfs/dbraw/zinc/22/54/17/179225417.db2.gz QAAOTNYNLLBMGT-UHFFFAOYSA-N 1 2 234.302 3.792 10 0 BHAELO C(CCOC1CCCCCCC1)CC[NH+]1CC1 ZINC000032184462 345740953 /nfs/dbraw/zinc/74/09/53/345740953.db2.gz LAOJPISCYHRDOA-UHFFFAOYSA-N 1 2 239.403 3.602 10 0 BHAELO CCn1c2ccccc2c2cc(C)[nH+]c(C)c21 ZINC000033853771 172149333 /nfs/dbraw/zinc/14/93/33/172149333.db2.gz UFTVPZQFCDAAJQ-UHFFFAOYSA-N 1 2 224.307 3.826 10 0 BHAELO Cc1[nH+]c[nH]c1CSCCCc1ccccc1 ZINC000033898590 180121740 /nfs/dbraw/zinc/12/17/40/180121740.db2.gz KUNYDXDGBJPZHF-UHFFFAOYSA-N 1 2 246.379 3.584 10 0 BHAELO c1[nH]c(C[C@@H]2CCC3=C(CCCC3)C2)c[nH+]1 ZINC000033992531 345814804 /nfs/dbraw/zinc/81/48/04/345814804.db2.gz MXJKNSWRBCTLNU-LLVKDONJSA-N 1 2 216.328 3.623 10 0 BHAELO c1[nH]cc(C[C@@H]2CCC3=C(CCCC3)C2)[nH+]1 ZINC000033992531 345814802 /nfs/dbraw/zinc/81/48/02/345814802.db2.gz MXJKNSWRBCTLNU-LLVKDONJSA-N 1 2 216.328 3.623 10 0 BHAELO c1[nH]c(C[C@H]2CCC3=C(CCCC3)C2)c[nH+]1 ZINC000033992532 345814735 /nfs/dbraw/zinc/81/47/35/345814735.db2.gz MXJKNSWRBCTLNU-NSHDSACASA-N 1 2 216.328 3.623 10 0 BHAELO c1[nH]cc(C[C@H]2CCC3=C(CCCC3)C2)[nH+]1 ZINC000033992532 345814732 /nfs/dbraw/zinc/81/47/32/345814732.db2.gz MXJKNSWRBCTLNU-NSHDSACASA-N 1 2 216.328 3.623 10 0 BHAELO Clc1ccc(-c2cccn3cc[nH+]c23)cc1 ZINC000034144221 343265697 /nfs/dbraw/zinc/26/56/97/343265697.db2.gz INZILLYIUWWMKR-UHFFFAOYSA-N 1 2 228.682 3.655 10 0 BHAELO CC[NH2+]c1ccc(OCc2ccccc2)cc1 ZINC000034309073 170174062 /nfs/dbraw/zinc/17/40/62/170174062.db2.gz WHYZXNVJQOJXNT-UHFFFAOYSA-N 1 2 227.307 3.697 10 0 BHAELO Cc1[nH+]c(-c2ccccc2)[nH]c1Cc1ccccc1 ZINC000034355157 385278871 /nfs/dbraw/zinc/27/88/71/385278871.db2.gz NKVXEXBFJUACKT-UHFFFAOYSA-N 1 2 248.329 3.976 10 0 BHAELO Cc1[nH]c(-c2ccccc2)[nH+]c1Cc1ccccc1 ZINC000034355157 385278863 /nfs/dbraw/zinc/27/88/63/385278863.db2.gz NKVXEXBFJUACKT-UHFFFAOYSA-N 1 2 248.329 3.976 10 0 BHAELO CC(C)(C)c1ccc([NH+]2CCCCC2)cc1 ZINC000034452838 535116540 /nfs/dbraw/zinc/11/65/40/535116540.db2.gz KFMNJSQRCCPUTK-UHFFFAOYSA-N 1 2 217.356 3.974 10 0 BHAELO c1[nH]c(-c2ccccc2)[nH+]c1Cc1ccccc1 ZINC000034586729 385287940 /nfs/dbraw/zinc/28/79/40/385287940.db2.gz YATKABCHSRLDGQ-UHFFFAOYSA-N 1 2 234.302 3.668 10 0 BHAELO Nc1ccc([NH2+]C2CCCC2)cc1C(F)(F)F ZINC000034939562 351355733 /nfs/dbraw/zinc/35/57/33/351355733.db2.gz DVWXKCLNDYQYEC-UHFFFAOYSA-N 1 2 244.260 3.642 10 0 BHAELO CC(C)[C@@H](C)[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000034958860 167386067 /nfs/dbraw/zinc/38/60/67/167386067.db2.gz QYQANGWGRANGNB-MRVPVSSYSA-N 1 2 246.276 3.744 10 0 BHAELO CCC(C)(C)[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000034964369 168303036 /nfs/dbraw/zinc/30/30/36/168303036.db2.gz YBYIYJHQDZGJBR-UHFFFAOYSA-N 1 2 246.276 3.888 10 0 BHAELO Cc1cc(NCC2CCCCC2)nc(C(C)C)[nH+]1 ZINC000035121263 178157688 /nfs/dbraw/zinc/15/76/88/178157688.db2.gz SPXITJQURKHFTP-UHFFFAOYSA-N 1 2 247.386 3.901 10 0 BHAELO Cc1cc(N[C@H]2CCCC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000035121360 178188523 /nfs/dbraw/zinc/18/85/23/178188523.db2.gz BEDDATZTIOTZQS-AAEUAGOBSA-N 1 2 247.386 3.899 10 0 BHAELO Cc1cc(N[C@H]2CCCC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000035121362 178189051 /nfs/dbraw/zinc/18/90/51/178189051.db2.gz BEDDATZTIOTZQS-YPMHNXCESA-N 1 2 247.386 3.899 10 0 BHAELO Cc1cc(NC2CCC(C)CC2)nc(C(C)C)[nH+]1 ZINC000035121372 178155217 /nfs/dbraw/zinc/15/52/17/178155217.db2.gz PXFDOZCEWWFFJZ-UHFFFAOYSA-N 1 2 247.386 3.899 10 0 BHAELO Cc1cc(N[C@@H](C)c2ccco2)nc(C(C)C)[nH+]1 ZINC000035135141 178180507 /nfs/dbraw/zinc/18/05/07/178180507.db2.gz KNCCIWDJOSNBJL-NSHDSACASA-N 1 2 245.326 3.675 10 0 BHAELO Cc1cc(N[C@H](C)c2ccco2)nc(C(C)C)[nH+]1 ZINC000035135142 178187083 /nfs/dbraw/zinc/18/70/83/178187083.db2.gz KNCCIWDJOSNBJL-LLVKDONJSA-N 1 2 245.326 3.675 10 0 BHAELO Cc1cc(NCC2CCCC2)nc(C(C)C)[nH+]1 ZINC000035234436 178158443 /nfs/dbraw/zinc/15/84/43/178158443.db2.gz TZGYJGGPJXKJAP-UHFFFAOYSA-N 1 2 233.359 3.511 10 0 BHAELO CCc1cccc(C)c1NC1=[NH+]C(C)(C)CS1 ZINC000035294315 171853798 /nfs/dbraw/zinc/85/37/98/171853798.db2.gz RTCVORRCXQGRGQ-UHFFFAOYSA-N 1 2 248.395 3.851 10 0 BHAELO Cc1cc(N[C@H](C)CC(C)C)nc(C(C)C)[nH+]1 ZINC000035663823 178185909 /nfs/dbraw/zinc/18/59/09/178185909.db2.gz FNEUINRLBIAZSL-LLVKDONJSA-N 1 2 235.375 3.755 10 0 BHAELO Cc1ccccc1CN(C)c1ccc([NH3+])cc1C ZINC000036131510 179271835 /nfs/dbraw/zinc/27/18/35/179271835.db2.gz IXHVVXBLQAWFND-UHFFFAOYSA-N 1 2 240.350 3.522 10 0 BHAELO CCC(CC)C[N@@H+](CC)c1ccc(C)cc1N ZINC000036197513 168350094 /nfs/dbraw/zinc/35/00/94/168350094.db2.gz LGZKIQHUEOGVOE-UHFFFAOYSA-N 1 2 234.387 3.840 10 0 BHAELO CCC(CC)C[N@H+](CC)c1ccc(C)cc1N ZINC000036197513 168350093 /nfs/dbraw/zinc/35/00/93/168350093.db2.gz LGZKIQHUEOGVOE-UHFFFAOYSA-N 1 2 234.387 3.840 10 0 BHAELO Cc1c2cccccc-2o/c1=[NH+]\c1ccccc1 ZINC000036405793 343318284 /nfs/dbraw/zinc/31/82/84/343318284.db2.gz CIZUCRPTRGNOJT-MSUUIHNZSA-N 1 2 235.286 3.925 10 0 BHAELO Cc1cc([NH3+])ccc1NCc1ccc(Cl)cc1 ZINC000036950093 347979535 /nfs/dbraw/zinc/97/95/35/347979535.db2.gz PIIFFTBPFWYEJG-UHFFFAOYSA-N 1 2 246.741 3.843 10 0 BHAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1ccccc1 ZINC000036950106 178107748 /nfs/dbraw/zinc/10/77/48/178107748.db2.gz YZJKBZHMOUORDZ-LBPRGKRZSA-N 1 2 226.323 3.750 10 0 BHAELO Cc1cc([NH3+])ccc1N[C@H](C)c1ccccc1 ZINC000036950107 178107710 /nfs/dbraw/zinc/10/77/10/178107710.db2.gz YZJKBZHMOUORDZ-GFCCVEGCSA-N 1 2 226.323 3.750 10 0 BHAELO Cc1cc([NH3+])ccc1NCc1ccccc1Cl ZINC000036950118 178107592 /nfs/dbraw/zinc/10/75/92/178107592.db2.gz UXYNIQPWQGUSQX-UHFFFAOYSA-N 1 2 246.741 3.843 10 0 BHAELO C[C@@H](C[NH2+]c1ccc(O)cc1)c1ccccc1 ZINC000037131710 343335364 /nfs/dbraw/zinc/33/53/64/343335364.db2.gz CSZPBUGVQISWMI-LBPRGKRZSA-N 1 2 227.307 3.608 10 0 BHAELO C[C@H](C[NH2+]c1ccc(O)cc1)c1ccccc1 ZINC000037131711 343335421 /nfs/dbraw/zinc/33/54/21/343335421.db2.gz CSZPBUGVQISWMI-GFCCVEGCSA-N 1 2 227.307 3.608 10 0 BHAELO CC[C@H]([NH2+]c1ccc(N(C)C)cc1)C(C)C ZINC000037270181 712565101 /nfs/dbraw/zinc/56/51/01/712565101.db2.gz NYVCLZYAVAPIAN-AWEZNQCLSA-N 1 2 220.360 3.599 10 0 BHAELO CC[C@@H]([NH2+]c1ccc(N(C)C)cc1)C(C)C ZINC000037270183 712565094 /nfs/dbraw/zinc/56/50/94/712565094.db2.gz NYVCLZYAVAPIAN-CQSZACIVSA-N 1 2 220.360 3.599 10 0 BHAELO CCCOc1cc(C)ccc1[NH2+][C@@H](C)C1CC1 ZINC000037778142 169314850 /nfs/dbraw/zinc/31/48/50/169314850.db2.gz XQMRKQUIZARENC-LBPRGKRZSA-N 1 2 233.355 3.994 10 0 BHAELO CCCOc1cc(C)ccc1[NH2+][C@H](C)C1CC1 ZINC000037778143 169314773 /nfs/dbraw/zinc/31/47/73/169314773.db2.gz XQMRKQUIZARENC-GFCCVEGCSA-N 1 2 233.355 3.994 10 0 BHAELO CC[C@H](C)[NH2+]c1ccc(N2CCCC2)c(F)c1 ZINC000037781070 171349964 /nfs/dbraw/zinc/34/99/64/171349964.db2.gz ZHQIVAZVEKEZSN-NSHDSACASA-N 1 2 236.334 3.636 10 0 BHAELO CCOc1ccc([NH2+][C@@H](C)C2(C)CC2)c(C)c1 ZINC000037781892 170553699 /nfs/dbraw/zinc/55/36/99/170553699.db2.gz KQFGSRQFRRTJOT-LBPRGKRZSA-N 1 2 233.355 3.994 10 0 BHAELO CCOc1ccc([NH2+][C@H](C)C2(C)CC2)c(C)c1 ZINC000037781893 170554215 /nfs/dbraw/zinc/55/42/15/170554215.db2.gz KQFGSRQFRRTJOT-GFCCVEGCSA-N 1 2 233.355 3.994 10 0 BHAELO COc1cc(C)ccc1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037783185 174969302 /nfs/dbraw/zinc/96/93/02/174969302.db2.gz KEPPSSYSNZFYGW-YPMHNXCESA-N 1 2 233.355 3.994 10 0 BHAELO CCOC(=[NH2+])C(c1ccccc1)c1ccccc1 ZINC000037928028 170180048 /nfs/dbraw/zinc/18/00/48/170180048.db2.gz CULCXPSPYGPFDP-UHFFFAOYSA-N 1 2 239.318 3.832 10 0 BHAELO C[C@H](Nc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000037975311 350296320 /nfs/dbraw/zinc/29/63/20/350296320.db2.gz FHBAMLAUSPQRNT-JTQLQIEISA-N 1 2 232.714 3.908 10 0 BHAELO CCc1ccc([C@@H](C)Nc2cccc[nH+]2)cc1 ZINC000037975932 386112383 /nfs/dbraw/zinc/11/23/83/386112383.db2.gz MBZRZBPTGBQAAG-GFCCVEGCSA-N 1 2 226.323 3.817 10 0 BHAELO CCc1ccc([C@H](C)Nc2cccc[nH+]2)cc1 ZINC000037975933 386110677 /nfs/dbraw/zinc/11/06/77/386110677.db2.gz MBZRZBPTGBQAAG-LBPRGKRZSA-N 1 2 226.323 3.817 10 0 BHAELO CC(C)(C)c1ccc(-c2cccc(N)[nH+]2)cc1 ZINC000038069230 188219312 /nfs/dbraw/zinc/21/93/12/188219312.db2.gz VTYWSIIXKDHEGM-UHFFFAOYSA-N 1 2 226.323 3.628 10 0 BHAELO CCCCc1ccc(-c2cccc(N)[nH+]2)cc1 ZINC000038069243 169018844 /nfs/dbraw/zinc/01/88/44/169018844.db2.gz AWHADHALYPCFRZ-UHFFFAOYSA-N 1 2 226.323 3.673 10 0 BHAELO CC(C)Cc1ccc(-c2cccc(N)[nH+]2)cc1 ZINC000038069284 188116656 /nfs/dbraw/zinc/11/66/56/188116656.db2.gz HLWCAGYVKJXLIZ-UHFFFAOYSA-N 1 2 226.323 3.529 10 0 BHAELO c1cn2c([nH+]1)-c1ccccc1-c1ccccc1-2 ZINC000038276575 384081493 /nfs/dbraw/zinc/08/14/93/384081493.db2.gz SHWNDUJCIYUZRF-UHFFFAOYSA-N 1 2 218.259 3.520 10 0 BHAELO Cc1[nH+]cccc1C(C)(C)c1ccccc1 ZINC000039109165 180215981 /nfs/dbraw/zinc/21/59/81/180215981.db2.gz KCTFJCVUGQCVQX-UHFFFAOYSA-N 1 2 211.308 3.716 10 0 BHAELO Cc1ccc(OC(=[NH2+])c2ccc(C)cc2)cc1 ZINC000039110872 384106210 /nfs/dbraw/zinc/10/62/10/384106210.db2.gz GQRKCZQEUNXXTR-UHFFFAOYSA-N 1 2 225.291 3.708 10 0 BHAELO Cc1c(-c2ccccc2)[nH+]c2cccc(C)n12 ZINC000039424319 179228690 /nfs/dbraw/zinc/22/86/90/179228690.db2.gz MIFUVOUWZRCEOA-UHFFFAOYSA-N 1 2 222.291 3.618 10 0 BHAELO Cc1c(-c2ccccc2)[nH+]c2c(C)cccn12 ZINC000039424320 179353651 /nfs/dbraw/zinc/35/36/51/179353651.db2.gz QCDMGUJKUPMRKB-UHFFFAOYSA-N 1 2 222.291 3.618 10 0 BHAELO Cc1cc(Cl)cn2cc(-c3ccccc3)[nH+]c12 ZINC000040383789 178069757 /nfs/dbraw/zinc/06/97/57/178069757.db2.gz BHQCHJDDZWMFRS-UHFFFAOYSA-N 1 2 242.709 3.963 10 0 BHAELO CCOCCCn1c2ccccc2[nH+]c1C(C)C ZINC000040389456 170385707 /nfs/dbraw/zinc/38/57/07/170385707.db2.gz KSOFJEITZBBBBM-UHFFFAOYSA-N 1 2 246.354 3.586 10 0 BHAELO Cc1[nH+]c2cc(Cl)ccc2n1Cc1ccco1 ZINC000040409783 180080302 /nfs/dbraw/zinc/08/03/02/180080302.db2.gz LEUZHGQTWWNLBM-UHFFFAOYSA-N 1 2 246.697 3.639 10 0 BHAELO Cc1[nH+]c2ccc(Cl)cc2n1Cc1ccco1 ZINC000040409787 180091085 /nfs/dbraw/zinc/09/10/85/180091085.db2.gz WNXGLKMMINEUKK-UHFFFAOYSA-N 1 2 246.697 3.639 10 0 BHAELO CCn1c2cc(Cl)ccc2[nH+]c1C(C)C ZINC000040417178 172134348 /nfs/dbraw/zinc/13/43/48/172134348.db2.gz LRTFYBOHFHZVGG-UHFFFAOYSA-N 1 2 222.719 3.833 10 0 BHAELO CCn1c2cc(Cl)ccc2[nH+]c1C1CC1 ZINC000040417191 172141536 /nfs/dbraw/zinc/14/15/36/172141536.db2.gz WBDAIOFJPRCFSH-UHFFFAOYSA-N 1 2 220.703 3.587 10 0 BHAELO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1C(C)C ZINC000040417280 180078274 /nfs/dbraw/zinc/07/82/74/180078274.db2.gz WTTRIXIWZHFCPT-UHFFFAOYSA-N 1 2 242.244 3.944 10 0 BHAELO Cc1[nH+]c2cc(Cl)ccc2n1C(C)C ZINC000040417337 180079903 /nfs/dbraw/zinc/07/99/03/180079903.db2.gz ALBPYCUITZRGDQ-UHFFFAOYSA-N 1 2 208.692 3.579 10 0 BHAELO Cc1[nH+]c2ccc(Cl)cc2n1C(C)C ZINC000040417338 180090863 /nfs/dbraw/zinc/09/08/63/180090863.db2.gz OTCCQOKUTHAGRN-UHFFFAOYSA-N 1 2 208.692 3.579 10 0 BHAELO CCc1[nH+]c2cc(Cl)ccc2n1C(C)C ZINC000040417339 172010927 /nfs/dbraw/zinc/01/09/27/172010927.db2.gz SNJSTOJWXPZJHT-UHFFFAOYSA-N 1 2 222.719 3.833 10 0 BHAELO CCc1[nH+]c2ccc(Cl)cc2n1C(C)C ZINC000040417340 172012948 /nfs/dbraw/zinc/01/29/48/172012948.db2.gz ZTFMDWUZRYXKMZ-UHFFFAOYSA-N 1 2 222.719 3.833 10 0 BHAELO CCCn1c(C)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000040417440 169612086 /nfs/dbraw/zinc/61/20/86/169612086.db2.gz PPLXUMJVIOGUGA-UHFFFAOYSA-N 1 2 242.244 3.774 10 0 BHAELO Cc1[nH+]c2cc(Cl)ccc2n1CC(C)C ZINC000040417654 180080458 /nfs/dbraw/zinc/08/04/58/180080458.db2.gz WOGPERWVYUYEKQ-UHFFFAOYSA-N 1 2 222.719 3.654 10 0 BHAELO Cc1[nH+]c2ccc(Cl)cc2n1CC(C)C ZINC000040417655 180090972 /nfs/dbraw/zinc/09/09/72/180090972.db2.gz IKTRRBHNJQFHNU-UHFFFAOYSA-N 1 2 222.719 3.654 10 0 BHAELO CCc1[nH+]c2cc(Cl)ccc2n1CC(C)C ZINC000040417656 172010430 /nfs/dbraw/zinc/01/04/30/172010430.db2.gz XZBVTNOBTJFICJ-UHFFFAOYSA-N 1 2 236.746 3.908 10 0 BHAELO CCc1[nH+]c2ccc(Cl)cc2n1CC(C)C ZINC000040417657 172011835 /nfs/dbraw/zinc/01/18/35/172011835.db2.gz LPRRMRNHGBYTAU-UHFFFAOYSA-N 1 2 236.746 3.908 10 0 BHAELO CCc1ccc([C@@H](C)Nc2cc(C)[nH+]cn2)cc1 ZINC000040727340 398168731 /nfs/dbraw/zinc/16/87/31/398168731.db2.gz JRCDGXHRDBOIRZ-GFCCVEGCSA-N 1 2 241.338 3.521 10 0 BHAELO CCc1ccc([C@H](C)Nc2cc(C)[nH+]cn2)cc1 ZINC000040727342 171840656 /nfs/dbraw/zinc/84/06/56/171840656.db2.gz JRCDGXHRDBOIRZ-LBPRGKRZSA-N 1 2 241.338 3.521 10 0 BHAELO COc1ccc([NH2+]CC2CCCC2)cc1Cl ZINC000041282816 175150847 /nfs/dbraw/zinc/15/08/47/175150847.db2.gz QXHJAOFZAIOFCV-UHFFFAOYSA-N 1 2 239.746 3.951 10 0 BHAELO C[C@H](Sc1ccc(N)[nH+]c1)c1ccccc1 ZINC000041570356 177029087 /nfs/dbraw/zinc/02/90/87/177029087.db2.gz KLIPIFMDAZUFPR-JTQLQIEISA-N 1 2 230.336 3.517 10 0 BHAELO C[C@@H](Sc1ccc(N)[nH+]c1)c1ccccc1 ZINC000041570358 176009369 /nfs/dbraw/zinc/00/93/69/176009369.db2.gz KLIPIFMDAZUFPR-SNVBAGLBSA-N 1 2 230.336 3.517 10 0 BHAELO Cc1cc2[nH+]cn(-c3ccccc3)c2cc1C ZINC000042202505 374254838 /nfs/dbraw/zinc/25/48/38/374254838.db2.gz NMIDZOSHHWBEQJ-UHFFFAOYSA-N 1 2 222.291 3.642 10 0 BHAELO C[C@H](Nc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000042205811 352615155 /nfs/dbraw/zinc/61/51/55/352615155.db2.gz OXCTWMBKBLPHHM-JTQLQIEISA-N 1 2 232.714 3.908 10 0 BHAELO C[C@@H](Nc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000042205814 352615133 /nfs/dbraw/zinc/61/51/33/352615133.db2.gz OXCTWMBKBLPHHM-SNVBAGLBSA-N 1 2 232.714 3.908 10 0 BHAELO C[C@H](Nc1cccc[nH+]1)c1ccc(Cl)s1 ZINC000042338003 344450928 /nfs/dbraw/zinc/45/09/28/344450928.db2.gz YOURSGJJTXXTRY-QMMMGPOBSA-N 1 2 238.743 3.970 10 0 BHAELO C[C@@H](Nc1cccc[nH+]1)c1ccc(Cl)s1 ZINC000042338004 344450914 /nfs/dbraw/zinc/45/09/14/344450914.db2.gz YOURSGJJTXXTRY-MRVPVSSYSA-N 1 2 238.743 3.970 10 0 BHAELO CC[C@H](C)[C@@H](C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000042552560 171367893 /nfs/dbraw/zinc/36/78/93/171367893.db2.gz RWVSMXPNZJSHHC-WDEREUQCSA-N 1 2 243.354 3.664 10 0 BHAELO CC[C@H](C)[C@H](C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000042552566 171391672 /nfs/dbraw/zinc/39/16/72/171391672.db2.gz RWVSMXPNZJSHHC-QWRGUYRKSA-N 1 2 243.354 3.664 10 0 BHAELO CC[C@H](C)[C@@H](C)Nc1ccc2[nH+]cccc2c1N ZINC000042552643 171367690 /nfs/dbraw/zinc/36/76/90/171367690.db2.gz MQHKAZVCDJVNKN-WDEREUQCSA-N 1 2 243.354 3.664 10 0 BHAELO CC[C@H](C)[C@H](C)Nc1ccc2[nH+]cccc2c1N ZINC000042552649 171391291 /nfs/dbraw/zinc/39/12/91/171391291.db2.gz MQHKAZVCDJVNKN-QWRGUYRKSA-N 1 2 243.354 3.664 10 0 BHAELO CC[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000042557048 171368006 /nfs/dbraw/zinc/36/80/06/171368006.db2.gz KGCNBYNLJKREFK-CMPLNLGQSA-N 1 2 235.375 3.755 10 0 BHAELO CC[C@H](C)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000042557054 171391404 /nfs/dbraw/zinc/39/14/04/171391404.db2.gz KGCNBYNLJKREFK-JQWIXIFHSA-N 1 2 235.375 3.755 10 0 BHAELO CCCCC[C@H](C)n1c(N)[nH+]c2c1cccc2F ZINC000042572387 168744341 /nfs/dbraw/zinc/74/43/41/168744341.db2.gz QRIASOILKCLAES-JTQLQIEISA-N 1 2 249.333 3.899 10 0 BHAELO Cc1cc(N)ccc1[NH2+][C@@H](C)Cc1ccsc1 ZINC000042599240 178107358 /nfs/dbraw/zinc/10/73/58/178107358.db2.gz LXFLBSSVJNEDIE-NSHDSACASA-N 1 2 246.379 3.682 10 0 BHAELO Cc1cc(N)ccc1[NH2+][C@H](C)Cc1ccsc1 ZINC000042599243 178107148 /nfs/dbraw/zinc/10/71/48/178107148.db2.gz LXFLBSSVJNEDIE-LLVKDONJSA-N 1 2 246.379 3.682 10 0 BHAELO Cc1cc([NH2+][C@@H](C)Cc2ccsc2)ccc1N ZINC000042599285 178178533 /nfs/dbraw/zinc/17/85/33/178178533.db2.gz STRWEQBTPHBVMI-NSHDSACASA-N 1 2 246.379 3.682 10 0 BHAELO Cc1cc([NH2+][C@H](C)Cc2ccsc2)ccc1N ZINC000042599289 178185872 /nfs/dbraw/zinc/18/58/72/178185872.db2.gz STRWEQBTPHBVMI-LLVKDONJSA-N 1 2 246.379 3.682 10 0 BHAELO C[C@@H]1CCCC[C@@H]1C[NH2+]c1ccc(N)cc1F ZINC000042859957 176077903 /nfs/dbraw/zinc/07/79/03/176077903.db2.gz ZPGCUOUQRWQIPA-GHMZBOCLSA-N 1 2 236.334 3.646 10 0 BHAELO C[C@H]1CCCC[C@@H]1C[NH2+]c1ccc(N)cc1F ZINC000042859959 177080747 /nfs/dbraw/zinc/08/07/47/177080747.db2.gz ZPGCUOUQRWQIPA-WDEREUQCSA-N 1 2 236.334 3.646 10 0 BHAELO C[C@@H]1CCCC[C@H]1C[NH2+]c1ccc(N)cc1F ZINC000042859961 176085482 /nfs/dbraw/zinc/08/54/82/176085482.db2.gz ZPGCUOUQRWQIPA-MNOVXSKESA-N 1 2 236.334 3.646 10 0 BHAELO C[C@H]1CCCC[C@H]1C[NH2+]c1ccc(N)cc1F ZINC000042859963 177086104 /nfs/dbraw/zinc/08/61/04/177086104.db2.gz ZPGCUOUQRWQIPA-QWRGUYRKSA-N 1 2 236.334 3.646 10 0 BHAELO Cc1[nH+]c2ccccc2n1Cc1cccc(F)c1 ZINC000043255798 180103905 /nfs/dbraw/zinc/10/39/05/180103905.db2.gz ZESAGRMBBBCSRR-UHFFFAOYSA-N 1 2 240.281 3.532 10 0 BHAELO CC(C)(C)c1ccc(Oc2cc(N)cc[nH+]2)cc1 ZINC000043569389 343172522 /nfs/dbraw/zinc/17/25/22/343172522.db2.gz PYPGWCDKARRBOL-UHFFFAOYSA-N 1 2 242.322 3.754 10 0 BHAELO CC(C)C[NH2+]c1ccc(O)c2ccccc12 ZINC000045288081 167017574 /nfs/dbraw/zinc/01/75/74/167017574.db2.gz CVCVCGFWHZQVHE-UHFFFAOYSA-N 1 2 215.296 3.613 10 0 BHAELO CCc1cc2c3ccccc3[nH]c2c(C)[nH+]1 ZINC000045806215 343534995 /nfs/dbraw/zinc/53/49/95/343534995.db2.gz ZUDVCBXDHGAKBX-UHFFFAOYSA-N 1 2 210.280 3.587 10 0 BHAELO c1ccc(N[C@H]2CCCc3ccccc32)[nH+]c1 ZINC000047915254 384470355 /nfs/dbraw/zinc/47/03/55/384470355.db2.gz ZBIBOAZQUKPJSN-AWEZNQCLSA-N 1 2 224.307 3.571 10 0 BHAELO c1ccc(N[C@@H]2CCCc3ccccc32)[nH+]c1 ZINC000047915256 384470593 /nfs/dbraw/zinc/47/05/93/384470593.db2.gz ZBIBOAZQUKPJSN-CQSZACIVSA-N 1 2 224.307 3.571 10 0 BHAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1ccc(F)cc1 ZINC000049505889 178107758 /nfs/dbraw/zinc/10/77/58/178107758.db2.gz SRPNKTZYHPEDKF-NSHDSACASA-N 1 2 244.313 3.889 10 0 BHAELO Cc1cc([NH3+])ccc1N[C@H](C)c1ccc(F)cc1 ZINC000049505891 178107537 /nfs/dbraw/zinc/10/75/37/178107537.db2.gz SRPNKTZYHPEDKF-LLVKDONJSA-N 1 2 244.313 3.889 10 0 BHAELO Cc1cc(N[C@@H](C)c2ccc(Cl)cc2)nc[nH+]1 ZINC000049526140 178178770 /nfs/dbraw/zinc/17/87/70/178178770.db2.gz GUWDZRRNVOTPNB-JTQLQIEISA-N 1 2 247.729 3.612 10 0 BHAELO Cc1cc(N[C@H](C)c2ccc(Cl)cc2)nc[nH+]1 ZINC000049526141 178187954 /nfs/dbraw/zinc/18/79/54/178187954.db2.gz GUWDZRRNVOTPNB-SNVBAGLBSA-N 1 2 247.729 3.612 10 0 BHAELO CCc1cc(N[C@@H](C)c2ccccc2C)nc[nH+]1 ZINC000049526232 356475367 /nfs/dbraw/zinc/47/53/67/356475367.db2.gz NJEAUYAEMCHWGC-LBPRGKRZSA-N 1 2 241.338 3.521 10 0 BHAELO CCc1cc(N[C@H](C)c2ccccc2C)nc[nH+]1 ZINC000049526233 356475429 /nfs/dbraw/zinc/47/54/29/356475429.db2.gz NJEAUYAEMCHWGC-GFCCVEGCSA-N 1 2 241.338 3.521 10 0 BHAELO COc1ccc([NH2+]C2CCC(C)CC2)cc1C ZINC000049528234 175149668 /nfs/dbraw/zinc/14/96/68/175149668.db2.gz OYQDFUZVOQJPBV-UHFFFAOYSA-N 1 2 233.355 3.994 10 0 BHAELO COc1ccc([NH2+]C(C2CC2)C2CC2)cc1C ZINC000049528293 175149948 /nfs/dbraw/zinc/14/99/48/175149948.db2.gz BRKCQPDQWXQHDU-UHFFFAOYSA-N 1 2 231.339 3.604 10 0 BHAELO COc1ccc([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)cc1C ZINC000049528664 175154948 /nfs/dbraw/zinc/15/49/48/175154948.db2.gz SHGGZHANUHVZCA-OUCADQQQSA-N 1 2 231.339 3.604 10 0 BHAELO COc1ccc([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cc1C ZINC000049528665 175156293 /nfs/dbraw/zinc/15/62/93/175156293.db2.gz SHGGZHANUHVZCA-SCRDCRAPSA-N 1 2 231.339 3.604 10 0 BHAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1ccccc1F ZINC000049528784 178107252 /nfs/dbraw/zinc/10/72/52/178107252.db2.gz FGDYIWIQHJJHMA-NSHDSACASA-N 1 2 244.313 3.889 10 0 BHAELO Cc1cc([NH3+])ccc1N[C@H](C)c1ccccc1F ZINC000049528785 178107743 /nfs/dbraw/zinc/10/77/43/178107743.db2.gz FGDYIWIQHJJHMA-LLVKDONJSA-N 1 2 244.313 3.889 10 0 BHAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1cccc(F)c1 ZINC000049528916 178107405 /nfs/dbraw/zinc/10/74/05/178107405.db2.gz IATCWYPJAINNPA-NSHDSACASA-N 1 2 244.313 3.889 10 0 BHAELO Cc1cc([NH3+])ccc1N[C@H](C)c1cccc(F)c1 ZINC000049528917 178107099 /nfs/dbraw/zinc/10/70/99/178107099.db2.gz IATCWYPJAINNPA-LLVKDONJSA-N 1 2 244.313 3.889 10 0 BHAELO CC[C@H](Nc1cccc[nH+]1)c1cccs1 ZINC000049531192 344649938 /nfs/dbraw/zinc/64/99/38/344649938.db2.gz PWLGZMNIDDUJKK-JTQLQIEISA-N 1 2 218.325 3.706 10 0 BHAELO CC[C@@H](Nc1cccc[nH+]1)c1cccs1 ZINC000049531193 344650164 /nfs/dbraw/zinc/65/01/64/344650164.db2.gz PWLGZMNIDDUJKK-SNVBAGLBSA-N 1 2 218.325 3.706 10 0 BHAELO CCC[C@@H](Nc1cc(C)[nH+]cn1)c1cccs1 ZINC000049545886 169403310 /nfs/dbraw/zinc/40/33/10/169403310.db2.gz DSWVPWWXBOOOIE-LLVKDONJSA-N 1 2 247.367 3.800 10 0 BHAELO Cc1cc(N[C@@H](c2cccs2)C(C)C)nc[nH+]1 ZINC000049558315 178181137 /nfs/dbraw/zinc/18/11/37/178181137.db2.gz LDGDSEPRCYBMRW-CYBMUJFWSA-N 1 2 247.367 3.656 10 0 BHAELO Cc1cc(N[C@H](c2cccs2)C(C)C)nc[nH+]1 ZINC000049558316 178186833 /nfs/dbraw/zinc/18/68/33/178186833.db2.gz LDGDSEPRCYBMRW-ZDUSSCGKSA-N 1 2 247.367 3.656 10 0 BHAELO Cc1cc(N)ccc1[NH2+][C@@H](C)CCc1ccco1 ZINC000049564425 178106429 /nfs/dbraw/zinc/10/64/29/178106429.db2.gz RJOKYTUPWNJYDJ-LBPRGKRZSA-N 1 2 244.338 3.603 10 0 BHAELO Cc1cc(N)ccc1[NH2+][C@H](C)CCc1ccco1 ZINC000049564426 178107684 /nfs/dbraw/zinc/10/76/84/178107684.db2.gz RJOKYTUPWNJYDJ-GFCCVEGCSA-N 1 2 244.338 3.603 10 0 BHAELO Cc1ccc(CSc2ccc(N)[nH+]c2)cc1C ZINC000049668814 178646187 /nfs/dbraw/zinc/64/61/87/178646187.db2.gz NLLJUHRYUWWVJW-UHFFFAOYSA-N 1 2 244.363 3.573 10 0 BHAELO CC[C@@H](C)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714959 170804644 /nfs/dbraw/zinc/80/46/44/170804644.db2.gz SMEXVRYICUWDHF-LLVKDONJSA-N 1 2 229.327 3.535 10 0 BHAELO CC[C@H](C)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714960 171410316 /nfs/dbraw/zinc/41/03/16/171410316.db2.gz SMEXVRYICUWDHF-NSHDSACASA-N 1 2 229.327 3.535 10 0 BHAELO Cc1cc([NH3+])ccc1N(C)[C@@H](C)c1cccs1 ZINC000049726995 178105652 /nfs/dbraw/zinc/10/56/52/178105652.db2.gz FFQIJJLDMQFHKI-NSHDSACASA-N 1 2 246.379 3.836 10 0 BHAELO Cc1cc([NH3+])ccc1N(C)[C@H](C)c1cccs1 ZINC000049726997 178105191 /nfs/dbraw/zinc/10/51/91/178105191.db2.gz FFQIJJLDMQFHKI-LLVKDONJSA-N 1 2 246.379 3.836 10 0 BHAELO Clc1cccc2c1[NH+]=C1CCCCCN1C2 ZINC000049756714 384899153 /nfs/dbraw/zinc/89/91/53/384899153.db2.gz IPSRZRXARJYFKS-UHFFFAOYSA-N 1 2 234.730 3.760 10 0 BHAELO Cc1ccc(-c2cn3c([nH+]2)CCCC3)cc1C ZINC000049820478 178328216 /nfs/dbraw/zinc/32/82/16/178328216.db2.gz OSQJFOOJJUIDHT-UHFFFAOYSA-N 1 2 226.323 3.503 10 0 BHAELO Cc1ccc(-c2cn3c([nH+]2)CCCC3)c(C)c1 ZINC000049820479 178328241 /nfs/dbraw/zinc/32/82/41/178328241.db2.gz AFDCILCHIFBVAT-UHFFFAOYSA-N 1 2 226.323 3.503 10 0 BHAELO Cc1ccc(-c2cn3c([nH+]2)C[C@H](C)CC3)cc1C ZINC000049830257 178327599 /nfs/dbraw/zinc/32/75/99/178327599.db2.gz HZONZABYKQBXCL-LLVKDONJSA-N 1 2 240.350 3.749 10 0 BHAELO Cc1ccc(-c2cn3c([nH+]2)C[C@@H](C)CC3)cc1C ZINC000049830258 178327991 /nfs/dbraw/zinc/32/79/91/178327991.db2.gz HZONZABYKQBXCL-NSHDSACASA-N 1 2 240.350 3.749 10 0 BHAELO Cc1ccc(-c2cn3c([nH+]2)C[C@H](C)CC3)c(C)c1 ZINC000049830259 178328415 /nfs/dbraw/zinc/32/84/15/178328415.db2.gz AGQMHRUARNVIRF-GFCCVEGCSA-N 1 2 240.350 3.749 10 0 BHAELO Cc1ccc(-c2cn3c([nH+]2)C[C@@H](C)CC3)c(C)c1 ZINC000049830260 178328329 /nfs/dbraw/zinc/32/83/29/178328329.db2.gz AGQMHRUARNVIRF-LBPRGKRZSA-N 1 2 240.350 3.749 10 0 BHAELO Cc1ccccc1[C@@H](C)Nc1cccc[nH+]1 ZINC000049943000 179323501 /nfs/dbraw/zinc/32/35/01/179323501.db2.gz LHMLCYDVVSYMRA-GFCCVEGCSA-N 1 2 212.296 3.563 10 0 BHAELO Cc1ccccc1[C@H](C)Nc1cccc[nH+]1 ZINC000049943001 179340347 /nfs/dbraw/zinc/34/03/47/179340347.db2.gz LHMLCYDVVSYMRA-LBPRGKRZSA-N 1 2 212.296 3.563 10 0 BHAELO CC[C@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000050197688 358718470 /nfs/dbraw/zinc/71/84/70/358718470.db2.gz APEQMSVUOCYKQD-ZDUSSCGKSA-N 1 2 212.296 3.645 10 0 BHAELO CC[C@@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000050197690 358718207 /nfs/dbraw/zinc/71/82/07/358718207.db2.gz APEQMSVUOCYKQD-CYBMUJFWSA-N 1 2 212.296 3.645 10 0 BHAELO Cc1cc(CO)ccc1[NH+](CC(C)C)CC(C)C ZINC000050560960 178045997 /nfs/dbraw/zinc/04/59/97/178045997.db2.gz NJJACNHVQIGTJV-UHFFFAOYSA-N 1 2 249.398 3.606 10 0 BHAELO CCNc1ccc(COC2CCC(C)CC2)c[nH+]1 ZINC000050831969 170173694 /nfs/dbraw/zinc/17/36/94/170173694.db2.gz ZOXQUXSTEIFJNJ-UHFFFAOYSA-N 1 2 248.370 3.609 10 0 BHAELO CNc1ccc(CSCc2ccccc2)c[nH+]1 ZINC000050833907 173478731 /nfs/dbraw/zinc/47/87/31/173478731.db2.gz BRVGGLFFHQTIAK-UHFFFAOYSA-N 1 2 244.363 3.557 10 0 BHAELO CCCNc1cc[nH+]c2c(OCCC)cccc12 ZINC000050843679 169296167 /nfs/dbraw/zinc/29/61/67/169296167.db2.gz LOYGWHGIOVHHFU-UHFFFAOYSA-N 1 2 244.338 3.846 10 0 BHAELO CNc1cc[nH+]c2c(Cl)c(Cl)ccc12 ZINC000050844161 384495770 /nfs/dbraw/zinc/49/57/70/384495770.db2.gz HYYYETRKSLTWEX-UHFFFAOYSA-N 1 2 227.094 3.583 10 0 BHAELO CC1CCC(c2nc(N)cc(C(C)(C)C)[nH+]2)CC1 ZINC000050846131 168169094 /nfs/dbraw/zinc/16/90/94/168169094.db2.gz VOPNFLNLEOQQFZ-UHFFFAOYSA-N 1 2 247.386 3.650 10 0 BHAELO CCNc1cc(C)[nH+]c(-c2ccc(Cl)cc2)n1 ZINC000050848767 170172530 /nfs/dbraw/zinc/17/25/30/170172530.db2.gz VUXBURXVCRPVEN-UHFFFAOYSA-N 1 2 247.729 3.537 10 0 BHAELO CCCNc1cc(C)[nH+]c(-c2ccccc2C)n1 ZINC000050849003 169293454 /nfs/dbraw/zinc/29/34/54/169293454.db2.gz IUMWLEVSPODTSA-UHFFFAOYSA-N 1 2 241.338 3.582 10 0 BHAELO CCCNc1cc(C)[nH+]c(-c2ccc(C)cc2)n1 ZINC000050849011 169293449 /nfs/dbraw/zinc/29/34/49/169293449.db2.gz JNGXQPAJGGDYJO-UHFFFAOYSA-N 1 2 241.338 3.582 10 0 BHAELO CCCNc1cc(C)[nH+]c(-c2cccc(C)c2)n1 ZINC000050849023 169293521 /nfs/dbraw/zinc/29/35/21/169293521.db2.gz AHGSAASTLCABDD-UHFFFAOYSA-N 1 2 241.338 3.582 10 0 BHAELO CCCNc1cc(C)[nH+]c(C2CCCCC2)n1 ZINC000050849026 169293822 /nfs/dbraw/zinc/29/38/22/169293822.db2.gz XFCYWSBFPNJLCZ-UHFFFAOYSA-N 1 2 233.359 3.655 10 0 BHAELO CCCNc1cc(C(C)(C)C)[nH+]c(C(C)C)n1 ZINC000050850740 169293676 /nfs/dbraw/zinc/29/36/76/169293676.db2.gz DQAVXGKBWRTHCJ-UHFFFAOYSA-N 1 2 235.375 3.719 10 0 BHAELO CCCNc1cc(CC)[nH+]c(-c2ccsc2)n1 ZINC000050851409 169293328 /nfs/dbraw/zinc/29/33/28/169293328.db2.gz HFOYJYYDGLTXEN-UHFFFAOYSA-N 1 2 247.367 3.589 10 0 BHAELO CCNc1cc(C(C)C)[nH+]c(C2CCCC2)n1 ZINC000050851740 170171422 /nfs/dbraw/zinc/17/14/22/170171422.db2.gz CNQYJXBIQLPBIP-UHFFFAOYSA-N 1 2 233.359 3.689 10 0 BHAELO CCCNc1nc(-c2ccccc2)[nH+]c(C)c1C ZINC000050864330 169296227 /nfs/dbraw/zinc/29/62/27/169296227.db2.gz KYBHFIHLGHVLFJ-UHFFFAOYSA-N 1 2 241.338 3.582 10 0 BHAELO CCNc1cc(C)[nH+]c(-c2cccc(C)c2C)n1 ZINC000050864669 170172351 /nfs/dbraw/zinc/17/23/51/170172351.db2.gz ACRYBXILNFYVES-UHFFFAOYSA-N 1 2 241.338 3.501 10 0 BHAELO CCNc1cc(C)[nH+]c(-c2cc(C)sc2C)n1 ZINC000050864676 170172281 /nfs/dbraw/zinc/17/22/81/170172281.db2.gz MJHBNKNDGBPKEI-UHFFFAOYSA-N 1 2 247.367 3.562 10 0 BHAELO CCNc1c2cccc(F)c2[nH+]c2c1CCCC2 ZINC000050869723 170171109 /nfs/dbraw/zinc/17/11/09/170171109.db2.gz BJXOEOSGNKGXCM-UHFFFAOYSA-N 1 2 244.313 3.685 10 0 BHAELO CCNc1cc(CC)[nH+]c2c(F)cc(C)cc12 ZINC000050870355 170171725 /nfs/dbraw/zinc/17/17/25/170171725.db2.gz NFBLUDBGNRKDCE-UHFFFAOYSA-N 1 2 232.302 3.677 10 0 BHAELO CCCNc1nc([C@@H](C)CC)[nH+]c(C)c1CC ZINC000051690727 169295597 /nfs/dbraw/zinc/29/55/97/169295597.db2.gz FUYBHWDHIIHMQS-JTQLQIEISA-N 1 2 235.375 3.683 10 0 BHAELO CCCNc1nc([C@H](C)CC)[nH+]c(C)c1CC ZINC000051690728 169295417 /nfs/dbraw/zinc/29/54/17/169295417.db2.gz FUYBHWDHIIHMQS-SNVBAGLBSA-N 1 2 235.375 3.683 10 0 BHAELO CCCNc1cc(C(C)C)[nH+]c([C@@H](C)CC)n1 ZINC000051690753 169293347 /nfs/dbraw/zinc/29/33/47/169293347.db2.gz GPMHBHCHAUWYMZ-NSHDSACASA-N 1 2 235.375 3.935 10 0 BHAELO CCCNc1cc(C(C)C)[nH+]c([C@H](C)CC)n1 ZINC000051690754 169293512 /nfs/dbraw/zinc/29/35/12/169293512.db2.gz GPMHBHCHAUWYMZ-LLVKDONJSA-N 1 2 235.375 3.935 10 0 BHAELO Cc1ccc2[nH]c(Cc3cccc(C)c3)[nH+]c2c1 ZINC000052136523 188299527 /nfs/dbraw/zinc/29/95/27/188299527.db2.gz GIVWKIDCQXWXCF-UHFFFAOYSA-N 1 2 236.318 3.771 10 0 BHAELO CCNc1cc(CO[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000052754811 170172061 /nfs/dbraw/zinc/17/20/61/170172061.db2.gz ZWIJSBQKSCIMIS-GXTWGEPZSA-N 1 2 248.370 3.609 10 0 BHAELO CCNc1cc(CO[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000052754813 170171818 /nfs/dbraw/zinc/17/18/18/170171818.db2.gz ZWIJSBQKSCIMIS-JSGCOSHPSA-N 1 2 248.370 3.609 10 0 BHAELO CCNc1cc(CO[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000052754815 170171990 /nfs/dbraw/zinc/17/19/90/170171990.db2.gz ZWIJSBQKSCIMIS-TZMCWYRMSA-N 1 2 248.370 3.609 10 0 BHAELO CCNc1cc(CO[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000052754816 170172000 /nfs/dbraw/zinc/17/20/00/170172000.db2.gz ZWIJSBQKSCIMIS-OCCSQVGLSA-N 1 2 248.370 3.609 10 0 BHAELO CNc1[nH+]cccc1CSc1ccccc1C ZINC000052756445 187271457 /nfs/dbraw/zinc/27/14/57/187271457.db2.gz MZOZEYNTRSUGLQ-UHFFFAOYSA-N 1 2 244.363 3.724 10 0 BHAELO CCCCc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC000052886408 169019673 /nfs/dbraw/zinc/01/96/73/169019673.db2.gz BJQJHVGEFPLPEH-UHFFFAOYSA-N 1 2 226.323 3.673 10 0 BHAELO COc1ccc([NH2+][C@@H](C)C2CCCC2)cc1C ZINC000054081205 175153380 /nfs/dbraw/zinc/15/33/80/175153380.db2.gz XMGAWPIACJHHTR-LBPRGKRZSA-N 1 2 233.355 3.994 10 0 BHAELO COc1ccc([NH2+][C@H](C)C2CCCC2)cc1C ZINC000054081207 175154876 /nfs/dbraw/zinc/15/48/76/175154876.db2.gz XMGAWPIACJHHTR-GFCCVEGCSA-N 1 2 233.355 3.994 10 0 BHAELO c1[nH]cc(CNc2ccccc2-c2ccccc2)[nH+]1 ZINC000054762938 183380707 /nfs/dbraw/zinc/38/07/07/183380707.db2.gz KIOHIMOXADWIJU-UHFFFAOYSA-N 1 2 249.317 3.689 10 0 BHAELO c1[nH]c(CNc2ccccc2-c2ccccc2)c[nH+]1 ZINC000054762938 183380706 /nfs/dbraw/zinc/38/07/06/183380706.db2.gz KIOHIMOXADWIJU-UHFFFAOYSA-N 1 2 249.317 3.689 10 0 BHAELO CCc1ccc([C@@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC000054935985 387829950 /nfs/dbraw/zinc/82/99/50/387829950.db2.gz ALGNMYKRLCSSMC-LLVKDONJSA-N 1 2 241.338 3.521 10 0 BHAELO CCc1ccc([C@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC000054935987 387828749 /nfs/dbraw/zinc/82/87/49/387828749.db2.gz ALGNMYKRLCSSMC-NSHDSACASA-N 1 2 241.338 3.521 10 0 BHAELO Cc1nc(N[C@@H](C)c2cccc(Cl)c2)cc[nH+]1 ZINC000054936036 180202735 /nfs/dbraw/zinc/20/27/35/180202735.db2.gz KTVCWXISDSXHDK-VIFPVBQESA-N 1 2 247.729 3.612 10 0 BHAELO Cc1nc(N[C@@H](C)c2ccc(Cl)cc2)cc[nH+]1 ZINC000054936256 358879613 /nfs/dbraw/zinc/87/96/13/358879613.db2.gz BGBRCXPXGRMTAZ-VIFPVBQESA-N 1 2 247.729 3.612 10 0 BHAELO Cc1nc(N[C@H](C)c2ccc(Cl)cc2)cc[nH+]1 ZINC000054936258 358879431 /nfs/dbraw/zinc/87/94/31/358879431.db2.gz BGBRCXPXGRMTAZ-SECBINFHSA-N 1 2 247.729 3.612 10 0 BHAELO C[C@H](O)c1ccc([NH+]2CCCCCCC2)cc1 ZINC000057508524 177017244 /nfs/dbraw/zinc/01/72/44/177017244.db2.gz RXLBQNHUUMVCRL-ZDUSSCGKSA-N 1 2 233.355 3.510 10 0 BHAELO Cc1[nH+]c2ccccc2n1-c1ccccc1Cl ZINC000059111790 347227433 /nfs/dbraw/zinc/22/74/33/347227433.db2.gz AUAVUOZGJBHHNL-UHFFFAOYSA-N 1 2 242.709 3.987 10 0 BHAELO COc1ccc([NH2+][C@@H]2CCCC[C@@H]2C)c(C)c1 ZINC000061565450 175153950 /nfs/dbraw/zinc/15/39/50/175153950.db2.gz NVMYAAFAVKMKQO-SMDDNHRTSA-N 1 2 233.355 3.994 10 0 BHAELO COc1ccc([NH2+][C@H]2CCCC[C@@H]2C)c(C)c1 ZINC000061565452 175155365 /nfs/dbraw/zinc/15/53/65/175155365.db2.gz NVMYAAFAVKMKQO-FZMZJTMJSA-N 1 2 233.355 3.994 10 0 BHAELO COc1ccc([NH2+][C@@H]2CCCC[C@H]2C)c(C)c1 ZINC000061565454 175154074 /nfs/dbraw/zinc/15/40/74/175154074.db2.gz NVMYAAFAVKMKQO-BXUZGUMPSA-N 1 2 233.355 3.994 10 0 BHAELO COc1ccc([NH2+][C@H]2CCCC[C@H]2C)c(C)c1 ZINC000061565456 175155745 /nfs/dbraw/zinc/15/57/45/175155745.db2.gz NVMYAAFAVKMKQO-RISCZKNCSA-N 1 2 233.355 3.994 10 0 BHAELO COc1ccc([NH2+]CC2CCCCC2)c(C)c1 ZINC000061565500 175150672 /nfs/dbraw/zinc/15/06/72/175150672.db2.gz YNMNCOMVOGXNCW-UHFFFAOYSA-N 1 2 233.355 3.996 10 0 BHAELO CCNc1nc(C2CCCC2)[nH+]c(C)c1C(C)C ZINC000061687467 170176251 /nfs/dbraw/zinc/17/62/51/170176251.db2.gz CISIIYKRPWNZSB-UHFFFAOYSA-N 1 2 247.386 3.998 10 0 BHAELO Cc1cc(F)c2[nH+]c(C)c(C(C)C)c(N)c2c1 ZINC000061687753 178075735 /nfs/dbraw/zinc/07/57/35/178075735.db2.gz KRHFENRCMXZICU-UHFFFAOYSA-N 1 2 232.302 3.696 10 0 BHAELO Cc1cc([NH+](C)C)ccc1NCCC(C)(C)C ZINC000061839193 178095433 /nfs/dbraw/zinc/09/54/33/178095433.db2.gz UWUCVRJUEDBKMG-UHFFFAOYSA-N 1 2 234.387 3.909 10 0 BHAELO Cc1cc(N(C)C)ccc1[NH2+]CCC(C)(C)C ZINC000061839193 178095430 /nfs/dbraw/zinc/09/54/30/178095430.db2.gz UWUCVRJUEDBKMG-UHFFFAOYSA-N 1 2 234.387 3.909 10 0 BHAELO CCCn1cc[nH+]c1CNc1ccc(C)cc1C ZINC000061877246 188486593 /nfs/dbraw/zinc/48/65/93/188486593.db2.gz AYGDMACHEMPTJR-UHFFFAOYSA-N 1 2 243.354 3.522 10 0 BHAELO CCCn1cc[nH+]c1CNc1cccc(Cl)c1 ZINC000061877336 188302789 /nfs/dbraw/zinc/30/27/89/188302789.db2.gz UUEROUHOQDMJAU-UHFFFAOYSA-N 1 2 249.745 3.559 10 0 BHAELO CCCn1cc[nH+]c1CNc1cccc(C)c1C ZINC000061877375 188302091 /nfs/dbraw/zinc/30/20/91/188302091.db2.gz YIXWERPSQJWDGT-UHFFFAOYSA-N 1 2 243.354 3.522 10 0 BHAELO Cc1cc([NH2+][C@@H](C)Cc2ccccc2)ccc1N ZINC000062185326 178178861 /nfs/dbraw/zinc/17/88/61/178178861.db2.gz NFOHEIYMBKFQKQ-ZDUSSCGKSA-N 1 2 240.350 3.620 10 0 BHAELO Cc1cc([NH2+][C@H](C)Cc2ccccc2)ccc1N ZINC000062185328 178186449 /nfs/dbraw/zinc/18/64/49/178186449.db2.gz NFOHEIYMBKFQKQ-CYBMUJFWSA-N 1 2 240.350 3.620 10 0 BHAELO CCOC(=[NH2+])C1(c2ccccc2)CCCCC1 ZINC000062782994 170180069 /nfs/dbraw/zinc/18/00/69/170180069.db2.gz DUYQAVMJMMTGMG-UHFFFAOYSA-N 1 2 231.339 3.902 10 0 BHAELO CCC1(CC)CC[NH+](c2cccc(N)c2C)CC1 ZINC000062953336 132388408 /nfs/dbraw/zinc/38/84/08/132388408.db2.gz HYQYETKKZAJJSY-UHFFFAOYSA-N 1 2 246.398 3.984 10 0 BHAELO Cc1ccc(N)cc1[NH+]1CCC2(CCCC2)CC1 ZINC000062953579 132388476 /nfs/dbraw/zinc/38/84/76/132388476.db2.gz ZWOVTBUFWRCRIA-UHFFFAOYSA-N 1 2 244.382 3.738 10 0 BHAELO Cc1cc2ccccc2[nH+]c1N[C@@H](C)C1CC1 ZINC000063105728 178298677 /nfs/dbraw/zinc/29/86/77/178298677.db2.gz IGXBHNNODMOIIP-NSHDSACASA-N 1 2 226.323 3.754 10 0 BHAELO Cc1cc2ccccc2[nH+]c1N[C@H](C)C1CC1 ZINC000063105730 178298857 /nfs/dbraw/zinc/29/88/57/178298857.db2.gz IGXBHNNODMOIIP-LLVKDONJSA-N 1 2 226.323 3.754 10 0 BHAELO Cc1cc2ccccc2[nH+]c1N[C@@H]1CC1(C)C ZINC000063106099 178298701 /nfs/dbraw/zinc/29/87/01/178298701.db2.gz HPHIWRUGIFXZFQ-CYBMUJFWSA-N 1 2 226.323 3.754 10 0 BHAELO Cc1cc2ccccc2[nH+]c1N[C@H]1CC1(C)C ZINC000063106100 178298774 /nfs/dbraw/zinc/29/87/74/178298774.db2.gz HPHIWRUGIFXZFQ-ZDUSSCGKSA-N 1 2 226.323 3.754 10 0 BHAELO CCNc1[nH+]c2c(C)ccc(F)c2cc1CC ZINC000063117033 170177420 /nfs/dbraw/zinc/17/74/20/170177420.db2.gz PEEBLPYBZKHDFI-UHFFFAOYSA-N 1 2 232.302 3.677 10 0 BHAELO CNc1[nH+]c2ccc(C(C)(C)C)cc2cc1C ZINC000063117364 173488143 /nfs/dbraw/zinc/48/81/43/173488143.db2.gz SFANUDLKHDNVAH-UHFFFAOYSA-N 1 2 228.339 3.882 10 0 BHAELO CCc1cc2cc([C@@H](C)CC)ccc2[nH+]c1N ZINC000063117552 171776292 /nfs/dbraw/zinc/77/62/92/171776292.db2.gz CCTAAFWHQWELKE-JTQLQIEISA-N 1 2 228.339 3.893 10 0 BHAELO CCCOc1ccc2[nH+]c(N)c(CCC)cc2c1 ZINC000063118617 169324040 /nfs/dbraw/zinc/32/40/40/169324040.db2.gz IPOMYJJWYPDQFD-UHFFFAOYSA-N 1 2 244.338 3.558 10 0 BHAELO CCCNc1[nH+]c2c(C)cc(OC)cc2cc1C ZINC000063118651 169296152 /nfs/dbraw/zinc/29/61/52/169296152.db2.gz GTIZZAYOUWWTAO-UHFFFAOYSA-N 1 2 244.338 3.682 10 0 BHAELO CCNc1[nH+]c2c(ccc(F)c2C)cc1CC ZINC000063118800 170176648 /nfs/dbraw/zinc/17/66/48/170176648.db2.gz YQQIGYPAPPYKAE-UHFFFAOYSA-N 1 2 232.302 3.677 10 0 BHAELO CC(C)(C)Cc1[nH]c[nH+]c1-c1ccccc1 ZINC000065396488 385305566 /nfs/dbraw/zinc/30/55/66/385305566.db2.gz BKLGNICLQUEDDD-UHFFFAOYSA-N 1 2 214.312 3.665 10 0 BHAELO c1c[nH+]c(C(c2ccccc2)c2ccccc2)[nH]1 ZINC000065467308 183388043 /nfs/dbraw/zinc/38/80/43/183388043.db2.gz BLJQGZXRECZHOS-UHFFFAOYSA-N 1 2 234.302 3.590 10 0 BHAELO Nc1ccc2c(c1)[nH+]c(-c1ccccc1)n2C1CC1 ZINC000066347407 387913984 /nfs/dbraw/zinc/91/39/84/387913984.db2.gz HPYSYNJVUWLTHQ-UHFFFAOYSA-N 1 2 249.317 3.620 10 0 BHAELO CC(C)(C)c1ccc(-c2ccc[nH+]c2N)cc1 ZINC000070318427 345668574 /nfs/dbraw/zinc/66/85/74/345668574.db2.gz FHWSOKHHBFGOFY-UHFFFAOYSA-N 1 2 226.323 3.628 10 0 BHAELO CCC(CC)C[NH2+]c1ccc(O)cc1C ZINC000070735631 168366285 /nfs/dbraw/zinc/36/62/85/168366285.db2.gz MFRVFBDLLUAZKH-UHFFFAOYSA-N 1 2 207.317 3.549 10 0 BHAELO Cc1cc(O)ccc1[NH2+]CCC(C)(C)C ZINC000070735742 178200891 /nfs/dbraw/zinc/20/08/91/178200891.db2.gz HDHLRJDDJQDFAD-UHFFFAOYSA-N 1 2 207.317 3.549 10 0 BHAELO CCC[C@@H](C)C[NH2+]c1ccc(O)cc1C ZINC000070735776 169361089 /nfs/dbraw/zinc/36/10/89/169361089.db2.gz IBWMERHCOBRCKO-SNVBAGLBSA-N 1 2 207.317 3.549 10 0 BHAELO Cc1cc[nH+]cc1NC1CCCCCC1 ZINC000070957630 384143554 /nfs/dbraw/zinc/14/35/54/384143554.db2.gz WHYSDJYGMVMDCQ-UHFFFAOYSA-N 1 2 204.317 3.525 10 0 BHAELO Cc1cc[nH+]cc1N[C@@H](C)c1cccs1 ZINC000070958075 384143047 /nfs/dbraw/zinc/14/30/47/384143047.db2.gz LEQVFNUIBUWZJM-JTQLQIEISA-N 1 2 218.325 3.625 10 0 BHAELO Cc1cc[nH+]cc1N[C@H](C)c1cccs1 ZINC000070958079 384142831 /nfs/dbraw/zinc/14/28/31/384142831.db2.gz LEQVFNUIBUWZJM-SNVBAGLBSA-N 1 2 218.325 3.625 10 0 BHAELO Cc1cc[nH+]cc1N[C@@H](C)CCC(C)C ZINC000070958178 384144258 /nfs/dbraw/zinc/14/42/58/384144258.db2.gz YIEOIQZVNJAEJE-LBPRGKRZSA-N 1 2 206.333 3.627 10 0 BHAELO Cc1cc[nH+]cc1N[C@H](C)CCC(C)C ZINC000070958183 384143473 /nfs/dbraw/zinc/14/34/73/384143473.db2.gz YIEOIQZVNJAEJE-GFCCVEGCSA-N 1 2 206.333 3.627 10 0 BHAELO CC(C)(C)c1ccccc1Nc1[nH+]cccc1N ZINC000071174147 350090320 /nfs/dbraw/zinc/09/03/20/350090320.db2.gz YSDZMZIAYMXEAY-UHFFFAOYSA-N 1 2 241.338 3.705 10 0 BHAELO Cc1cc(N)ccc1[NH2+][C@@H](C)Cc1cccs1 ZINC000071270047 178107179 /nfs/dbraw/zinc/10/71/79/178107179.db2.gz DZABGTOZPPFDFN-NSHDSACASA-N 1 2 246.379 3.682 10 0 BHAELO Cc1cc(N)ccc1[NH2+][C@H](C)Cc1cccs1 ZINC000071270049 178106478 /nfs/dbraw/zinc/10/64/78/178106478.db2.gz DZABGTOZPPFDFN-LLVKDONJSA-N 1 2 246.379 3.682 10 0 BHAELO Cc1cc[nH+]cc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000071413227 359079527 /nfs/dbraw/zinc/07/95/27/359079527.db2.gz JOHJAQCXVPGGGV-WCQYABFASA-N 1 2 242.322 3.719 10 0 BHAELO Cc1cc[nH+]cc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000071413228 359079554 /nfs/dbraw/zinc/07/95/54/359079554.db2.gz JOHJAQCXVPGGGV-AAEUAGOBSA-N 1 2 242.322 3.719 10 0 BHAELO Cc1cc[nH+]cc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000071413229 359079383 /nfs/dbraw/zinc/07/93/83/359079383.db2.gz JOHJAQCXVPGGGV-DGCLKSJQSA-N 1 2 242.322 3.719 10 0 BHAELO Cc1cc[nH+]cc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000071413230 359079100 /nfs/dbraw/zinc/07/91/00/359079100.db2.gz JOHJAQCXVPGGGV-YPMHNXCESA-N 1 2 242.322 3.719 10 0 BHAELO COc1ccc([C@H](C)Nc2c[nH+]ccc2C)cc1 ZINC000071413400 175190348 /nfs/dbraw/zinc/19/03/48/175190348.db2.gz KTTSKFGVQVDSJX-LBPRGKRZSA-N 1 2 242.322 3.572 10 0 BHAELO COc1ccc([C@@H](C)Nc2c[nH+]ccc2C)cc1 ZINC000071413401 175177832 /nfs/dbraw/zinc/17/78/32/175177832.db2.gz KTTSKFGVQVDSJX-GFCCVEGCSA-N 1 2 242.322 3.572 10 0 BHAELO Cc1cc[nH+]cc1NC[C@@H](C)c1ccccc1 ZINC000071413557 397975532 /nfs/dbraw/zinc/97/55/32/397975532.db2.gz UQRKMOOVBMSUSA-CYBMUJFWSA-N 1 2 226.323 3.606 10 0 BHAELO Cc1cc[nH+]cc1NC[C@H](C)c1ccccc1 ZINC000071413558 397975538 /nfs/dbraw/zinc/97/55/38/397975538.db2.gz UQRKMOOVBMSUSA-ZDUSSCGKSA-N 1 2 226.323 3.606 10 0 BHAELO Cc1cc([C@H](C)Nc2c[nH+]ccc2C)c(C)o1 ZINC000071413611 178259714 /nfs/dbraw/zinc/25/97/14/178259714.db2.gz HDUKJZOZDWHDQK-NSHDSACASA-N 1 2 230.311 3.773 10 0 BHAELO Cc1cc([C@@H](C)Nc2c[nH+]ccc2C)c(C)o1 ZINC000071413612 178233926 /nfs/dbraw/zinc/23/39/26/178233926.db2.gz HDUKJZOZDWHDQK-LLVKDONJSA-N 1 2 230.311 3.773 10 0 BHAELO Cc1cc[nH+]cc1NC1CC(c2ccccc2)C1 ZINC000071413673 325073978 /nfs/dbraw/zinc/07/39/78/325073978.db2.gz XLSYRASWIOEJFQ-UHFFFAOYSA-N 1 2 238.334 3.748 10 0 BHAELO Cc1ccc(C)c(CNc2c[nH+]ccc2C)c1 ZINC000071413919 387123635 /nfs/dbraw/zinc/12/36/35/387123635.db2.gz KCEZLFYYYFPLJR-UHFFFAOYSA-N 1 2 226.323 3.619 10 0 BHAELO Cc1cc[nH+]cc1NCC[C@@H](C)c1ccccc1 ZINC000071413920 388891118 /nfs/dbraw/zinc/89/11/18/388891118.db2.gz XLOFRQKUTRIVLN-CYBMUJFWSA-N 1 2 240.350 3.996 10 0 BHAELO Cc1cc[nH+]cc1NCC[C@H](C)c1ccccc1 ZINC000071413921 388891101 /nfs/dbraw/zinc/89/11/01/388891101.db2.gz XLOFRQKUTRIVLN-ZDUSSCGKSA-N 1 2 240.350 3.996 10 0 BHAELO Cc1cccn2cc(-c3ccc(F)c(F)c3)[nH+]c12 ZINC000071570439 179353435 /nfs/dbraw/zinc/35/34/35/179353435.db2.gz RHKRNGGNDOMHFW-UHFFFAOYSA-N 1 2 244.244 3.588 10 0 BHAELO Cc1ccc(C)c(-c2cn3cc(C)ccc3[nH+]2)c1 ZINC000071570715 384172037 /nfs/dbraw/zinc/17/20/37/384172037.db2.gz CKMLPAHBTCSXLZ-UHFFFAOYSA-N 1 2 236.318 3.927 10 0 BHAELO c1ccc(CCCC2=[NH+]CCCS2)cc1 ZINC000071773837 343352735 /nfs/dbraw/zinc/35/27/35/343352735.db2.gz IHBWNLRQZSONBT-UHFFFAOYSA-N 1 2 219.353 3.545 10 0 BHAELO Nc1ccc2cc(C3CCCCC3)ccc2[nH+]1 ZINC000072142904 385970821 /nfs/dbraw/zinc/97/08/21/385970821.db2.gz BHVZMOQDUOPYBI-UHFFFAOYSA-N 1 2 226.323 3.865 10 0 BHAELO Cc1cc2[nH+]c(Cc3ccccc3)[nH]c2c(C)c1 ZINC000073638848 384029197 /nfs/dbraw/zinc/02/91/97/384029197.db2.gz OYOVDJVCLRNAOQ-UHFFFAOYSA-N 1 2 236.318 3.771 10 0 BHAELO C[C@H](Nc1cccc[nH+]1)c1c[nH]c2ccccc21 ZINC000073733940 176936731 /nfs/dbraw/zinc/93/67/31/176936731.db2.gz QYKSQTPJWCNONG-NSHDSACASA-N 1 2 237.306 3.736 10 0 BHAELO Cc1[nH+]c2cccc(Cl)c2n1C(C)C ZINC000076210218 180100665 /nfs/dbraw/zinc/10/06/65/180100665.db2.gz RUMMGFLVFMFIPV-UHFFFAOYSA-N 1 2 208.692 3.579 10 0 BHAELO Cc1[nH+]c2cccc(C)c2n1-c1ccccc1 ZINC000076210699 179229207 /nfs/dbraw/zinc/22/92/07/179229207.db2.gz BDRFIFZITJTSER-UHFFFAOYSA-N 1 2 222.291 3.642 10 0 BHAELO Cc1[nH+]c2ccc(C)cc2n1-c1ccccc1 ZINC000076210702 384120852 /nfs/dbraw/zinc/12/08/52/384120852.db2.gz DCBIIPCADZFYFR-UHFFFAOYSA-N 1 2 222.291 3.642 10 0 BHAELO Cc1[nH+]c2c(cccc2C)n1-c1ccccc1 ZINC000076210901 179225501 /nfs/dbraw/zinc/22/55/01/179225501.db2.gz LTNDNQPIKQHBLD-UHFFFAOYSA-N 1 2 222.291 3.642 10 0 BHAELO c1c[nH+]c(-c2ccc(Oc3ccccc3)cc2)[nH]1 ZINC000078040956 384429126 /nfs/dbraw/zinc/42/91/26/384429126.db2.gz GQMMHHKVMNTAFD-UHFFFAOYSA-N 1 2 236.274 3.869 10 0 BHAELO Cc1cc(O)ccc1[NH2+]CCCc1ccccc1 ZINC000080359315 178200327 /nfs/dbraw/zinc/20/03/27/178200327.db2.gz IDKGKMSWNSRFQN-UHFFFAOYSA-N 1 2 241.334 3.745 10 0 BHAELO Cc1cc(O)ccc1[NH2+]C[C@@H](C)c1ccccc1 ZINC000080361543 178200400 /nfs/dbraw/zinc/20/04/00/178200400.db2.gz ZPFUTQQKOUKTPZ-CYBMUJFWSA-N 1 2 241.334 3.916 10 0 BHAELO Cc1cc(O)ccc1[NH2+]C[C@H](C)c1ccccc1 ZINC000080361545 178200804 /nfs/dbraw/zinc/20/08/04/178200804.db2.gz ZPFUTQQKOUKTPZ-ZDUSSCGKSA-N 1 2 241.334 3.916 10 0 BHAELO CC(C)c1nc([C@@H](C)Nc2cccc[nH+]2)cs1 ZINC000081002886 398232655 /nfs/dbraw/zinc/23/26/55/398232655.db2.gz MWJZHZPAXPMRBL-SNVBAGLBSA-N 1 2 247.367 3.835 10 0 BHAELO CC(C)c1nc([C@H](C)Nc2cccc[nH+]2)cs1 ZINC000081002889 345459127 /nfs/dbraw/zinc/45/91/27/345459127.db2.gz MWJZHZPAXPMRBL-JTQLQIEISA-N 1 2 247.367 3.835 10 0 BHAELO CC(C)=C(c1cc(Cl)ccc1O)n1cc[nH+]c1 ZINC000082312002 188312921 /nfs/dbraw/zinc/31/29/21/188312921.db2.gz GOLWDVRQLOVXPR-UHFFFAOYSA-N 1 2 248.713 3.541 10 0 BHAELO Clc1ccc(/C=C\c2[nH]cc[nH+]2)c(Cl)c1 ZINC000083297637 644404231 /nfs/dbraw/zinc/40/42/31/644404231.db2.gz FETOXIKBUBLDHT-RQOWECAXSA-N 1 2 239.105 3.887 10 0 BHAELO Cc1cccc(C[NH2+]C2CCCCC2)c1F ZINC000083351577 179089758 /nfs/dbraw/zinc/08/97/58/179089758.db2.gz SBVPRJSYRLAFFG-UHFFFAOYSA-N 1 2 221.319 3.556 10 0 BHAELO CC(C)(C)[C@@H]1CCC[C@]([NH3+])(C(F)(F)F)CC1 ZINC000083438798 384771364 /nfs/dbraw/zinc/77/13/64/384771364.db2.gz JQLDMVFQXHBNML-MWLCHTKSSA-N 1 2 237.309 3.873 10 0 BHAELO CC(C)(C)[C@H]1CCC[C@]([NH3+])(C(F)(F)F)CC1 ZINC000083438799 259338036 /nfs/dbraw/zinc/33/80/36/259338036.db2.gz JQLDMVFQXHBNML-GXSJLCMTSA-N 1 2 237.309 3.873 10 0 BHAELO CC(C)(C)[C@@H]1CCC[C@@]([NH3+])(C(F)(F)F)CC1 ZINC000083438800 188317219 /nfs/dbraw/zinc/31/72/19/188317219.db2.gz JQLDMVFQXHBNML-KOLCDFICSA-N 1 2 237.309 3.873 10 0 BHAELO CC(C)(C)[C@H]1CCC[C@@]([NH3+])(C(F)(F)F)CC1 ZINC000083438801 384771831 /nfs/dbraw/zinc/77/18/31/384771831.db2.gz JQLDMVFQXHBNML-ONGXEEELSA-N 1 2 237.309 3.873 10 0 BHAELO CC(C)[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486141 387062006 /nfs/dbraw/zinc/06/20/06/387062006.db2.gz GIQCXCXSVKNTDQ-MRVPVSSYSA-N 1 2 232.249 3.557 10 0 BHAELO CC(C)[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486143 387061385 /nfs/dbraw/zinc/06/13/85/387061385.db2.gz GIQCXCXSVKNTDQ-QMMMGPOBSA-N 1 2 232.249 3.557 10 0 BHAELO Cc1[nH+]cccc1N[C@@H](C)c1ccsc1 ZINC000085712249 180226174 /nfs/dbraw/zinc/22/61/74/180226174.db2.gz AVMXIAWXRDLOBD-VIFPVBQESA-N 1 2 218.325 3.625 10 0 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ZINC000090733627 176022388 /nfs/dbraw/zinc/02/23/88/176022388.db2.gz UKEOYMRKZNJBTJ-CCBDSKLWSA-N 1 2 223.319 3.805 10 0 BHAELO C[C@@H](c1ccccc1)[N@@H+]1C[C@H]1c1ccccc1 ZINC000090733627 176022386 /nfs/dbraw/zinc/02/23/86/176022386.db2.gz UKEOYMRKZNJBTJ-CCBDSKLWSA-N 1 2 223.319 3.805 10 0 BHAELO COc1ccccc1[C@H](C)Nc1ccc[nH+]c1C ZINC000091495478 175351886 /nfs/dbraw/zinc/35/18/86/175351886.db2.gz CNVKQRCHQUEKOD-NSHDSACASA-N 1 2 242.322 3.572 10 0 BHAELO COc1ccccc1[C@@H](C)Nc1ccc[nH+]c1C ZINC000091495479 175346147 /nfs/dbraw/zinc/34/61/47/175346147.db2.gz CNVKQRCHQUEKOD-LLVKDONJSA-N 1 2 242.322 3.572 10 0 BHAELO COc1cccc([C@H](C)Nc2ccc[nH+]c2C)c1 ZINC000091495486 175294079 /nfs/dbraw/zinc/29/40/79/175294079.db2.gz PFDZSPNTWKSLPB-NSHDSACASA-N 1 2 242.322 3.572 10 0 BHAELO COc1cccc([C@@H](C)Nc2ccc[nH+]c2C)c1 ZINC000091495487 175287602 /nfs/dbraw/zinc/28/76/02/175287602.db2.gz PFDZSPNTWKSLPB-LLVKDONJSA-N 1 2 242.322 3.572 10 0 BHAELO COc1ccc([C@H](C)Nc2ccc[nH+]c2C)cc1 ZINC000091495607 175190164 /nfs/dbraw/zinc/19/01/64/175190164.db2.gz SIUZQNKYISPXRL-NSHDSACASA-N 1 2 242.322 3.572 10 0 BHAELO COc1ccc([C@@H](C)Nc2ccc[nH+]c2C)cc1 ZINC000091495608 175177933 /nfs/dbraw/zinc/17/79/33/175177933.db2.gz SIUZQNKYISPXRL-LLVKDONJSA-N 1 2 242.322 3.572 10 0 BHAELO Cc1cc([C@@H](C)Nc2ccc[nH+]c2C)c(C)o1 ZINC000091496033 178234984 /nfs/dbraw/zinc/23/49/84/178234984.db2.gz SWFUFVAIXRJXCW-SNVBAGLBSA-N 1 2 230.311 3.773 10 0 BHAELO Cc1cc([C@H](C)Nc2ccc[nH+]c2C)c(C)o1 ZINC000091496034 178259970 /nfs/dbraw/zinc/25/99/70/178259970.db2.gz SWFUFVAIXRJXCW-JTQLQIEISA-N 1 2 230.311 3.773 10 0 BHAELO CC(C)C1=[NH+][C@H](C(C)C)CC(OC2CC2)=C1 ZINC000095727858 187800620 /nfs/dbraw/zinc/80/06/20/187800620.db2.gz UUWTWVVZRNTCAJ-AWEZNQCLSA-N 1 2 221.344 3.575 10 0 BHAELO CC(C)=CCC[C@H](C)CCn1cc[nH+]c1 ZINC000103194671 187291836 /nfs/dbraw/zinc/29/18/36/187291836.db2.gz KFJOCXYLQAGIBJ-ZDUSSCGKSA-N 1 2 206.333 3.656 10 0 BHAELO CC=C(C)C(C)=[NH+]c1cc(O)cc(Cl)c1 ZINC000103829427 187291126 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/nfs/dbraw/zinc/07/59/02/178075902.db2.gz ZOCQPXSFCCSLRM-UHFFFAOYSA-N 1 2 244.313 3.533 10 0 BHAELO C[C@@H]1CCCC[C@@H]1Nc1cn[nH+]c2ccccc12 ZINC000104108208 176081429 /nfs/dbraw/zinc/08/14/29/176081429.db2.gz BEMVPGQPHMMBTA-YPMHNXCESA-N 1 2 241.338 3.620 10 0 BHAELO C[C@H]1CCCC[C@@H]1Nc1cn[nH+]c2ccccc12 ZINC000104108211 177083384 /nfs/dbraw/zinc/08/33/84/177083384.db2.gz BEMVPGQPHMMBTA-AAEUAGOBSA-N 1 2 241.338 3.620 10 0 BHAELO C[C@@H]1CCCC[C@H]1Nc1cn[nH+]c2ccccc12 ZINC000104108214 176089345 /nfs/dbraw/zinc/08/93/45/176089345.db2.gz BEMVPGQPHMMBTA-DGCLKSJQSA-N 1 2 241.338 3.620 10 0 BHAELO C[C@H]1CCCC[C@H]1Nc1cn[nH+]c2ccccc12 ZINC000104108217 177089475 /nfs/dbraw/zinc/08/94/75/177089475.db2.gz BEMVPGQPHMMBTA-WCQYABFASA-N 1 2 241.338 3.620 10 0 BHAELO C[NH+](C)c1ccc(Nc2cccc(Cl)n2)cc1 ZINC000104120859 188150835 /nfs/dbraw/zinc/15/08/35/188150835.db2.gz ULGJDSJYDLIMNK-UHFFFAOYSA-N 1 2 247.729 3.545 10 0 BHAELO CCNc1nc(C2CCCCC2)[nH+]c(CC)c1C ZINC000104146181 170175984 /nfs/dbraw/zinc/17/59/84/170175984.db2.gz KSUSDWFOWKNGTK-UHFFFAOYSA-N 1 2 247.386 3.827 10 0 BHAELO CCc1[nH+]c2c(F)cc(C)cc2c(NC)c1C ZINC000104162962 172008982 /nfs/dbraw/zinc/00/89/82/172008982.db2.gz TWDIPSDXWQEIJX-UHFFFAOYSA-N 1 2 232.302 3.595 10 0 BHAELO CCCNc1[nH+]c2c(cccc2CC)cc1C ZINC000104174444 169295413 /nfs/dbraw/zinc/29/54/13/169295413.db2.gz KBZZEDLPWQYPSB-UHFFFAOYSA-N 1 2 228.339 3.928 10 0 BHAELO CCCNc1[nH+]c2c(C)cc(C)cc2cc1C ZINC000104178241 169295635 /nfs/dbraw/zinc/29/56/35/169295635.db2.gz WXHMISRNSKDUOW-UHFFFAOYSA-N 1 2 228.339 3.982 10 0 BHAELO CCNc1[nH+]c2c(C)ccc(C)c2cc1CC ZINC000104181573 170176929 /nfs/dbraw/zinc/17/69/29/170176929.db2.gz HTKJWTLYDPGNSZ-UHFFFAOYSA-N 1 2 228.339 3.846 10 0 BHAELO CCCCc1ccc2[nH+]c(NC)c(C)cc2c1 ZINC000104181578 169024957 /nfs/dbraw/zinc/02/49/57/169024957.db2.gz OPPIHXPCKQZYSL-UHFFFAOYSA-N 1 2 228.339 3.928 10 0 BHAELO CCCc1cc2cccc(C)c2[nH+]c1NCC ZINC000104185348 169568957 /nfs/dbraw/zinc/56/89/57/169568957.db2.gz SHMLPJIMBLXFIK-UHFFFAOYSA-N 1 2 228.339 3.928 10 0 BHAELO CCCC[C@H](CC)c1[nH]c2cccc(N)c2[nH+]1 ZINC000104198056 169000718 /nfs/dbraw/zinc/00/07/18/169000718.db2.gz FSPVYQMCJBETNU-JTQLQIEISA-N 1 2 231.343 3.829 10 0 BHAELO CCOc1cc([NH2+][C@@H]2CCCC[C@H]2C)ccc1N ZINC000104235534 517725269 /nfs/dbraw/zinc/72/52/69/517725269.db2.gz DFZSJQWSFKTBNS-BXUZGUMPSA-N 1 2 248.370 3.658 10 0 BHAELO CCOc1cc([NH2+][C@@H](C)CC(C)C)ccc1N ZINC000104249185 170526329 /nfs/dbraw/zinc/52/63/29/170526329.db2.gz ICRAZTIZGPJTIU-NSHDSACASA-N 1 2 236.359 3.514 10 0 BHAELO COc1ccc([NH2+]CCc2cccs2)cc1C ZINC000104283339 175150930 /nfs/dbraw/zinc/15/09/30/175150930.db2.gz KSHSQMONAUNCFJ-UHFFFAOYSA-N 1 2 247.363 3.720 10 0 BHAELO CC[C@@H]1CCCC[C@H]1[N@@H+](C)c1cccc(N)c1 ZINC000104384332 170970461 /nfs/dbraw/zinc/97/04/61/170970461.db2.gz JKTHNPHHVSMDJP-IUODEOHRSA-N 1 2 232.371 3.674 10 0 BHAELO CC[C@@H]1CCCC[C@H]1[N@H+](C)c1cccc(N)c1 ZINC000104384332 170970460 /nfs/dbraw/zinc/97/04/60/170970460.db2.gz JKTHNPHHVSMDJP-IUODEOHRSA-N 1 2 232.371 3.674 10 0 BHAELO CCC(CC)[C@@H](C)Nc1cn[nH+]c2ccccc12 ZINC000104440876 168399548 /nfs/dbraw/zinc/39/95/48/168399548.db2.gz GLKIUEBFLGUVJK-LLVKDONJSA-N 1 2 243.354 3.866 10 0 BHAELO Cc1cc(NCC2(C)CCCC2)nc(C(C)C)[nH+]1 ZINC000104448596 178157069 /nfs/dbraw/zinc/15/70/69/178157069.db2.gz OIGTZWOJBYPRMX-UHFFFAOYSA-N 1 2 247.386 3.901 10 0 BHAELO Cc1c(-c2ccc(C)cc2)[nH+]c2ccc(C)cn12 ZINC000105737285 178337362 /nfs/dbraw/zinc/33/73/62/178337362.db2.gz UMNWWADASVPBFE-UHFFFAOYSA-N 1 2 236.318 3.927 10 0 BHAELO CCn1cc[nH+]c1CSCc1ccccc1C ZINC000106587000 172226493 /nfs/dbraw/zinc/22/64/93/172226493.db2.gz JNRBHMHUTJVIEG-UHFFFAOYSA-N 1 2 246.379 3.645 10 0 BHAELO CCn1cc[nH+]c1CSc1ccccc1C ZINC000106588356 172225923 /nfs/dbraw/zinc/22/59/23/172225923.db2.gz ZUXIWCKXTATXRF-UHFFFAOYSA-N 1 2 232.352 3.504 10 0 BHAELO CCn1cc[nH+]c1CSc1cccc(C)c1 ZINC000106588393 172226000 /nfs/dbraw/zinc/22/60/00/172226000.db2.gz PAKDZBCVJUBLKU-UHFFFAOYSA-N 1 2 232.352 3.504 10 0 BHAELO CC(C)n1cc[nH+]c1CSCc1ccccc1 ZINC000107077355 384949065 /nfs/dbraw/zinc/94/90/65/384949065.db2.gz WDCLKHUEYBSVOQ-UHFFFAOYSA-N 1 2 246.379 3.897 10 0 BHAELO CCCNc1nc(CCC(C)C)[nH+]c(C)c1CC ZINC000110464382 169295775 /nfs/dbraw/zinc/29/57/75/169295775.db2.gz YDCUARTXGXOWKO-UHFFFAOYSA-N 1 2 249.402 3.758 10 0 BHAELO COc1cc([NH2+]CC2CCC(C)CC2)ccc1N ZINC000111056336 588718618 /nfs/dbraw/zinc/71/86/18/588718618.db2.gz QZOMZFNSZZZQCW-UHFFFAOYSA-N 1 2 248.370 3.516 10 0 BHAELO Cc1cc[nH+]cc1NCc1ccnc2ccccc12 ZINC000111754042 323163393 /nfs/dbraw/zinc/16/33/93/323163393.db2.gz KYUDOOWVQIDNIL-UHFFFAOYSA-N 1 2 249.317 3.550 10 0 BHAELO [NH2+]=C(Nc1cccc(Cl)c1)c1ccccc1F ZINC000116182933 342922416 /nfs/dbraw/zinc/92/24/16/342922416.db2.gz JVOSYUGJMQPZGD-UHFFFAOYSA-N 1 2 248.688 3.917 10 0 BHAELO CC(C)n1cc[nH+]c1CSc1cccs1 ZINC000117109765 384162997 /nfs/dbraw/zinc/16/29/97/384162997.db2.gz IFVXNZJYHCMHAU-UHFFFAOYSA-N 1 2 238.381 3.818 10 0 BHAELO c1[nH]cc(Cc2ccccc2-c2ccccc2)[nH+]1 ZINC000118036625 343036849 /nfs/dbraw/zinc/03/68/49/343036849.db2.gz QNPJNJBCDOOQPX-UHFFFAOYSA-N 1 2 234.302 3.668 10 0 BHAELO Cc1cc(NCCC2CCC2)nc(C(C)C)[nH+]1 ZINC000122968702 178158659 /nfs/dbraw/zinc/15/86/59/178158659.db2.gz GAAOHTAIVZXEDN-UHFFFAOYSA-N 1 2 233.359 3.511 10 0 BHAELO C/C=C/CCNc1ccc2ccccc2[nH+]1 ZINC000123771864 386570652 /nfs/dbraw/zinc/57/06/52/386570652.db2.gz DRARRVZIVJOYRI-NSCUHMNNSA-N 1 2 212.296 3.613 10 0 BHAELO Cc1cccc(C)c1NCc1[nH+]ccn1C(C)C ZINC000123783173 179043781 /nfs/dbraw/zinc/04/37/81/179043781.db2.gz KBWAJMUIZLUKGA-UHFFFAOYSA-N 1 2 243.354 3.693 10 0 BHAELO CC[C@@H](C)CSCc1[nH+]ccn1C(C)C ZINC000123882882 170714117 /nfs/dbraw/zinc/71/41/17/170714117.db2.gz CCBNFYQARAMOAN-LLVKDONJSA-N 1 2 226.389 3.743 10 0 BHAELO CC[C@H](C)CSCc1[nH+]ccn1C(C)C ZINC000123883167 171293225 /nfs/dbraw/zinc/29/32/25/171293225.db2.gz CCBNFYQARAMOAN-NSHDSACASA-N 1 2 226.389 3.743 10 0 BHAELO Cc1occc1SCc1[nH+]ccn1C(C)C ZINC000131432088 385335195 /nfs/dbraw/zinc/33/51/95/385335195.db2.gz LABSJXDZXBGNME-UHFFFAOYSA-N 1 2 236.340 3.658 10 0 BHAELO CCC(CC)SCc1[nH+]ccn1C(C)C ZINC000131708846 385355872 /nfs/dbraw/zinc/35/58/72/385355872.db2.gz BIKBPMUPRHPJMI-UHFFFAOYSA-N 1 2 226.389 3.886 10 0 BHAELO Cc1c[nH]c(-c2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000133288705 372016749 /nfs/dbraw/zinc/01/67/49/372016749.db2.gz UYXZASPPBTYARF-UHFFFAOYSA-N 1 2 227.094 3.692 10 0 BHAELO Nc1ccc(-c2ccc(C3CCC3)cc2)c[nH+]1 ZINC000133381076 411733256 /nfs/dbraw/zinc/73/32/56/411733256.db2.gz DNJBNVCOGPGORV-UHFFFAOYSA-N 1 2 224.307 3.598 10 0 BHAELO Nc1[nH+]cccc1-c1ccc(C2CCC2)cc1 ZINC000133390981 411736293 /nfs/dbraw/zinc/73/62/93/411736293.db2.gz CIXQMNIWVJMWKJ-UHFFFAOYSA-N 1 2 224.307 3.598 10 0 BHAELO Cc1cccc([C@@H](C)Nc2cccc[nH+]2)c1 ZINC000134137280 358780751 /nfs/dbraw/zinc/78/07/51/358780751.db2.gz RHQYCVFMJYWSJZ-GFCCVEGCSA-N 1 2 212.296 3.563 10 0 BHAELO Cc1cccc([C@H](C)Nc2cccc[nH+]2)c1 ZINC000134137507 358780927 /nfs/dbraw/zinc/78/09/27/358780927.db2.gz RHQYCVFMJYWSJZ-LBPRGKRZSA-N 1 2 212.296 3.563 10 0 BHAELO Cc1cc[nH+]cc1N[C@@H](C)CSC(C)(C)C ZINC000134338177 591920204 /nfs/dbraw/zinc/92/02/04/591920204.db2.gz PZBLFRSDBUKLDD-NSHDSACASA-N 1 2 238.400 3.722 10 0 BHAELO Cc1cc[nH+]cc1N[C@H](C)CSC(C)(C)C ZINC000134338202 591919672 /nfs/dbraw/zinc/91/96/72/591919672.db2.gz PZBLFRSDBUKLDD-LLVKDONJSA-N 1 2 238.400 3.722 10 0 BHAELO CC(C)=CCC[C@H](C)Nc1c[nH+]ccc1C ZINC000134338538 325354473 /nfs/dbraw/zinc/35/44/73/325354473.db2.gz CBRAZVSMVTYION-ZDUSSCGKSA-N 1 2 218.344 3.937 10 0 BHAELO CC(C)=CCC[C@@H](C)Nc1c[nH+]ccc1C ZINC000134338560 325354401 /nfs/dbraw/zinc/35/44/01/325354401.db2.gz CBRAZVSMVTYION-CYBMUJFWSA-N 1 2 218.344 3.937 10 0 BHAELO CC[C@@H](C)[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000134616441 323025021 /nfs/dbraw/zinc/02/50/21/323025021.db2.gz XSUKHPHVADFWEY-BDAKNGLRSA-N 1 2 225.298 3.742 10 0 BHAELO CC[C@H](C)[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000134616462 325367846 /nfs/dbraw/zinc/36/78/46/325367846.db2.gz XSUKHPHVADFWEY-IUCAKERBSA-N 1 2 225.298 3.742 10 0 BHAELO CC[C@@H](C)[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000134616483 325367813 /nfs/dbraw/zinc/36/78/13/325367813.db2.gz XSUKHPHVADFWEY-RKDXNWHRSA-N 1 2 225.298 3.742 10 0 BHAELO CC[C@H](C)[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000134616505 325367833 /nfs/dbraw/zinc/36/78/33/325367833.db2.gz XSUKHPHVADFWEY-DTWKUNHWSA-N 1 2 225.298 3.742 10 0 BHAELO Cc1cc(CNc2cccc[nH+]2)ccc1Cl ZINC000134650950 178044610 /nfs/dbraw/zinc/04/46/10/178044610.db2.gz NBUNVFGFEJSURO-UHFFFAOYSA-N 1 2 232.714 3.656 10 0 BHAELO C(NC1CCCCC1)=C1C=[NH+]c2ccccc21 ZINC000136856737 200706252 /nfs/dbraw/zinc/70/62/52/200706252.db2.gz MNQCGLAMLFZYLS-BENRWUELSA-N 1 2 226.323 3.666 10 0 BHAELO Nc1[nH+]c2ccccc2c2cc(Cl)ccc12 ZINC000138092325 342754488 /nfs/dbraw/zinc/75/44/88/342754488.db2.gz ICUCMJQHTPTNMX-UHFFFAOYSA-N 1 2 228.682 3.624 10 0 BHAELO CCCC[C@@H]1CCc2cc(OC)ccc2[NH2+]1 ZINC000138449260 342866336 /nfs/dbraw/zinc/86/63/36/342866336.db2.gz WQTAMCZUWZDXDA-GFCCVEGCSA-N 1 2 219.328 3.612 10 0 BHAELO CCCC[C@H]1CCc2cc(OC)ccc2[NH2+]1 ZINC000138449371 342866219 /nfs/dbraw/zinc/86/62/19/342866219.db2.gz WQTAMCZUWZDXDA-LBPRGKRZSA-N 1 2 219.328 3.612 10 0 BHAELO Cc1cc(OC2CCCC2)c2cccc(O)c2[nH+]1 ZINC000138661315 342985361 /nfs/dbraw/zinc/98/53/61/342985361.db2.gz FSZSWMIHAOSEMS-UHFFFAOYSA-N 1 2 243.306 3.570 10 0 BHAELO CCOC(=[NH2+])C1(c2ccc(Cl)cc2)CCC1 ZINC000144239856 362014311 /nfs/dbraw/zinc/01/43/11/362014311.db2.gz RKGMXKZCSABCPT-UHFFFAOYSA-N 1 2 237.730 3.775 10 0 BHAELO C[C@H](Oc1cc[nH+]cc1C1CCC1)C(F)(F)F ZINC000146534518 342769699 /nfs/dbraw/zinc/76/96/99/342769699.db2.gz LYWGJGKJBGGHIP-QMMMGPOBSA-N 1 2 245.244 3.679 10 0 BHAELO Cc1ccc(NCc2ccnc3ccccc23)c[nH+]1 ZINC000149818217 385056981 /nfs/dbraw/zinc/05/69/81/385056981.db2.gz AOLJITINVBAGCG-UHFFFAOYSA-N 1 2 249.317 3.550 10 0 BHAELO Cc1cc[nH+]cc1N[C@@H](C)Cc1ccccc1F ZINC000157553431 387837521 /nfs/dbraw/zinc/83/75/21/387837521.db2.gz AKHVTFCYMBWDGW-LBPRGKRZSA-N 1 2 244.313 3.572 10 0 BHAELO Cc1cc[nH+]cc1N[C@H](C)Cc1ccccc1F ZINC000157553566 387837613 /nfs/dbraw/zinc/83/76/13/387837613.db2.gz AKHVTFCYMBWDGW-GFCCVEGCSA-N 1 2 244.313 3.572 10 0 BHAELO Cc1cc[nH+]cc1N[C@@H](C)CCCC(F)(F)F ZINC000163426000 388287669 /nfs/dbraw/zinc/28/76/69/388287669.db2.gz SHAWGFAUQZFBIP-JTQLQIEISA-N 1 2 246.276 3.923 10 0 BHAELO Cc1cc[nH+]cc1N[C@H](C)CCCC(F)(F)F ZINC000163426101 388287850 /nfs/dbraw/zinc/28/78/50/388287850.db2.gz SHAWGFAUQZFBIP-SNVBAGLBSA-N 1 2 246.276 3.923 10 0 BHAELO CC(C)CCCNc1ccc([NH+](C)C)cc1 ZINC000165203607 633087648 /nfs/dbraw/zinc/08/76/48/633087648.db2.gz LRPBPHHBBVSPOH-UHFFFAOYSA-N 1 2 220.360 3.601 10 0 BHAELO CC(C)CCC[NH2+]c1ccc(N(C)C)cc1 ZINC000165203607 633087640 /nfs/dbraw/zinc/08/76/40/633087640.db2.gz LRPBPHHBBVSPOH-UHFFFAOYSA-N 1 2 220.360 3.601 10 0 BHAELO Cc1[nH+]ccc2c(-c3ccccc3)c[nH]c21 ZINC000167784604 180208921 /nfs/dbraw/zinc/20/89/21/180208921.db2.gz NDOACTOTTZCASQ-UHFFFAOYSA-N 1 2 208.264 3.538 10 0 BHAELO COc1ccc[nH+]c1N[C@H](C)c1ccccc1C ZINC000169141619 538947020 /nfs/dbraw/zinc/94/70/20/538947020.db2.gz BCBAOYKHCNVQPW-GFCCVEGCSA-N 1 2 242.322 3.572 10 0 BHAELO COc1ccc[nH+]c1N[C@@H](C)c1ccccc1C ZINC000169141692 538947098 /nfs/dbraw/zinc/94/70/98/538947098.db2.gz BCBAOYKHCNVQPW-LBPRGKRZSA-N 1 2 242.322 3.572 10 0 BHAELO CC[N@@H+]1c2ccccc2CC[C@H]1C(C)(C)C ZINC000169218781 359800463 /nfs/dbraw/zinc/80/04/63/359800463.db2.gz PHRLPSDMTXUMNT-AWEZNQCLSA-N 1 2 217.356 3.874 10 0 BHAELO CC[N@H+]1c2ccccc2CC[C@H]1C(C)(C)C ZINC000169218781 359800461 /nfs/dbraw/zinc/80/04/61/359800461.db2.gz PHRLPSDMTXUMNT-AWEZNQCLSA-N 1 2 217.356 3.874 10 0 BHAELO CC[N@@H+]1c2ccccc2CC[C@@H]1C(C)(C)C ZINC000169218864 346755981 /nfs/dbraw/zinc/75/59/81/346755981.db2.gz PHRLPSDMTXUMNT-CQSZACIVSA-N 1 2 217.356 3.874 10 0 BHAELO CC[N@H+]1c2ccccc2CC[C@@H]1C(C)(C)C ZINC000169218864 346755980 /nfs/dbraw/zinc/75/59/80/346755980.db2.gz PHRLPSDMTXUMNT-CQSZACIVSA-N 1 2 217.356 3.874 10 0 BHAELO CC(C)(C)P(n1cc[nH+]c1)C(C)(C)C ZINC000169649203 410520034 /nfs/dbraw/zinc/52/00/34/410520034.db2.gz LKIHMCYSYKCLMK-UHFFFAOYSA-N 1 2 212.277 3.725 10 0 BHAELO CCn1cc[nH+]c1CSc1ccc(C)cc1 ZINC000171351479 365192151 /nfs/dbraw/zinc/19/21/51/365192151.db2.gz WYGOFFOMGDVWOU-UHFFFAOYSA-N 1 2 232.352 3.504 10 0 BHAELO CC(C)n1cc[nH+]c1CSC1CCCC1 ZINC000171677343 167776566 /nfs/dbraw/zinc/77/65/66/167776566.db2.gz DWOJMOSKRNHMAZ-UHFFFAOYSA-N 1 2 224.373 3.640 10 0 BHAELO CCn1cc[nH+]c1CSCC1CCCCC1 ZINC000171753340 134260865 /nfs/dbraw/zinc/26/08/65/134260865.db2.gz ZGXDRROIUSRIFL-UHFFFAOYSA-N 1 2 238.400 3.717 10 0 BHAELO CC(C)[C@@H](C)SCc1[nH+]ccn1C(C)C ZINC000172971703 167387337 /nfs/dbraw/zinc/38/73/37/167387337.db2.gz JUXJPEGHSMSPDS-LLVKDONJSA-N 1 2 226.389 3.742 10 0 BHAELO CC(C)[C@H](C)SCc1[nH+]ccn1C(C)C ZINC000172971711 188339938 /nfs/dbraw/zinc/33/99/38/188339938.db2.gz JUXJPEGHSMSPDS-NSHDSACASA-N 1 2 226.389 3.742 10 0 BHAELO CCn1cc[nH+]c1CSCc1ccc(C)cc1 ZINC000175272293 384420353 /nfs/dbraw/zinc/42/03/53/384420353.db2.gz ZRKJPDNCNZBPOB-UHFFFAOYSA-N 1 2 246.379 3.645 10 0 BHAELO CCn1cc[nH+]c1CSCc1cccc(C)c1 ZINC000175275095 205570612 /nfs/dbraw/zinc/57/06/12/205570612.db2.gz FKPSKEDWVAOHAQ-UHFFFAOYSA-N 1 2 246.379 3.645 10 0 BHAELO CCn1cc[nH+]c1CS[C@@H](C)c1ccccc1 ZINC000175275295 384420453 /nfs/dbraw/zinc/42/04/53/384420453.db2.gz VRCLNZKVNQBBEK-LBPRGKRZSA-N 1 2 246.379 3.897 10 0 BHAELO CCn1cc[nH+]c1CS[C@H](C)c1ccccc1 ZINC000175275316 384419957 /nfs/dbraw/zinc/41/99/57/384419957.db2.gz VRCLNZKVNQBBEK-GFCCVEGCSA-N 1 2 246.379 3.897 10 0 BHAELO CC(C)CCSCc1[nH+]ccn1C(C)C ZINC000175290104 388428688 /nfs/dbraw/zinc/42/86/88/388428688.db2.gz OCCINDSMNLBCBW-UHFFFAOYSA-N 1 2 226.389 3.743 10 0 BHAELO CCCCCSCc1[nH+]ccn1C(C)C ZINC000175299305 365542096 /nfs/dbraw/zinc/54/20/96/365542096.db2.gz NBNPFHKPLMPBFA-UHFFFAOYSA-N 1 2 226.389 3.887 10 0 BHAELO CCn1cc[nH+]c1CSCCCC(C)C ZINC000180094286 366374664 /nfs/dbraw/zinc/37/46/64/366374664.db2.gz IPBHBLIVZMUKHW-UHFFFAOYSA-N 1 2 226.389 3.572 10 0 BHAELO CC(C)n1cc[nH+]c1CSCC1CCCC1 ZINC000182357400 366890864 /nfs/dbraw/zinc/89/08/64/366890864.db2.gz SQFNDWBBUBGNQH-UHFFFAOYSA-N 1 2 238.400 3.887 10 0 BHAELO Cc1cccc(F)c1NCc1[nH+]ccn1C(C)C ZINC000182751390 538964296 /nfs/dbraw/zinc/96/42/96/538964296.db2.gz JMZJULUZGGGCFG-UHFFFAOYSA-N 1 2 247.317 3.524 10 0 BHAELO CCn1cc[nH+]c1CSCCC(C)(C)C ZINC000187506725 386557803 /nfs/dbraw/zinc/55/78/03/386557803.db2.gz IQMRPMKFXQCNLK-UHFFFAOYSA-N 1 2 226.389 3.572 10 0 BHAELO CC(C)n1cc[nH+]c1CSc1ccccc1 ZINC000195516693 387922239 /nfs/dbraw/zinc/92/22/39/387922239.db2.gz MBORWDKPEUGTJP-UHFFFAOYSA-N 1 2 232.352 3.756 10 0 BHAELO Brc1cccc(Nc2cccc[nH+]2)c1 ZINC000196172750 166101454 /nfs/dbraw/zinc/10/14/54/166101454.db2.gz BEXIYCBVMXFMJT-UHFFFAOYSA-N 1 2 249.111 3.588 10 0 BHAELO CC1(C)Nc2ccccc2[C@H](c2ccccc2)[NH2+]1 ZINC000196209165 398234170 /nfs/dbraw/zinc/23/41/70/398234170.db2.gz OCTCRMZQQJGLFE-HNNXBMFYSA-N 1 2 238.334 3.527 10 0 BHAELO CC1(C)Nc2ccccc2[C@@H](c2ccccc2)[NH2+]1 ZINC000196209172 398234187 /nfs/dbraw/zinc/23/41/87/398234187.db2.gz OCTCRMZQQJGLFE-OAHLLOKOSA-N 1 2 238.334 3.527 10 0 BHAELO CCn1c(C)[nH+]c2cc3ccccc3cc21 ZINC000196233530 347489975 /nfs/dbraw/zinc/48/99/75/347489975.db2.gz NEJBVLKPEBCKII-UHFFFAOYSA-N 1 2 210.280 3.518 10 0 BHAELO Cc1cc(-c2ccc(Cl)cc2)c(CO)c(C)[nH+]1 ZINC000196765765 397969507 /nfs/dbraw/zinc/96/95/07/397969507.db2.gz MAJLZHONRUYAOD-UHFFFAOYSA-N 1 2 247.725 3.511 10 0 BHAELO Cc1[nH+]c2ccc(C)cc2n1-c1ccccc1C ZINC000197938234 411291995 /nfs/dbraw/zinc/29/19/95/411291995.db2.gz ZHUAVSZIMXYCLZ-UHFFFAOYSA-N 1 2 236.318 3.951 10 0 BHAELO CC(C)c1ccc(Oc2cc[nH+]cc2)cc1 ZINC000200885240 343318720 /nfs/dbraw/zinc/31/87/20/343318720.db2.gz JGCFJXVDHSAWRN-UHFFFAOYSA-N 1 2 213.280 3.997 10 0 BHAELO C(=C\c1cn2ccccc2[nH+]1)\Cc1ccccc1 ZINC000215593661 533355267 /nfs/dbraw/zinc/35/52/67/533355267.db2.gz VZOMCIJNFUKGFD-POHAHGRESA-N 1 2 234.302 3.590 10 0 BHAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)o1 ZINC000220889529 134313197 /nfs/dbraw/zinc/31/31/97/134313197.db2.gz OKIWOPUCKSUJTO-WDEREUQCSA-N 1 2 248.301 3.534 10 0 BHAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)o1 ZINC000220889595 134313377 /nfs/dbraw/zinc/31/33/77/134313377.db2.gz OKIWOPUCKSUJTO-QWRGUYRKSA-N 1 2 248.301 3.534 10 0 BHAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)o1 ZINC000220889654 134313085 /nfs/dbraw/zinc/31/30/85/134313085.db2.gz OKIWOPUCKSUJTO-GHMZBOCLSA-N 1 2 248.301 3.534 10 0 BHAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)o1 ZINC000220889713 134313275 /nfs/dbraw/zinc/31/32/75/134313275.db2.gz OKIWOPUCKSUJTO-MNOVXSKESA-N 1 2 248.301 3.534 10 0 BHAELO c1[nH]c([C@@H]2CCC3=C(CCCC3)C2)c[nH+]1 ZINC000225953234 385634409 /nfs/dbraw/zinc/63/44/09/385634409.db2.gz RENZYFGLZBOESU-GFCCVEGCSA-N 1 2 202.301 3.548 10 0 BHAELO c1[nH]cc([C@@H]2CCC3=C(CCCC3)C2)[nH+]1 ZINC000225953234 385634404 /nfs/dbraw/zinc/63/44/04/385634404.db2.gz RENZYFGLZBOESU-GFCCVEGCSA-N 1 2 202.301 3.548 10 0 BHAELO c1[nH]c([C@H]2CCC3=C(CCCC3)C2)c[nH+]1 ZINC000225953245 385634803 /nfs/dbraw/zinc/63/48/03/385634803.db2.gz RENZYFGLZBOESU-LBPRGKRZSA-N 1 2 202.301 3.548 10 0 BHAELO c1[nH]cc([C@H]2CCC3=C(CCCC3)C2)[nH+]1 ZINC000225953245 385634800 /nfs/dbraw/zinc/63/48/00/385634800.db2.gz RENZYFGLZBOESU-LBPRGKRZSA-N 1 2 202.301 3.548 10 0 BHAELO CC1CC[NH+](c2ccccc2-n2cccc2)CC1 ZINC000226245436 132291451 /nfs/dbraw/zinc/29/14/51/132291451.db2.gz DZNWAEKGBVTIHT-UHFFFAOYSA-N 1 2 240.350 3.714 10 0 BHAELO C[C@@H]1CCCc2[nH+]c3cccc(Cl)c3n21 ZINC000226251589 176153358 /nfs/dbraw/zinc/15/33/58/176153358.db2.gz APGFKGOARGDLGT-MRVPVSSYSA-N 1 2 220.703 3.587 10 0 BHAELO C[C@H]1CCCc2[nH+]c3cccc(Cl)c3n21 ZINC000226251595 177145342 /nfs/dbraw/zinc/14/53/42/177145342.db2.gz APGFKGOARGDLGT-QMMMGPOBSA-N 1 2 220.703 3.587 10 0 BHAELO C[NH2+]c1ccc(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000226275565 132291273 /nfs/dbraw/zinc/29/12/73/132291273.db2.gz XIAFLGZTSGGEFH-JTQLQIEISA-N 1 2 238.762 3.761 10 0 BHAELO C[NH2+]c1ccc(N2CCCC[C@H]2C)c(Cl)c1 ZINC000226275573 132291564 /nfs/dbraw/zinc/29/15/64/132291564.db2.gz XIAFLGZTSGGEFH-SNVBAGLBSA-N 1 2 238.762 3.761 10 0 BHAELO C[NH2+]c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000226275589 132291646 /nfs/dbraw/zinc/29/16/46/132291646.db2.gz LBTFWOQKOYERAU-UHFFFAOYSA-N 1 2 238.762 3.618 10 0 BHAELO CC[NH2+]c1ccc(N2CCCCC2)c(Cl)c1 ZINC000226285008 387343295 /nfs/dbraw/zinc/34/32/95/387343295.db2.gz VLOJIDSXYURHPX-UHFFFAOYSA-N 1 2 238.762 3.762 10 0 BHAELO CCC[C@@H]1C[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000226804805 385055589 /nfs/dbraw/zinc/05/55/89/385055589.db2.gz HTQXEOKWMJBSOD-SCZZXKLOSA-N 1 2 244.260 3.701 10 0 BHAELO CCC[C@H]1C[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000226804811 385055139 /nfs/dbraw/zinc/05/51/39/385055139.db2.gz HTQXEOKWMJBSOD-WPRPVWTQSA-N 1 2 244.260 3.701 10 0 BHAELO CCC[C@@H]1C[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000226804816 385056346 /nfs/dbraw/zinc/05/63/46/385056346.db2.gz HTQXEOKWMJBSOD-PSASIEDQSA-N 1 2 244.260 3.701 10 0 BHAELO CCC[C@H]1C[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000226804823 385054883 /nfs/dbraw/zinc/05/48/83/385054883.db2.gz HTQXEOKWMJBSOD-WCBMZHEXSA-N 1 2 244.260 3.701 10 0 BHAELO CC[C@@H](C)c1cn2cc(Cl)ccc2[nH+]1 ZINC000228011615 371975718 /nfs/dbraw/zinc/97/57/18/371975718.db2.gz ZMZVHJPEAOKCQG-MRVPVSSYSA-N 1 2 208.692 3.501 10 0 BHAELO CC[C@H](C)c1cn2cc(Cl)ccc2[nH+]1 ZINC000228011626 371975820 /nfs/dbraw/zinc/97/58/20/371975820.db2.gz ZMZVHJPEAOKCQG-QMMMGPOBSA-N 1 2 208.692 3.501 10 0 BHAELO CCc1[nH+]c2c(Cl)cc(Cl)cn2c1C ZINC000228015252 371976112 /nfs/dbraw/zinc/97/61/12/371976112.db2.gz GFXXYHQOZQLPCJ-UHFFFAOYSA-N 1 2 229.110 3.512 10 0 BHAELO CCc1c(C)[nH+]c2c(Cl)cc(Cl)cn12 ZINC000228015324 371975865 /nfs/dbraw/zinc/97/58/65/371975865.db2.gz OGWYGZRJYQNEDP-UHFFFAOYSA-N 1 2 229.110 3.512 10 0 BHAELO c1ccc2[nH+]c(NCC3(C4CC4)CC3)ccc2c1 ZINC000228665019 384303386 /nfs/dbraw/zinc/30/33/86/384303386.db2.gz DGTLDEXMOVAFDL-UHFFFAOYSA-N 1 2 238.334 3.837 10 0 BHAELO Cc1c[nH]c(-c2cc(Cl)cc(Cl)c2)[nH+]1 ZINC000228840630 351420121 /nfs/dbraw/zinc/42/01/21/351420121.db2.gz YWCHCQUCNJHXIV-UHFFFAOYSA-N 1 2 227.094 3.692 10 0 BHAELO Nc1[nH+]cccc1-c1cccc(C2CCC2)c1 ZINC000229614470 487930311 /nfs/dbraw/zinc/93/03/11/487930311.db2.gz FENMXDUIHBBDGA-UHFFFAOYSA-N 1 2 224.307 3.598 10 0 BHAELO Nc1ccc(-c2cccc(C3CCC3)c2)c[nH+]1 ZINC000229614525 487930434 /nfs/dbraw/zinc/93/04/34/487930434.db2.gz OWHFMFLPXHGRIK-UHFFFAOYSA-N 1 2 224.307 3.598 10 0 BHAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000230647081 357544183 /nfs/dbraw/zinc/54/41/83/357544183.db2.gz SVBLGZODBZFJKG-QWHCGFSZSA-N 1 2 244.338 3.703 10 0 BHAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000230647086 357543969 /nfs/dbraw/zinc/54/39/69/357543969.db2.gz SVBLGZODBZFJKG-STQMWFEESA-N 1 2 244.338 3.703 10 0 BHAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000230647091 357544752 /nfs/dbraw/zinc/54/47/52/357544752.db2.gz SVBLGZODBZFJKG-CHWSQXEVSA-N 1 2 244.338 3.703 10 0 BHAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000230647098 357544780 /nfs/dbraw/zinc/54/47/80/357544780.db2.gz SVBLGZODBZFJKG-OLZOCXBDSA-N 1 2 244.338 3.703 10 0 BHAELO CCc1[nH+]c(C)ccc1Oc1ccnc(Cl)c1 ZINC000232201336 386744795 /nfs/dbraw/zinc/74/47/95/386744795.db2.gz YABSIOWOJJSLHB-UHFFFAOYSA-N 1 2 248.713 3.793 10 0 BHAELO CC(C)CC[NH2+]c1ccc(O)c(Cl)c1 ZINC000232390729 352649632 /nfs/dbraw/zinc/64/96/32/352649632.db2.gz GDTIISCTNCFTNQ-UHFFFAOYSA-N 1 2 213.708 3.504 10 0 BHAELO CC(C)C1CC(Nc2ccc([NH+](C)C)cc2)C1 ZINC000232541209 711760784 /nfs/dbraw/zinc/76/07/84/711760784.db2.gz ITQXZGDAPNAWAQ-UHFFFAOYSA-N 1 2 232.371 3.599 10 0 BHAELO CC(C)C1CC([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000232541209 711760782 /nfs/dbraw/zinc/76/07/82/711760782.db2.gz ITQXZGDAPNAWAQ-UHFFFAOYSA-N 1 2 232.371 3.599 10 0 BHAELO Clc1ccc(Cl)c([C@@H]2[NH2+]CCCS2)c1 ZINC000236060708 346187138 /nfs/dbraw/zinc/18/71/38/346187138.db2.gz ZDABRLFEHRHNKA-SNVBAGLBSA-N 1 2 248.178 3.719 10 0 BHAELO Clc1ccc(Cl)c([C@H]2[NH2+]CCCS2)c1 ZINC000236061350 346187153 /nfs/dbraw/zinc/18/71/53/346187153.db2.gz ZDABRLFEHRHNKA-JTQLQIEISA-N 1 2 248.178 3.719 10 0 BHAELO [NH3+][C@@H](c1ccc(Cl)o1)c1sccc1Cl ZINC000236302161 346225109 /nfs/dbraw/zinc/22/51/09/346225109.db2.gz RZVLJEPQUIAANP-QMMMGPOBSA-N 1 2 248.134 3.696 10 0 BHAELO [NH3+][C@H](c1ccc(Cl)o1)c1sccc1Cl ZINC000236317799 346224769 /nfs/dbraw/zinc/22/47/69/346224769.db2.gz RZVLJEPQUIAANP-MRVPVSSYSA-N 1 2 248.134 3.696 10 0 BHAELO CC(C)(C)[C@@H]([NH3+])c1cc(Cl)c(O)c(Cl)c1 ZINC000238136071 642788224 /nfs/dbraw/zinc/78/82/24/642788224.db2.gz GDFYHRDZTMTTNQ-JTQLQIEISA-N 1 2 248.153 3.745 10 0 BHAELO CC(C)(C)[C@H]([NH3+])c1cc(Cl)c(O)c(Cl)c1 ZINC000238171979 642792068 /nfs/dbraw/zinc/79/20/68/642792068.db2.gz GDFYHRDZTMTTNQ-SNVBAGLBSA-N 1 2 248.153 3.745 10 0 BHAELO Cc1cc(N[C@H](C)CCC2CCCC2)nc[nH+]1 ZINC000301363382 178186319 /nfs/dbraw/zinc/18/63/19/178186319.db2.gz PXGPZBLFJXBEHL-LLVKDONJSA-N 1 2 233.359 3.556 10 0 BHAELO Cc1cc(N[C@@H](C)CCC2CCCC2)nc[nH+]1 ZINC000301363383 386837952 /nfs/dbraw/zinc/83/79/52/386837952.db2.gz PXGPZBLFJXBEHL-NSHDSACASA-N 1 2 233.359 3.556 10 0 BHAELO C[C@@H]1CCS[C@H](c2ccsc2Cl)[NH2+]1 ZINC000306222079 359344404 /nfs/dbraw/zinc/34/44/04/359344404.db2.gz VOUYAFGGVJBQKN-HZGVNTEJSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@H]1CCS[C@H](c2ccsc2Cl)[NH2+]1 ZINC000306222080 359344549 /nfs/dbraw/zinc/34/45/49/359344549.db2.gz VOUYAFGGVJBQKN-IMTBSYHQSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@@H]1CCS[C@@H](c2ccsc2Cl)[NH2+]1 ZINC000306222082 359344073 /nfs/dbraw/zinc/34/40/73/359344073.db2.gz VOUYAFGGVJBQKN-MUWHJKNJSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@H]1CCS[C@@H](c2ccsc2Cl)[NH2+]1 ZINC000306222084 359344194 /nfs/dbraw/zinc/34/41/94/359344194.db2.gz VOUYAFGGVJBQKN-RCOVLWMOSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@@H]1CC[NH2+][C@@H](c2ccsc2Cl)S1 ZINC000306409269 359798519 /nfs/dbraw/zinc/79/85/19/359798519.db2.gz JSOKKGBUZKTGOP-HZGVNTEJSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@H]1CC[NH2+][C@@H](c2ccsc2Cl)S1 ZINC000306409270 359798472 /nfs/dbraw/zinc/79/84/72/359798472.db2.gz JSOKKGBUZKTGOP-IMTBSYHQSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@@H]1CC[NH2+][C@H](c2ccsc2Cl)S1 ZINC000306409271 359798656 /nfs/dbraw/zinc/79/86/56/359798656.db2.gz JSOKKGBUZKTGOP-MUWHJKNJSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@H]1CC[NH2+][C@H](c2ccsc2Cl)S1 ZINC000306409272 359798666 /nfs/dbraw/zinc/79/86/66/359798666.db2.gz JSOKKGBUZKTGOP-RCOVLWMOSA-N 1 2 233.789 3.515 10 0 BHAELO CC1(C)CS[C@H](c2ccsc2Cl)[NH2+]1 ZINC000306536769 360397010 /nfs/dbraw/zinc/39/70/10/360397010.db2.gz NMDHBTXFUKXXTO-MRVPVSSYSA-N 1 2 233.789 3.515 10 0 BHAELO CC1(C)CS[C@@H](c2ccsc2Cl)[NH2+]1 ZINC000306537076 360403296 /nfs/dbraw/zinc/40/32/96/360403296.db2.gz NMDHBTXFUKXXTO-QMMMGPOBSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@@H]1CC[NH2+][C@@H](c2sccc2Cl)S1 ZINC000306618673 361194555 /nfs/dbraw/zinc/19/45/55/361194555.db2.gz SYESFMNIJFDQPD-HZGVNTEJSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@H]1CC[NH2+][C@@H](c2sccc2Cl)S1 ZINC000306618674 361194089 /nfs/dbraw/zinc/19/40/89/361194089.db2.gz SYESFMNIJFDQPD-IMTBSYHQSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@@H]1CC[NH2+][C@H](c2sccc2Cl)S1 ZINC000306618675 361194769 /nfs/dbraw/zinc/19/47/69/361194769.db2.gz SYESFMNIJFDQPD-MUWHJKNJSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@H]1CC[NH2+][C@H](c2sccc2Cl)S1 ZINC000306618676 361194416 /nfs/dbraw/zinc/19/44/16/361194416.db2.gz SYESFMNIJFDQPD-RCOVLWMOSA-N 1 2 233.789 3.515 10 0 BHAELO Clc1sccc1NC1=[NH+]CCCCC1 ZINC000306642308 361759315 /nfs/dbraw/zinc/75/93/15/361759315.db2.gz SKPWHMAKQFSYPE-UHFFFAOYSA-N 1 2 228.748 3.786 10 0 BHAELO c1cc2cc[nH+]c(NCc3ccccc3)c2s1 ZINC000306726564 350896387 /nfs/dbraw/zinc/89/63/87/350896387.db2.gz MEHPOQBOQDDDIH-UHFFFAOYSA-N 1 2 240.331 3.908 10 0 BHAELO CC(F)(F)[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000307330738 352047512 /nfs/dbraw/zinc/04/75/12/352047512.db2.gz YGLOKQDNGVKDKQ-MRVPVSSYSA-N 1 2 240.080 3.648 10 0 BHAELO CC(F)(F)[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000307330739 352046787 /nfs/dbraw/zinc/04/67/87/352046787.db2.gz YGLOKQDNGVKDKQ-QMMMGPOBSA-N 1 2 240.080 3.648 10 0 BHAELO C[C@@H]1CCS[C@H](c2sccc2Cl)[NH2+]1 ZINC000307364424 372115317 /nfs/dbraw/zinc/11/53/17/372115317.db2.gz KYMZIBMHYAASCT-HZGVNTEJSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@H]1CCS[C@H](c2sccc2Cl)[NH2+]1 ZINC000307364425 372115507 /nfs/dbraw/zinc/11/55/07/372115507.db2.gz KYMZIBMHYAASCT-IMTBSYHQSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@@H]1CCS[C@@H](c2sccc2Cl)[NH2+]1 ZINC000307364426 372115308 /nfs/dbraw/zinc/11/53/08/372115308.db2.gz KYMZIBMHYAASCT-MUWHJKNJSA-N 1 2 233.789 3.515 10 0 BHAELO C[C@H]1CCS[C@@H](c2sccc2Cl)[NH2+]1 ZINC000307364427 372115492 /nfs/dbraw/zinc/11/54/92/372115492.db2.gz KYMZIBMHYAASCT-RCOVLWMOSA-N 1 2 233.789 3.515 10 0 BHAELO CC[C@@H](Nc1ccc(C)[nH+]c1)C(C)(C)C ZINC000309194767 385203467 /nfs/dbraw/zinc/20/34/67/385203467.db2.gz QINYGOFUYCDPEI-GFCCVEGCSA-N 1 2 206.333 3.627 10 0 BHAELO CC[C@H](Nc1ccc(C)[nH+]c1)C(C)(C)C ZINC000309194768 385204829 /nfs/dbraw/zinc/20/48/29/385204829.db2.gz QINYGOFUYCDPEI-LBPRGKRZSA-N 1 2 206.333 3.627 10 0 BHAELO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(F)(F)F ZINC000309566818 388457352 /nfs/dbraw/zinc/45/73/52/388457352.db2.gz MJTBLIFDXHZIQZ-BBBLOLIVSA-N 1 2 237.309 3.742 10 0 BHAELO C[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(F)(F)F ZINC000309566819 388457394 /nfs/dbraw/zinc/45/73/94/388457394.db2.gz MJTBLIFDXHZIQZ-KXUCPTDWSA-N 1 2 237.309 3.742 10 0 BHAELO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(F)(F)F ZINC000309566820 388457128 /nfs/dbraw/zinc/45/71/28/388457128.db2.gz MJTBLIFDXHZIQZ-OPRDCNLKSA-N 1 2 237.309 3.742 10 0 BHAELO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(F)(F)F ZINC000309566821 388457466 /nfs/dbraw/zinc/45/74/66/388457466.db2.gz MJTBLIFDXHZIQZ-UTLUCORTSA-N 1 2 237.309 3.742 10 0 BHAELO Cc1cc[nH+]cc1NC1CCC2(CC2)CC1 ZINC000309712740 179493798 /nfs/dbraw/zinc/49/37/98/179493798.db2.gz RJLMBTHUIALONF-UHFFFAOYSA-N 1 2 216.328 3.525 10 0 BHAELO CC[C@H]([NH2+]CC1CCC(C)CC1)C(F)(F)F ZINC000309892572 388468334 /nfs/dbraw/zinc/46/83/34/388468334.db2.gz DHJFJIRUOFIEGC-ILDUYXDCSA-N 1 2 237.309 3.743 10 0 BHAELO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CCC1(C)C ZINC000310425384 634147057 /nfs/dbraw/zinc/14/70/57/634147057.db2.gz ZYOLWNYBFYKFKK-AWEZNQCLSA-N 1 2 232.371 3.662 10 0 BHAELO Cc1cc([NH+](C)C)ccc1N[C@H]1CCC1(C)C ZINC000310425384 634147050 /nfs/dbraw/zinc/14/70/50/634147050.db2.gz ZYOLWNYBFYKFKK-AWEZNQCLSA-N 1 2 232.371 3.662 10 0 BHAELO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CCC1(C)C ZINC000310425385 632739075 /nfs/dbraw/zinc/73/90/75/632739075.db2.gz ZYOLWNYBFYKFKK-CQSZACIVSA-N 1 2 232.371 3.662 10 0 BHAELO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCC1(C)C ZINC000310425385 632739069 /nfs/dbraw/zinc/73/90/69/632739069.db2.gz ZYOLWNYBFYKFKK-CQSZACIVSA-N 1 2 232.371 3.662 10 0 BHAELO CC1(C)CC[C@@H]1[NH2+]c1ccc(N2CCCC2)cc1 ZINC000310932638 711793768 /nfs/dbraw/zinc/79/37/68/711793768.db2.gz LZGFNWPSPBDLAX-HNNXBMFYSA-N 1 2 244.382 3.887 10 0 BHAELO CC1(C)CC[C@@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000310932638 711793766 /nfs/dbraw/zinc/79/37/66/711793766.db2.gz LZGFNWPSPBDLAX-HNNXBMFYSA-N 1 2 244.382 3.887 10 0 BHAELO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)[C@@H]1C[C@H]1C ZINC000321911171 644181149 /nfs/dbraw/zinc/18/11/49/644181149.db2.gz PNIIBOSJQOMKOL-DVOMOZLQSA-N 1 2 244.382 3.743 10 0 BHAELO C[C@H]([NH2+]c1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C ZINC000321911171 644181144 /nfs/dbraw/zinc/18/11/44/644181144.db2.gz PNIIBOSJQOMKOL-DVOMOZLQSA-N 1 2 244.382 3.743 10 0 BHAELO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)[C@H]1C[C@H]1C ZINC000321911172 644180711 /nfs/dbraw/zinc/18/07/11/644180711.db2.gz PNIIBOSJQOMKOL-IOASZLSFSA-N 1 2 244.382 3.743 10 0 BHAELO C[C@@H]([NH2+]c1ccc(N2CCCC2)cc1)[C@H]1C[C@H]1C ZINC000321911172 644180706 /nfs/dbraw/zinc/18/07/06/644180706.db2.gz PNIIBOSJQOMKOL-IOASZLSFSA-N 1 2 244.382 3.743 10 0 BHAELO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)[C@H]1C[C@H]1C ZINC000321911173 644181249 /nfs/dbraw/zinc/18/12/49/644181249.db2.gz PNIIBOSJQOMKOL-WWGRRREGSA-N 1 2 244.382 3.743 10 0 BHAELO C[C@H]([NH2+]c1ccc(N2CCCC2)cc1)[C@H]1C[C@H]1C ZINC000321911173 644181241 /nfs/dbraw/zinc/18/12/41/644181241.db2.gz PNIIBOSJQOMKOL-WWGRRREGSA-N 1 2 244.382 3.743 10 0 BHAELO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)[C@@H]1C[C@H]1C ZINC000321911175 644180546 /nfs/dbraw/zinc/18/05/46/644180546.db2.gz PNIIBOSJQOMKOL-XJKCOSOUSA-N 1 2 244.382 3.743 10 0 BHAELO C[C@@H]([NH2+]c1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C ZINC000321911175 644180537 /nfs/dbraw/zinc/18/05/37/644180537.db2.gz PNIIBOSJQOMKOL-XJKCOSOUSA-N 1 2 244.382 3.743 10 0 BHAELO C[C@@H]1C[C@H]1Nc1cc[nH+]c2c(Cl)cccc12 ZINC000378733443 346820305 /nfs/dbraw/zinc/82/03/05/346820305.db2.gz LXMJYTNBSBDNNI-PRHODGIISA-N 1 2 232.714 3.709 10 0 BHAELO CC(C)C1CCC(C[NH2+]CC(F)(F)F)CC1 ZINC000380648998 367267438 /nfs/dbraw/zinc/26/74/38/367267438.db2.gz OTCPWMAHZZYKPN-UHFFFAOYSA-N 1 2 237.309 3.601 10 0 BHAELO C[C@@H]1C[C@@H]1Nc1cc[nH+]c2c(Cl)cccc12 ZINC000390636182 259396480 /nfs/dbraw/zinc/39/64/80/259396480.db2.gz LXMJYTNBSBDNNI-PELKAZGASA-N 1 2 232.714 3.709 10 0 BHAELO C[C@H]1C[C@H]1Nc1cc[nH+]c2c(Cl)cccc12 ZINC000390636183 259396402 /nfs/dbraw/zinc/39/64/02/259396402.db2.gz LXMJYTNBSBDNNI-QPUJVOFHSA-N 1 2 232.714 3.709 10 0 BHAELO C[C@H]1C[C@@H]1Nc1cc[nH+]c2c(Cl)cccc12 ZINC000390636184 259396459 /nfs/dbraw/zinc/39/64/59/259396459.db2.gz LXMJYTNBSBDNNI-UFBFGSQYSA-N 1 2 232.714 3.709 10 0 BHAELO CCc1c(C)[nH+]c2cccc(C)c2c1CC ZINC000536953515 323961289 /nfs/dbraw/zinc/96/12/89/323961289.db2.gz MAZKICYNBQMALI-UHFFFAOYSA-N 1 2 213.324 3.976 10 0 BHAELO CCc1c(C)[nH+]c2cccc(F)c2c1CC ZINC000536953692 387166708 /nfs/dbraw/zinc/16/67/08/387166708.db2.gz OIDUGELCFAKISL-UHFFFAOYSA-N 1 2 217.287 3.807 10 0 BHAELO C[C@H](Sc1ccsc1)[NH+]1CCCCC1 ZINC000536955418 323964970 /nfs/dbraw/zinc/96/49/70/323964970.db2.gz XZVHSWNFVNXAGH-JTQLQIEISA-N 1 2 227.398 3.672 10 0 BHAELO C[C@@H](Sc1ccsc1)[NH+]1CCCCC1 ZINC000536955424 387167345 /nfs/dbraw/zinc/16/73/45/387167345.db2.gz XZVHSWNFVNXAGH-SNVBAGLBSA-N 1 2 227.398 3.672 10 0 BHAELO CC(C)C[C@@H]([NH3+])c1cc(Cl)c(O)c(Cl)c1 ZINC000575438858 387119643 /nfs/dbraw/zinc/11/96/43/387119643.db2.gz DFLKATVFOBEWDM-SNVBAGLBSA-N 1 2 248.153 3.745 10 0 BHAELO CC(C)C[C@H]([NH3+])c1cc(Cl)c(O)c(Cl)c1 ZINC000575439523 387123212 /nfs/dbraw/zinc/12/32/12/387123212.db2.gz DFLKATVFOBEWDM-JTQLQIEISA-N 1 2 248.153 3.745 10 0 BHAELO C[C@@H]1CC[C@@H](CCCC[NH+]2CC2)[C@@H](C)C1 ZINC000584591766 358250459 /nfs/dbraw/zinc/25/04/59/358250459.db2.gz JMENCCIKVJTSEL-HZSPNIEDSA-N 1 2 209.377 3.545 10 0 BHAELO C[C@@H]1CC[C@H](CCCC[NH+]2CC2)[C@H](C)C1 ZINC000584591771 358250352 /nfs/dbraw/zinc/25/03/52/358250352.db2.gz JMENCCIKVJTSEL-MCIONIFRSA-N 1 2 209.377 3.545 10 0 BHAELO C[C@@H]1CC[C@@H](CCCC[NH+]2CC2)[C@H](C)C1 ZINC000584591772 358250321 /nfs/dbraw/zinc/25/03/21/358250321.db2.gz JMENCCIKVJTSEL-MGPQQGTHSA-N 1 2 209.377 3.545 10 0 BHAELO C[C@@H]1CC[C@H](CCCC[NH+]2CC2)[C@@H](C)C1 ZINC000584591773 358250258 /nfs/dbraw/zinc/25/02/58/358250258.db2.gz JMENCCIKVJTSEL-RDBSUJKOSA-N 1 2 209.377 3.545 10 0 BHAELO CC(C)[N@H+]1C[C@@H]1c1ccc2ccccc2c1 ZINC000584591782 358250303 /nfs/dbraw/zinc/25/03/03/358250303.db2.gz KAHNPCVIUPDJLP-AAFJCEBUSA-N 1 2 211.308 3.605 10 0 BHAELO CC(C)[N@@H+]1C[C@@H]1c1ccc2ccccc2c1 ZINC000584591782 358250301 /nfs/dbraw/zinc/25/03/01/358250301.db2.gz KAHNPCVIUPDJLP-AAFJCEBUSA-N 1 2 211.308 3.605 10 0 BHAELO CC(C)[N@H+]1C[C@H]1c1ccc2ccccc2c1 ZINC000584591787 358250417 /nfs/dbraw/zinc/25/04/17/358250417.db2.gz KAHNPCVIUPDJLP-VYRBHSGPSA-N 1 2 211.308 3.605 10 0 BHAELO CC(C)[N@@H+]1C[C@H]1c1ccc2ccccc2c1 ZINC000584591787 358250413 /nfs/dbraw/zinc/25/04/13/358250413.db2.gz KAHNPCVIUPDJLP-VYRBHSGPSA-N 1 2 211.308 3.605 10 0 BHAELO FC(F)(F)c1ccc(/C=C/n2cc[nH+]c2)cc1 ZINC000584609225 358270534 /nfs/dbraw/zinc/27/05/34/358270534.db2.gz AQSONNWILQWYBY-FNORWQNLSA-N 1 2 238.212 3.530 10 0 BHAELO FC(F)(F)c1cc(-n2cc[nH+]c2)ccc1Cl ZINC000584615816 358107820 /nfs/dbraw/zinc/10/78/20/358107820.db2.gz WUFLNTPOUXYKKO-UHFFFAOYSA-N 1 2 246.619 3.545 10 0 BHAELO FC(F)(F)c1ccc2[nH+]c3ccccc3n2c1 ZINC000584622286 358290123 /nfs/dbraw/zinc/29/01/23/358290123.db2.gz BRUJXNOAHAYJAY-UHFFFAOYSA-N 1 2 236.196 3.506 10 0 BHAELO FC(F)(F)c1ccn2c(c1)[nH+]c1ccccc12 ZINC000584630802 358301237 /nfs/dbraw/zinc/30/12/37/358301237.db2.gz LSEWPHHWYFBKJJ-UHFFFAOYSA-N 1 2 236.196 3.506 10 0 BHAELO Fc1cccc(-c2c[nH+]c3ccc(Cl)cn32)c1 ZINC000584639705 358325600 /nfs/dbraw/zinc/32/56/00/358325600.db2.gz WXBMMIWWUOXPSK-UHFFFAOYSA-N 1 2 246.672 3.794 10 0 BHAELO CC(C)c1ccc(Cl)cc1C[NH2+]CC(F)F ZINC000584644052 358329211 /nfs/dbraw/zinc/32/92/11/358329211.db2.gz YPMUZVWGVJXRED-UHFFFAOYSA-N 1 2 247.716 3.818 10 0 BHAELO CCCc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000584650917 358305660 /nfs/dbraw/zinc/30/56/60/358305660.db2.gz WHWPAFHZUFHMCR-UHFFFAOYSA-N 1 2 213.280 3.826 10 0 BHAELO C[N@H+]1Cc2cccc3[nH]cc(c32)[C@@H]1c1ccccc1 ZINC000584651332 358306155 /nfs/dbraw/zinc/30/61/55/358306155.db2.gz WYZDVZVLHQCIEZ-KRWDZBQOSA-N 1 2 248.329 3.703 10 0 BHAELO C[N@@H+]1Cc2cccc3[nH]cc(c32)[C@@H]1c1ccccc1 ZINC000584651332 358306153 /nfs/dbraw/zinc/30/61/53/358306153.db2.gz WYZDVZVLHQCIEZ-KRWDZBQOSA-N 1 2 248.329 3.703 10 0 BHAELO C[N@H+]1Cc2cccc3[nH]cc(c32)[C@H]1c1ccccc1 ZINC000584651333 358306182 /nfs/dbraw/zinc/30/61/82/358306182.db2.gz WYZDVZVLHQCIEZ-QGZVFWFLSA-N 1 2 248.329 3.703 10 0 BHAELO C[N@@H+]1Cc2cccc3[nH]cc(c32)[C@H]1c1ccccc1 ZINC000584651333 358306179 /nfs/dbraw/zinc/30/61/79/358306179.db2.gz WYZDVZVLHQCIEZ-QGZVFWFLSA-N 1 2 248.329 3.703 10 0 BHAELO Nc1[nH+]cc(C2CCCCC2)cc1C(F)(F)F ZINC000584881131 343082021 /nfs/dbraw/zinc/08/20/21/343082021.db2.gz OMCUJWADRXMRMJ-UHFFFAOYSA-N 1 2 244.260 3.730 10 0 BHAELO Cc1ccc(Oc2ccc(N)cc2Cl)c(C)[nH+]1 ZINC000616212975 369063136 /nfs/dbraw/zinc/06/31/36/369063136.db2.gz LTBNEBDYFFBPEY-UHFFFAOYSA-N 1 2 248.713 3.726 10 0 BHAELO Cc1[nH+]c2ccccc2n1CC1(F)CCCC1 ZINC000616580823 349260425 /nfs/dbraw/zinc/26/04/25/349260425.db2.gz QFGIFNYBEMSSEE-UHFFFAOYSA-N 1 2 232.302 3.627 10 0 BHAELO Cc1[nH+]c2ccccc2n1[C@@H]1CCCC[C@H]1F ZINC000616581143 349262667 /nfs/dbraw/zinc/26/26/67/349262667.db2.gz HMMALONEBCAIOU-DGCLKSJQSA-N 1 2 232.302 3.798 10 0 BHAELO CC(C)(C)[N@H+]1CCc2ccccc2[C@@H]1C(F)F ZINC000616588473 349495310 /nfs/dbraw/zinc/49/53/10/349495310.db2.gz RZHWVNFLQDVYDG-GFCCVEGCSA-N 1 2 239.309 3.649 10 0 BHAELO CC(C)(C)[N@@H+]1CCc2ccccc2[C@@H]1C(F)F ZINC000616588473 349495307 /nfs/dbraw/zinc/49/53/07/349495307.db2.gz RZHWVNFLQDVYDG-GFCCVEGCSA-N 1 2 239.309 3.649 10 0 BHAELO FC(F)[C@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000616622732 351084995 /nfs/dbraw/zinc/08/49/95/351084995.db2.gz PQLHCJMVDWPFAY-CYBMUJFWSA-N 1 2 239.309 3.696 10 0 BHAELO FC(F)[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616622732 351084993 /nfs/dbraw/zinc/08/49/93/351084993.db2.gz PQLHCJMVDWPFAY-CYBMUJFWSA-N 1 2 239.309 3.696 10 0 BHAELO FC(F)[C@@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000616623705 351090474 /nfs/dbraw/zinc/09/04/74/351090474.db2.gz PQLHCJMVDWPFAY-ZDUSSCGKSA-N 1 2 239.309 3.696 10 0 BHAELO FC(F)[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616623705 351090471 /nfs/dbraw/zinc/09/04/71/351090471.db2.gz PQLHCJMVDWPFAY-ZDUSSCGKSA-N 1 2 239.309 3.696 10 0 BHAELO CC(C)(C)[N@H+]1CCc2ccccc2[C@H]1C(F)F ZINC000616679391 351250156 /nfs/dbraw/zinc/25/01/56/351250156.db2.gz RZHWVNFLQDVYDG-LBPRGKRZSA-N 1 2 239.309 3.649 10 0 BHAELO CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1C(F)F ZINC000616679391 351250153 /nfs/dbraw/zinc/25/01/53/351250153.db2.gz RZHWVNFLQDVYDG-LBPRGKRZSA-N 1 2 239.309 3.649 10 0 BHAELO CCc1[nH+]c2cc(C)c(F)cc2c(C)c1C ZINC000669372515 566421019 /nfs/dbraw/zinc/42/10/19/566421019.db2.gz QQYAHGSMBGGORJ-UHFFFAOYSA-N 1 2 217.287 3.862 10 0 BHAELO Cc1ccc(-c2c[nH+]cc(N)c2C)cc1Cl ZINC000669380827 537992693 /nfs/dbraw/zinc/99/26/93/537992693.db2.gz QOHGAXXFHRMSKK-UHFFFAOYSA-N 1 2 232.714 3.601 10 0 BHAELO Cc1ccc(-c2c[nH+]cc(N)c2C)c(Cl)c1 ZINC000669380973 537991730 /nfs/dbraw/zinc/99/17/30/537991730.db2.gz UQIGHFPUVNPSKO-UHFFFAOYSA-N 1 2 232.714 3.601 10 0 BHAELO CCCc1ccc(-c2c[nH+]cc(N)c2C)cc1 ZINC000722753397 537930103 /nfs/dbraw/zinc/93/01/03/537930103.db2.gz ZRZDPFPECAJAAH-UHFFFAOYSA-N 1 2 226.323 3.592 10 0 BHAELO Cc1c(N)c[nH+]cc1-c1cccc(C(C)(C)C)c1 ZINC000725269089 538101608 /nfs/dbraw/zinc/10/16/08/538101608.db2.gz DLPIUGRBOFYHSF-UHFFFAOYSA-N 1 2 240.350 3.937 10 0 BHAELO CCCCCC[NH2+]c1ccc2c(c1)CCN2C ZINC000757126401 586426550 /nfs/dbraw/zinc/42/65/50/586426550.db2.gz FNSBMYKZVNHHPR-UHFFFAOYSA-N 1 2 232.371 3.671 10 0 BHAELO CCC[C@H](C)c1nc2[nH]ccc2c(NC(C)C)[nH+]1 ZINC000757566023 586305196 /nfs/dbraw/zinc/30/51/96/586305196.db2.gz JZFFRYLVFQQLSM-JTQLQIEISA-N 1 2 246.358 3.682 10 0 BHAELO CCC[C@@H](C)c1nc2[nH]ccc2c(NC(C)C)[nH+]1 ZINC000757566026 586305162 /nfs/dbraw/zinc/30/51/62/586305162.db2.gz JZFFRYLVFQQLSM-SNVBAGLBSA-N 1 2 246.358 3.682 10 0 BHAELO