smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1csc(C2([N@H+]3CC=CCC3)CCCCC2)c1 ZINC000000004184 368474406 /nfs/dbraw/zinc/47/44/06/368474406.db2.gz NDTNWLZCHFUWIS-UHFFFAOYSA-N 1 0 247.407 4.169 10 0 BIAERO CC[C@@H]1C[NH2+]CC[C@@H]1c1cccc2ccsc21 ZINC000000026714 171100888 /nfs/dbraw/zinc/10/08/88/171100888.db2.gz DMERSJYHSANXOT-YPMHNXCESA-N 1 0 245.391 4.004 10 0 BIAERO C[NH+](C)CC[C@@H](c1ccccc1)C1CCCCC1 ZINC000001481846 172476194 /nfs/dbraw/zinc/47/61/94/172476194.db2.gz AJDSHXKJJDQZCJ-KRWDZBQOSA-N 1 0 245.410 4.302 10 0 in-man BIAERO C[N@H+]1CC=C(/C=C/c2cccc3ccccc23)CC1 ZINC000001560219 342702903 /nfs/dbraw/zinc/70/29/03/342702903.db2.gz BPVAGRSEOWNGCE-MDZDMXLPSA-N 1 0 249.357 4.115 10 0 BIAERO C[NH2+]C1(c2cc3ccccc3s2)CCCCC1 ZINC000001657599 173321681 /nfs/dbraw/zinc/32/16/81/173321681.db2.gz PADRKBFCCOWJKU-UHFFFAOYSA-N 1 0 245.391 4.280 10 0 BIAERO [NH3+]C1(c2cc3ccccc3s2)CCCCCC1 ZINC000001657601 181333581 /nfs/dbraw/zinc/33/35/81/181333581.db2.gz BCBMINBNEZGMJJ-UHFFFAOYSA-N 1 0 245.391 4.410 10 0 in-vivo BIAERO [NH3+]C1(c2cc3ccccc3s2)CCCCC1 ZINC000001657638 181333798 /nfs/dbraw/zinc/33/37/98/181333798.db2.gz HYVMNAZTYJDWIZ-UHFFFAOYSA-N 1 0 231.364 4.019 10 0 in-vivo BIAERO CCCC[C@H](CC)C[NH2+]C1CCCCC1 ZINC000001693376 168999110 /nfs/dbraw/zinc/99/91/10/168999110.db2.gz AYMDRBYANXGFGR-ZDUSSCGKSA-N 1 0 211.393 4.125 10 0 BIAERO c1csc(C2([NH+]3CCCC3)CCCCC2)c1 ZINC000001849763 183515614 /nfs/dbraw/zinc/51/56/14/183515614.db2.gz XLQOCWQLDNWQDM-UHFFFAOYSA-N 1 0 235.396 4.003 10 0 in-vitro BIAERO CC[C@@H](CC[NH+](C)C)c1cccc2ccccc21 ZINC000002013208 368735131 /nfs/dbraw/zinc/73/51/31/368735131.db2.gz MHCFCQKMFTUBLG-AWEZNQCLSA-N 1 0 241.378 4.285 10 0 BIAERO CC[C@H](CC[NH+](C)C)c1cccc2ccccc21 ZINC000002013209 368734906 /nfs/dbraw/zinc/73/49/06/368734906.db2.gz MHCFCQKMFTUBLG-CQSZACIVSA-N 1 0 241.378 4.285 10 0 BIAERO C[NH+](C)CC[C@H](c1ccccc1)C1CCCCC1 ZINC000002015666 411464099 /nfs/dbraw/zinc/46/40/99/411464099.db2.gz AJDSHXKJJDQZCJ-QGZVFWFLSA-N 1 0 245.410 4.302 10 0 in-man BIAERO CC[N@@H+]1[C@@H](c2c[nH]c3ccccc23)CCC1(C)C ZINC000002016826 362381470 /nfs/dbraw/zinc/38/14/70/362381470.db2.gz XAQRHUZUBSOOSY-OAHLLOKOSA-N 1 0 242.366 4.103 10 0 BIAERO CC[N@@H+]1[C@H](c2c[nH]c3ccccc23)CCC1(C)C ZINC000002016828 362381500 /nfs/dbraw/zinc/38/15/00/362381500.db2.gz XAQRHUZUBSOOSY-HNNXBMFYSA-N 1 0 242.366 4.103 10 0 BIAERO CCCCc1ccc(-c2ccccc2C[NH3+])cc1 ZINC000002127532 169019903 /nfs/dbraw/zinc/01/99/03/169019903.db2.gz OXWOKPLGIKPPBO-UHFFFAOYSA-N 1 0 239.362 4.155 10 0 BIAERO CCCCc1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000002135627 169019985 /nfs/dbraw/zinc/01/99/85/169019985.db2.gz YUXZHWZCZUWXKS-UHFFFAOYSA-N 1 0 239.362 4.155 10 0 BIAERO CCCCc1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000002136443 169018908 /nfs/dbraw/zinc/01/89/08/169018908.db2.gz FXDLAJDYVFQVCT-UHFFFAOYSA-N 1 0 239.362 4.155 10 0 BIAERO c1cc(C2([NH+]3CCCCC3)CCCCC2)cs1 ZINC000003619869 183334552 /nfs/dbraw/zinc/33/45/52/183334552.db2.gz KPLQNTBYWWPEBN-UHFFFAOYSA-N 1 0 249.423 4.393 10 0 BIAERO C[C@@H]1C[NH2+][C@H](c2ccc(-c3ccccc3)cc2)C1 ZINC000003704301 188101952 /nfs/dbraw/zinc/10/19/52/188101952.db2.gz MTMSCWQRMMMXSS-GUYCJALGSA-N 1 0 237.346 4.024 10 0 BIAERO C[C@H]1C[NH2+][C@H](c2ccc(-c3ccccc3)cc2)C1 ZINC000003704302 177286459 /nfs/dbraw/zinc/28/64/59/177286459.db2.gz MTMSCWQRMMMXSS-DYVFJYSZSA-N 1 0 237.346 4.024 10 0 BIAERO C[C@@H]1C[NH2+][C@@H](c2ccc(-c3ccccc3)cc2)C1 ZINC000003704303 176330501 /nfs/dbraw/zinc/33/05/01/176330501.db2.gz MTMSCWQRMMMXSS-SUMWQHHRSA-N 1 0 237.346 4.024 10 0 BIAERO C[C@H]1C[NH2+][C@@H](c2ccc(-c3ccccc3)cc2)C1 ZINC000003704304 384023134 /nfs/dbraw/zinc/02/31/34/384023134.db2.gz MTMSCWQRMMMXSS-CXAGYDPISA-N 1 0 237.346 4.024 10 0 BIAERO CC[C@@H]1CC[NH2+][C@H]1c1ccc(C(C)(C)C)cc1 ZINC000003733111 171027344 /nfs/dbraw/zinc/02/73/44/171027344.db2.gz CGBBWSGMSCWPRD-IUODEOHRSA-N 1 0 231.383 4.045 10 0 BIAERO CC[C@@H]1CC[NH2+][C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000003733113 171026706 /nfs/dbraw/zinc/02/67/06/171026706.db2.gz CGBBWSGMSCWPRD-DOMZBBRYSA-N 1 0 231.383 4.045 10 0 BIAERO CC[C@@H]1CC[NH2+][C@H]1C1CCC(C(C)(C)C)CC1 ZINC000003733463 171026984 /nfs/dbraw/zinc/02/69/84/171026984.db2.gz DFYWJBRHWOESRH-XSCHDIRWSA-N 1 0 237.431 4.227 10 0 BIAERO CC[C@@H]1CC[NH2+][C@@H]1C1CCC(C(C)(C)C)CC1 ZINC000003733465 171026791 /nfs/dbraw/zinc/02/67/91/171026791.db2.gz DFYWJBRHWOESRH-URGYJCLVSA-N 1 0 237.431 4.227 10 0 BIAERO C[C@H]1CC[NH2+][C@H]1c1ccc(-c2ccccc2)cc1 ZINC000003733720 177176149 /nfs/dbraw/zinc/17/61/49/177176149.db2.gz UZZAKJIOMOPVBA-SUMWQHHRSA-N 1 0 237.346 4.024 10 0 BIAERO C[C@@H]1CC[NH2+][C@H]1c1ccc(-c2ccccc2)cc1 ZINC000003733721 176187576 /nfs/dbraw/zinc/18/75/76/176187576.db2.gz UZZAKJIOMOPVBA-CXAGYDPISA-N 1 0 237.346 4.024 10 0 BIAERO C[C@H]1CC[NH2+][C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000003733722 177175838 /nfs/dbraw/zinc/17/58/38/177175838.db2.gz UZZAKJIOMOPVBA-GUYCJALGSA-N 1 0 237.346 4.024 10 0 BIAERO C[C@@H]1CC[NH2+][C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000003733723 176186268 /nfs/dbraw/zinc/18/62/68/176186268.db2.gz UZZAKJIOMOPVBA-DYVFJYSZSA-N 1 0 237.346 4.024 10 0 BIAERO CCCCOc1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000003735000 188102256 /nfs/dbraw/zinc/10/22/56/188102256.db2.gz AEZWGUYIFNKCRI-INIZCTEOSA-N 1 0 247.382 4.070 10 0 BIAERO CC(C)(C)C1CCC([C@H]2CCCCC[NH2+]2)CC1 ZINC000003735056 166543986 /nfs/dbraw/zinc/54/39/86/166543986.db2.gz KGRTXLZSBZDDDZ-YMAMQOFZSA-N 1 0 237.431 4.371 10 0 BIAERO c1ccc(C2([N@H+]3CC=CCC3)CCCCC2)cc1 ZINC000003799433 188269269 /nfs/dbraw/zinc/26/92/69/188269269.db2.gz LAGQRENRTSANDN-UHFFFAOYSA-N 1 0 241.378 4.108 10 0 BIAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccccc1 ZINC000004336223 384965395 /nfs/dbraw/zinc/96/53/95/384965395.db2.gz QVMPHRHVMPNHQF-USXIJHARSA-N 1 0 245.410 4.237 10 0 BIAERO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccccc1 ZINC000004336225 384964303 /nfs/dbraw/zinc/96/43/03/384964303.db2.gz QVMPHRHVMPNHQF-BHYGNILZSA-N 1 0 245.410 4.237 10 0 BIAERO CCCC[C@H](C[NH3+])c1cccc2ccccc21 ZINC000005064612 369003335 /nfs/dbraw/zinc/00/33/35/369003335.db2.gz NSJXBRPLKMLMSS-CQSZACIVSA-N 1 0 227.351 4.072 10 0 BIAERO CCCC[C@H](CCC)[NH2+]Cc1ccccc1 ZINC000005309993 169000734 /nfs/dbraw/zinc/00/07/34/169000734.db2.gz XCLYGOINUXOKPQ-HNNXBMFYSA-N 1 0 219.372 4.135 10 0 BIAERO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1C(C)(C)C ZINC000005369898 187247839 /nfs/dbraw/zinc/24/78/39/187247839.db2.gz XKGJBOLHPKPIOO-UKRRQHHQSA-N 1 0 231.383 4.053 10 0 BIAERO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1C(C)(C)C ZINC000005377004 177338320 /nfs/dbraw/zinc/33/83/20/177338320.db2.gz XKGJBOLHPKPIOO-ZFWWWQNUSA-N 1 0 231.383 4.053 10 0 BIAERO N#[N+]c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000005667434 188103149 /nfs/dbraw/zinc/10/31/49/188103149.db2.gz MLZSUQRRWGISHZ-UHFFFAOYSA-N 1 0 247.281 4.024 10 0 BIAERO N#[N+]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005749186 384127862 /nfs/dbraw/zinc/12/78/62/384127862.db2.gz OBUHATYQFHFCRT-UHFFFAOYSA-N 1 0 241.114 4.209 10 0 BIAERO CCCC[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000005784362 342770128 /nfs/dbraw/zinc/77/01/28/342770128.db2.gz NSJXBRPLKMLMSS-AWEZNQCLSA-N 1 0 227.351 4.072 10 0 BIAERO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1ccccc1 ZINC000005794100 169541291 /nfs/dbraw/zinc/54/12/91/169541291.db2.gz JTIIIEDXFXGPQZ-HOCLYGCPSA-N 1 0 231.383 4.087 10 0 BIAERO CC[NH+](CC)C/C=C(/C)CCC=C(C)C ZINC000005807563 169762398 /nfs/dbraw/zinc/76/23/98/169762398.db2.gz XDEJHXKVKISANH-KAMYIIQDSA-N 1 0 209.377 4.021 10 0 BIAERO C[C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C(C)(C)C ZINC000005919856 176102262 /nfs/dbraw/zinc/10/22/62/176102262.db2.gz ZIWDIECIMIOWGM-ZBFHGGJFSA-N 1 0 245.410 4.333 10 0 BIAERO C[C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C(C)(C)C ZINC000005920747 177101904 /nfs/dbraw/zinc/10/19/04/177101904.db2.gz ZIWDIECIMIOWGM-HOCLYGCPSA-N 1 0 245.410 4.333 10 0 BIAERO N#[N+]c1c(Cl)cc(Cl)cc1Cl ZINC000006091229 355857462 /nfs/dbraw/zinc/85/74/62/355857462.db2.gz DALFRMLWFWYVJL-UHFFFAOYSA-N 1 0 208.455 4.131 10 0 BIAERO C[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)[C@@H]1C ZINC000006455206 176122426 /nfs/dbraw/zinc/12/24/26/176122426.db2.gz UULRUIWFGXKSEK-FDYHZIKMSA-N 1 0 243.394 4.114 10 0 BIAERO C[C@H]1[C@H]([NH2+]C/C=C/c2ccccc2)CCC[C@@H]1C ZINC000006455794 177122375 /nfs/dbraw/zinc/12/23/75/177122375.db2.gz UULRUIWFGXKSEK-NXWGASBKSA-N 1 0 243.394 4.114 10 0 BIAERO CC(C)c1ccc([C@H]([NH3+])C2CCCC2)cc1 ZINC000009245918 167618588 /nfs/dbraw/zinc/61/85/88/167618588.db2.gz FYKUZGSSFSMNSW-OAHLLOKOSA-N 1 0 217.356 4.000 10 0 BIAERO CC(C)c1ccc([C@@H]([NH3+])C2CCCC2)cc1 ZINC000009245919 167613602 /nfs/dbraw/zinc/61/36/02/167613602.db2.gz FYKUZGSSFSMNSW-HNNXBMFYSA-N 1 0 217.356 4.000 10 0 BIAERO CC(C)C[C@H]1[NH2+]CCc2ccc(C(C)C)cc21 ZINC000011598542 187931722 /nfs/dbraw/zinc/93/17/22/187931722.db2.gz DNVFEAYEAAUZSQ-MRXNPFEDSA-N 1 0 231.383 4.043 10 0 BIAERO CC(C)C[C@H]1[NH2+]CCc2ccc(C(C)(C)C)cc21 ZINC000011598826 187931782 /nfs/dbraw/zinc/93/17/82/187931782.db2.gz VXJXUVPEQRTUIM-MRXNPFEDSA-N 1 0 245.410 4.217 10 0 BIAERO CC(C)(C)c1ccc2c(c1)[C@H](C(C)(C)C)[NH2+]CC2 ZINC000011598838 187760429 /nfs/dbraw/zinc/76/04/29/187760429.db2.gz STWVOOZNZVTDTC-OAHLLOKOSA-N 1 0 245.410 4.217 10 0 BIAERO CC(C)c1ccc([C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000011602004 167612433 /nfs/dbraw/zinc/61/24/33/167612433.db2.gz MOFYVEWFKLLFPJ-KRWDZBQOSA-N 1 0 239.362 4.053 10 0 BIAERO CC(C)c1ccc(C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000011604252 167600948 /nfs/dbraw/zinc/60/09/48/167600948.db2.gz NVFIJNVENZATAC-QGZVFWFLSA-N 1 0 239.362 4.053 10 0 BIAERO C[NH2+]CC[C@H](c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000011630128 173358781 /nfs/dbraw/zinc/35/87/81/173358781.db2.gz JBDLFDIHXBZJLO-INIZCTEOSA-N 1 0 245.410 4.087 10 0 BIAERO C[NH2+]CC[C@@H](c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000011630129 173358502 /nfs/dbraw/zinc/35/85/02/173358502.db2.gz JBDLFDIHXBZJLO-MRXNPFEDSA-N 1 0 245.410 4.087 10 0 BIAERO C[NH2+]CC[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000011630166 173359053 /nfs/dbraw/zinc/35/90/53/173359053.db2.gz FTCBVJXECJFEFE-INIZCTEOSA-N 1 0 233.399 4.159 10 0 BIAERO C[NH2+]CC[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000011630167 173358590 /nfs/dbraw/zinc/35/85/90/173358590.db2.gz FTCBVJXECJFEFE-MRXNPFEDSA-N 1 0 233.399 4.159 10 0 BIAERO C[NH2+]CC[C@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000011630168 173358925 /nfs/dbraw/zinc/35/89/25/173358925.db2.gz ZFPYCSKSVCPKNZ-INIZCTEOSA-N 1 0 247.426 4.333 10 0 BIAERO C[NH2+]CC[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000011630169 173358165 /nfs/dbraw/zinc/35/81/65/173358165.db2.gz ZFPYCSKSVCPKNZ-MRXNPFEDSA-N 1 0 247.426 4.333 10 0 BIAERO C[NH2+][C@@H](C)CC(C)(C)c1ccc(C(C)C)cc1 ZINC000011631411 173414373 /nfs/dbraw/zinc/41/43/73/173414373.db2.gz JWXJRTNNDXIFRO-ZDUSSCGKSA-N 1 0 233.399 4.086 10 0 BIAERO C[NH2+][C@H](C)CC(C)(C)c1ccc(C(C)C)cc1 ZINC000011631412 173445702 /nfs/dbraw/zinc/44/57/02/173445702.db2.gz JWXJRTNNDXIFRO-CYBMUJFWSA-N 1 0 233.399 4.086 10 0 BIAERO C[NH2+][C@H](C)CC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000011631414 173446093 /nfs/dbraw/zinc/44/60/93/173446093.db2.gz QHODDDANTLCOFB-CYBMUJFWSA-N 1 0 247.426 4.260 10 0 BIAERO [NH3+]C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC000011884905 181333989 /nfs/dbraw/zinc/33/39/89/181333989.db2.gz HAVLGSBEQUIWSM-UHFFFAOYSA-N 1 0 244.165 4.112 10 0 BIAERO CC(C)c1ccccc1Oc1ccc(C[NH3+])cc1 ZINC000011993249 343043533 /nfs/dbraw/zinc/04/35/33/343043533.db2.gz LSHJQHPVPZBIJP-UHFFFAOYSA-N 1 0 241.334 4.061 10 0 BIAERO CC(C)=CCC/C(C)=C/C[NH2+]Cc1ccco1 ZINC000012379223 519403269 /nfs/dbraw/zinc/40/32/69/519403269.db2.gz XMTILSZPRSYDMD-NTEUORMPSA-N 1 0 233.355 4.062 10 0 BIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000013467895 188342716 /nfs/dbraw/zinc/34/27/16/188342716.db2.gz QVMPHRHVMPNHQF-XIRDDKMYSA-N 1 0 245.410 4.237 10 0 BIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000013467899 346947994 /nfs/dbraw/zinc/94/79/94/346947994.db2.gz QVMPHRHVMPNHQF-UAGQMJEPSA-N 1 0 245.410 4.237 10 0 BIAERO C[N@H+]1CC=C(c2ccc(-c3ccccc3)cc2)CC1 ZINC000013604476 343096371 /nfs/dbraw/zinc/09/63/71/343096371.db2.gz JCXIFIULUUEWAX-UHFFFAOYSA-N 1 0 249.357 4.073 10 0 BIAERO CCCc1cccc([C@@H]2CCC[N@@H+](CCC)C2)c1 ZINC000013738273 343101893 /nfs/dbraw/zinc/10/18/93/343101893.db2.gz SXCBTZZPBYWDRW-QGZVFWFLSA-N 1 0 245.410 4.229 10 0 BIAERO CCC[NH+](CCC)[C@@H]1CCc2ccccc2[C@@H]1C ZINC000013740184 169150541 /nfs/dbraw/zinc/15/05/41/169150541.db2.gz BSFUDLSQCLQWQE-WMLDXEAASA-N 1 0 245.410 4.227 10 0 BIAERO CCC[NH+](CCC)[C@H]1CCc2ccccc2[C@H]1C ZINC000013740185 169152945 /nfs/dbraw/zinc/15/29/45/169152945.db2.gz BSFUDLSQCLQWQE-PBHICJAKSA-N 1 0 245.410 4.227 10 0 BIAERO CCC[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)[N@@H+]2C ZINC000013742498 343102833 /nfs/dbraw/zinc/10/28/33/343102833.db2.gz ZWPCJQABQGIZIQ-MWDXBVQZSA-N 1 0 243.394 4.053 10 0 BIAERO c1ccc2c(c1)[C@H]1CCCC[C@@]21[NH+]1CCCCC1 ZINC000013777941 183455168 /nfs/dbraw/zinc/45/51/68/183455168.db2.gz YSXPXBOBMSADAA-IAGOWNOFSA-N 1 0 241.378 4.039 10 0 BIAERO c1ccc2c(c1)C1CCC2([NH+]2CCCCC2)CC1 ZINC000013777947 384869846 /nfs/dbraw/zinc/86/98/46/384869846.db2.gz JWTHYVLGIZRPGR-UHFFFAOYSA-N 1 0 241.378 4.039 10 0 BIAERO CCC[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccccc1)[N@@H+]2C ZINC000013782185 343103592 /nfs/dbraw/zinc/10/35/92/343103592.db2.gz ZWPCJQABQGIZIQ-LUKYLMHMSA-N 1 0 243.394 4.053 10 0 BIAERO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[NH3+] ZINC000015213360 343266076 /nfs/dbraw/zinc/26/60/76/343266076.db2.gz BDKQVCHNTAJNJR-YFVJMOTDSA-N 1 0 221.388 4.364 10 0 BIAERO CC(C)c1ccc(CC2([NH3+])CCCCC2)cc1 ZINC000016787152 167592685 /nfs/dbraw/zinc/59/26/85/167592685.db2.gz DDEABYGCVCHUJR-UHFFFAOYSA-N 1 0 231.383 4.014 10 0 BIAERO C[N@H+]1CC=C(/C=C\c2cccc3ccccc23)CC1 ZINC000016976875 343390553 /nfs/dbraw/zinc/39/05/53/343390553.db2.gz BPVAGRSEOWNGCE-KTKRTIGZSA-N 1 0 249.357 4.115 10 0 BIAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000019230581 188461253 /nfs/dbraw/zinc/46/12/53/188461253.db2.gz DKESQQOJGBAEJA-HZPDHXFCSA-N 1 0 245.410 4.381 10 0 BIAERO CC1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000019230990 168164984 /nfs/dbraw/zinc/16/49/84/168164984.db2.gz COLCPUWARRTWDW-PUJMQQBBSA-N 1 0 243.394 4.232 10 0 BIAERO CC1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000019230991 168165473 /nfs/dbraw/zinc/16/54/73/168165473.db2.gz COLCPUWARRTWDW-PGEKIEPBSA-N 1 0 243.394 4.232 10 0 BIAERO CCCC[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019231056 169008448 /nfs/dbraw/zinc/00/84/48/169008448.db2.gz MOFRGZCKSWRICB-AWEZNQCLSA-N 1 0 219.372 4.174 10 0 BIAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000019232121 259378020 /nfs/dbraw/zinc/37/80/20/259378020.db2.gz YMLCVSPLCQGHJV-KGLIPLIRSA-N 1 0 219.372 4.080 10 0 BIAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000019232122 259378072 /nfs/dbraw/zinc/37/80/72/259378072.db2.gz YMLCVSPLCQGHJV-KBPBESRZSA-N 1 0 219.372 4.080 10 0 BIAERO CC(C)(C)c1ccc([C@@H]([NH3+])c2ccccc2)cc1 ZINC000019804002 187252843 /nfs/dbraw/zinc/25/28/43/187252843.db2.gz NRSCMEQSAAPNOG-INIZCTEOSA-N 1 0 239.362 4.032 10 0 BIAERO Cc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2)cc1C ZINC000019804062 178861864 /nfs/dbraw/zinc/86/18/64/178861864.db2.gz UTVCYRTZUZXISI-HNNXBMFYSA-N 1 0 245.753 4.005 10 0 BIAERO Cc1cccc([C@@H]([NH3+])c2ccc(Cl)cc2)c1C ZINC000019804081 179187037 /nfs/dbraw/zinc/18/70/37/179187037.db2.gz IRPZHAFNXORABP-HNNXBMFYSA-N 1 0 245.753 4.005 10 0 BIAERO Cc1cccc([C@H]([NH3+])c2ccc(Cl)cc2)c1C ZINC000019804082 179199905 /nfs/dbraw/zinc/19/99/05/179199905.db2.gz IRPZHAFNXORABP-OAHLLOKOSA-N 1 0 245.753 4.005 10 0 BIAERO CC[C@H](c1ccccc1)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000019804193 171600096 /nfs/dbraw/zinc/60/00/96/171600096.db2.gz FWWGUBBUIZLMII-SJORKVTESA-N 1 0 239.362 4.189 10 0 BIAERO c1ccc2c(c1)Cc1cc([C@@H]3CCCC[NH2+]3)ccc1-2 ZINC000019808177 183450950 /nfs/dbraw/zinc/45/09/50/183450950.db2.gz KVMFOMCBRVNWTE-SFHVURJKSA-N 1 0 249.357 4.072 10 0 BIAERO [NH3+][C@@H](CCC1CCCCC1)c1cccs1 ZINC000019842189 181543286 /nfs/dbraw/zinc/54/32/86/181543286.db2.gz GYGUODYJSZMBLL-LBPRGKRZSA-N 1 0 223.385 4.108 10 0 BIAERO Cc1ccc(Oc2ccccc2[C@@H](C)[NH3+])c(C)c1 ZINC000019873500 178820666 /nfs/dbraw/zinc/82/06/66/178820666.db2.gz XPZDTQRBNCNTLN-CYBMUJFWSA-N 1 0 241.334 4.115 10 0 BIAERO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2)c(C)c1 ZINC000019873504 178821319 /nfs/dbraw/zinc/82/13/19/178821319.db2.gz GVSMWMNOTNJDAV-CYBMUJFWSA-N 1 0 241.334 4.115 10 0 BIAERO C[C@@H]([NH3+])c1ccccc1Oc1ccccc1Cl ZINC000019873575 175819363 /nfs/dbraw/zinc/81/93/63/175819363.db2.gz WKIYWHLOHKYQQE-SNVBAGLBSA-N 1 0 247.725 4.152 10 0 BIAERO C[C@H]([NH3+])c1ccccc1Oc1ccccc1Cl ZINC000019873576 176778081 /nfs/dbraw/zinc/77/80/81/176778081.db2.gz WKIYWHLOHKYQQE-JTQLQIEISA-N 1 0 247.725 4.152 10 0 BIAERO C[C@@H]([NH3+])c1ccccc1Oc1ccc(Cl)cc1 ZINC000019873588 187590039 /nfs/dbraw/zinc/59/00/39/187590039.db2.gz IBCFPWBRUKFPJZ-SNVBAGLBSA-N 1 0 247.725 4.152 10 0 BIAERO Cc1ccc(Oc2ccccc2[C@H](C)[NH3+])cc1C ZINC000019873613 178820557 /nfs/dbraw/zinc/82/05/57/178820557.db2.gz RABQJBXTYMWDES-ZDUSSCGKSA-N 1 0 241.334 4.115 10 0 BIAERO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2)cc1C ZINC000019873618 178820879 /nfs/dbraw/zinc/82/08/79/178820879.db2.gz UKPYMDMXCSGCID-CYBMUJFWSA-N 1 0 241.334 4.115 10 0 BIAERO Cc1cc(C)cc(Oc2ccccc2[C@@H](C)[NH3+])c1 ZINC000019873621 177913761 /nfs/dbraw/zinc/91/37/61/177913761.db2.gz VVCZDKZMMQRDAB-CYBMUJFWSA-N 1 0 241.334 4.115 10 0 BIAERO Cc1cc(C)cc(Oc2ccccc2[C@H](C)[NH3+])c1 ZINC000019873622 177913392 /nfs/dbraw/zinc/91/33/92/177913392.db2.gz VVCZDKZMMQRDAB-ZDUSSCGKSA-N 1 0 241.334 4.115 10 0 BIAERO Cc1cc(C)cc(Oc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000019873627 177914022 /nfs/dbraw/zinc/91/40/22/177914022.db2.gz CGPAOOKRQCWKBM-ZDUSSCGKSA-N 1 0 241.334 4.115 10 0 BIAERO C[C@@H]([NH3+])c1ccccc1Oc1cccc(Cl)c1 ZINC000019873696 175818980 /nfs/dbraw/zinc/81/89/80/175818980.db2.gz NXIBMVZBZLTMEA-SNVBAGLBSA-N 1 0 247.725 4.152 10 0 BIAERO C[C@H]([NH3+])c1ccccc1Oc1cccc(Cl)c1 ZINC000019873697 176778605 /nfs/dbraw/zinc/77/86/05/176778605.db2.gz NXIBMVZBZLTMEA-JTQLQIEISA-N 1 0 247.725 4.152 10 0 BIAERO Cc1ccc(Sc2ccccc2[C@H](C)[NH3+])cc1 ZINC000019873901 178830155 /nfs/dbraw/zinc/83/01/55/178830155.db2.gz FBHZPFACUTZTRG-LBPRGKRZSA-N 1 0 243.375 4.166 10 0 BIAERO CCc1c2ccccc2oc1[C@H](C)[NH2+]C(C)C ZINC000019880872 171744694 /nfs/dbraw/zinc/74/46/94/171744694.db2.gz CAPWEPTUUTXKKX-NSHDSACASA-N 1 0 231.339 4.054 10 0 BIAERO C[C@@H]([NH2+]C1CCCC1)c1ccc2ccccc2c1 ZINC000019883449 385161179 /nfs/dbraw/zinc/16/11/79/385161179.db2.gz DZZDFTWIZBZFAX-CYBMUJFWSA-N 1 0 239.362 4.433 10 0 BIAERO C[C@H]([NH2+]C1CCCC1)c1ccc2ccccc2c1 ZINC000019883450 385162417 /nfs/dbraw/zinc/16/24/17/385162417.db2.gz DZZDFTWIZBZFAX-ZDUSSCGKSA-N 1 0 239.362 4.433 10 0 BIAERO CCc1c2ccccc2oc1[C@H](C)[NH2+]CC1CC1 ZINC000019884980 171745124 /nfs/dbraw/zinc/74/51/24/171745124.db2.gz PDVWJOHHVNDFAX-NSHDSACASA-N 1 0 243.350 4.056 10 0 BIAERO CCCCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000019901478 259385269 /nfs/dbraw/zinc/38/52/69/259385269.db2.gz NPOXDDORZAIFKL-INIZCTEOSA-N 1 0 243.350 4.149 10 0 BIAERO CCCCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000019901479 259385408 /nfs/dbraw/zinc/38/54/08/259385408.db2.gz NPOXDDORZAIFKL-MRXNPFEDSA-N 1 0 243.350 4.149 10 0 BIAERO CC[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(O)cc1 ZINC000019917923 170889809 /nfs/dbraw/zinc/88/98/09/170889809.db2.gz ILCOCTRKOGZDCN-LDZOIKDWSA-N 1 0 247.382 4.012 10 0 BIAERO CCC[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000019968080 169393976 /nfs/dbraw/zinc/39/39/76/169393976.db2.gz DSGHGAHLZHPGJP-MRXNPFEDSA-N 1 0 225.335 4.154 10 0 BIAERO CC(C)[C@@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000019968116 167422229 /nfs/dbraw/zinc/42/22/29/167422229.db2.gz MUQNBCZYKQTYMR-MRXNPFEDSA-N 1 0 241.334 4.135 10 0 BIAERO CCC[C@@H]([NH3+])c1ccc2[nH]c3ccccc3c2c1 ZINC000019968310 169393991 /nfs/dbraw/zinc/39/39/91/169393991.db2.gz AZLPKBNVTNTPTQ-CQSZACIVSA-N 1 0 238.334 4.121 10 0 BIAERO CC(C)(C)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968825 166602609 /nfs/dbraw/zinc/60/26/09/166602609.db2.gz MCHGYGDFNAJPOY-NSHDSACASA-N 1 0 245.288 4.141 10 0 BIAERO CC[C@@H](C)c1ccc([C@H]([NH3+])CC(F)(F)F)cc1 ZINC000019969937 170805251 /nfs/dbraw/zinc/80/52/51/170805251.db2.gz SVVSHKREFBTMCE-BXKDBHETSA-N 1 0 245.288 4.152 10 0 BIAERO CC[C@@H](C)c1ccc([C@H]([NH3+])C2CCC2)cc1 ZINC000019969945 170805025 /nfs/dbraw/zinc/80/50/25/170805025.db2.gz AAUCUPFZHFUNTC-IAQYHMDHSA-N 1 0 217.356 4.000 10 0 BIAERO CC[C@H](C)c1ccc([C@H]([NH3+])C2CCC2)cc1 ZINC000019969946 171411039 /nfs/dbraw/zinc/41/10/39/171411039.db2.gz AAUCUPFZHFUNTC-XHDPSFHLSA-N 1 0 217.356 4.000 10 0 BIAERO CCC[C@@H]([NH3+])c1ccc([C@@H](C)CC)cc1 ZINC000019969967 169393571 /nfs/dbraw/zinc/39/35/71/169393571.db2.gz LFJCBSLEKSDBPT-SMDDNHRTSA-N 1 0 205.345 4.000 10 0 BIAERO CCC[C@@H]([NH3+])c1ccc([C@H](C)CC)cc1 ZINC000019969969 169394156 /nfs/dbraw/zinc/39/41/56/169394156.db2.gz LFJCBSLEKSDBPT-BXUZGUMPSA-N 1 0 205.345 4.000 10 0 BIAERO CCC[C@H]([NH3+])c1ccc([C@H](C)CC)cc1 ZINC000019969970 169505312 /nfs/dbraw/zinc/50/53/12/169505312.db2.gz LFJCBSLEKSDBPT-RISCZKNCSA-N 1 0 205.345 4.000 10 0 BIAERO Cc1ccc(C)c([C@H]([NH3+])CCC2CCCC2)c1 ZINC000019978940 178501368 /nfs/dbraw/zinc/50/13/68/178501368.db2.gz QFYCCULRINZVOS-MRXNPFEDSA-N 1 0 231.383 4.274 10 0 BIAERO CCC(CC)C[NH2+][C@H](C)CCc1ccccc1 ZINC000019979340 168363535 /nfs/dbraw/zinc/36/35/35/168363535.db2.gz MIUZETKOTMKCGB-CQSZACIVSA-N 1 0 233.399 4.034 10 0 BIAERO CCC(CC)C[NH2+]C1CCCCCCC1 ZINC000019994698 168359801 /nfs/dbraw/zinc/35/98/01/168359801.db2.gz RUUVPJWXJKVLFD-UHFFFAOYSA-N 1 0 211.393 4.125 10 0 BIAERO CCc1ccc([C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000019999235 171833821 /nfs/dbraw/zinc/83/38/21/171833821.db2.gz NVMHVTTTYZVSQC-INIZCTEOSA-N 1 0 231.383 4.219 10 0 BIAERO CCC(C)(C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000020001501 168299221 /nfs/dbraw/zinc/29/92/21/168299221.db2.gz LYLUGXNHYQDTFH-UHFFFAOYSA-N 1 0 233.399 4.262 10 0 BIAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000020004795 177122790 /nfs/dbraw/zinc/12/27/90/177122790.db2.gz UVHHNQYJYPQDMC-SLEUVZQESA-N 1 0 235.346 4.055 10 0 BIAERO C[C@H]([NH2+][C@H]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000020004800 177137627 /nfs/dbraw/zinc/13/76/27/177137627.db2.gz UVHHNQYJYPQDMC-HUBLWGQQSA-N 1 0 235.346 4.055 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000020006927 259394698 /nfs/dbraw/zinc/39/46/98/259394698.db2.gz UYHSAOZKENLATM-MNOVXSKESA-N 1 0 225.763 4.035 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000020006930 259394331 /nfs/dbraw/zinc/39/43/31/259394331.db2.gz UYHSAOZKENLATM-QWRGUYRKSA-N 1 0 225.763 4.035 10 0 BIAERO CCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000020009491 590066580 /nfs/dbraw/zinc/06/65/80/590066580.db2.gz TUPBBLOSIRIEDB-ZDUSSCGKSA-N 1 0 219.372 4.261 10 0 BIAERO CCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000020009494 590067621 /nfs/dbraw/zinc/06/76/21/590067621.db2.gz TUPBBLOSIRIEDB-CYBMUJFWSA-N 1 0 219.372 4.261 10 0 BIAERO CCC1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC000020010064 168521199 /nfs/dbraw/zinc/52/11/99/168521199.db2.gz NLVIHYFJBPDJHC-UHFFFAOYSA-N 1 0 231.383 4.053 10 0 BIAERO C[C@H]([NH2+]C1CCC(C)CC1)c1cccc(F)c1 ZINC000020010730 168164732 /nfs/dbraw/zinc/16/47/32/168164732.db2.gz YLNNPFYGXBCBTC-AVERBVTBSA-N 1 0 235.346 4.055 10 0 BIAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1cccc(F)c1 ZINC000020010733 168165214 /nfs/dbraw/zinc/16/52/14/168165214.db2.gz YLNNPFYGXBCBTC-MQYJIDSJSA-N 1 0 235.346 4.055 10 0 BIAERO CCC(CC)[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000020010741 168406559 /nfs/dbraw/zinc/40/65/59/168406559.db2.gz RKYGBGXMXQYDIZ-HNNXBMFYSA-N 1 0 219.372 4.048 10 0 BIAERO COc1cccc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)c1 ZINC000020011346 175287994 /nfs/dbraw/zinc/28/79/94/175287994.db2.gz ZFPYYIHGMZJUJI-UONOGXRCSA-N 1 0 249.398 4.171 10 0 BIAERO COc1cccc([C@H](C)[NH2+][C@@H](C)CCC(C)C)c1 ZINC000020011349 175293219 /nfs/dbraw/zinc/29/32/19/175293219.db2.gz ZFPYYIHGMZJUJI-KBPBESRZSA-N 1 0 249.398 4.171 10 0 BIAERO COc1cccc([C@@H](C)[NH2+][C@H](C)CCC(C)C)c1 ZINC000020011352 175288108 /nfs/dbraw/zinc/28/81/08/175288108.db2.gz ZFPYYIHGMZJUJI-ZIAGYGMSSA-N 1 0 249.398 4.171 10 0 BIAERO COc1cccc([C@H](C)[NH2+][C@H](C)CCC(C)C)c1 ZINC000020011355 175293681 /nfs/dbraw/zinc/29/36/81/175293681.db2.gz ZFPYYIHGMZJUJI-KGLIPLIRSA-N 1 0 249.398 4.171 10 0 BIAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])CC(C)C)cc1 ZINC000020021472 170805372 /nfs/dbraw/zinc/80/53/72/170805372.db2.gz DDOBCRUZKKUPMH-DOMZBBRYSA-N 1 0 219.372 4.246 10 0 BIAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000020021905 169359968 /nfs/dbraw/zinc/35/99/68/169359968.db2.gz SSPBMJYEZOLKRS-NEPJUHHUSA-N 1 0 239.790 4.427 10 0 BIAERO CCC[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000020021908 169482671 /nfs/dbraw/zinc/48/26/71/169482671.db2.gz SSPBMJYEZOLKRS-RYUDHWBXSA-N 1 0 239.790 4.427 10 0 BIAERO [NH3+]Cc1ccccc1Oc1cccc2ccccc21 ZINC000020076351 187315537 /nfs/dbraw/zinc/31/55/37/187315537.db2.gz MSQDUPIFFNCTGG-UHFFFAOYSA-N 1 0 249.313 4.091 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccco1 ZINC000020124251 342970119 /nfs/dbraw/zinc/97/01/19/342970119.db2.gz RHYIGBDGAXXBAX-WDEREUQCSA-N 1 0 249.741 4.345 10 0 BIAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000020126185 179339411 /nfs/dbraw/zinc/33/94/11/179339411.db2.gz GMZATXHAQPGUCX-STQMWFEESA-N 1 0 245.391 4.468 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000020126216 384581947 /nfs/dbraw/zinc/58/19/47/384581947.db2.gz FKQAAOMVMBVAHK-UONOGXRCSA-N 1 0 243.350 4.308 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000020126217 384580538 /nfs/dbraw/zinc/58/05/38/384580538.db2.gz FKQAAOMVMBVAHK-KBPBESRZSA-N 1 0 243.350 4.308 10 0 BIAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1cccs1 ZINC000020129764 342971139 /nfs/dbraw/zinc/97/11/39/342971139.db2.gz YDJOAHOVWSETEC-RISCZKNCSA-N 1 0 243.375 4.086 10 0 BIAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1cccs1 ZINC000020129766 342971097 /nfs/dbraw/zinc/97/10/97/342971097.db2.gz YDJOAHOVWSETEC-FZMZJTMJSA-N 1 0 243.375 4.086 10 0 BIAERO Cc1cccc(C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000020134199 179099446 /nfs/dbraw/zinc/09/94/46/179099446.db2.gz RVVLSQOXCIAVAC-OAHLLOKOSA-N 1 0 239.362 4.154 10 0 BIAERO Cc1cccc(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000020134203 179098674 /nfs/dbraw/zinc/09/86/74/179098674.db2.gz RVVLSQOXCIAVAC-HNNXBMFYSA-N 1 0 239.362 4.154 10 0 BIAERO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1cccs1 ZINC000020144756 342971672 /nfs/dbraw/zinc/97/16/72/342971672.db2.gz UOWCSTNJMRNEAL-RYUDHWBXSA-N 1 0 249.379 4.013 10 0 BIAERO C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1cccs1 ZINC000020144758 342972120 /nfs/dbraw/zinc/97/21/20/342972120.db2.gz UOWCSTNJMRNEAL-NEPJUHHUSA-N 1 0 249.379 4.013 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1cccs1 ZINC000020144760 342972201 /nfs/dbraw/zinc/97/22/01/342972201.db2.gz UOWCSTNJMRNEAL-NWDGAFQWSA-N 1 0 249.379 4.013 10 0 BIAERO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1cccs1 ZINC000020144762 342972097 /nfs/dbraw/zinc/97/20/97/342972097.db2.gz UOWCSTNJMRNEAL-VXGBXAGGSA-N 1 0 249.379 4.013 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccc(F)c1 ZINC000020147860 342972042 /nfs/dbraw/zinc/97/20/42/342972042.db2.gz AKSGPGZVMUUFFH-MNOVXSKESA-N 1 0 249.354 4.299 10 0 BIAERO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1cccs1 ZINC000020147861 384586649 /nfs/dbraw/zinc/58/66/49/384586649.db2.gz AKSGPGZVMUUFFH-QWRGUYRKSA-N 1 0 249.354 4.299 10 0 BIAERO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1cccs1 ZINC000020147862 342972106 /nfs/dbraw/zinc/97/21/06/342972106.db2.gz AKSGPGZVMUUFFH-GHMZBOCLSA-N 1 0 249.354 4.299 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1cccs1 ZINC000020147863 342972110 /nfs/dbraw/zinc/97/21/10/342972110.db2.gz AKSGPGZVMUUFFH-WDEREUQCSA-N 1 0 249.354 4.299 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)o1 ZINC000020147892 259389774 /nfs/dbraw/zinc/38/97/74/259389774.db2.gz XLEXDALXZUHEDS-NEPJUHHUSA-N 1 0 247.313 4.139 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)o1 ZINC000020147893 259389761 /nfs/dbraw/zinc/38/97/61/259389761.db2.gz XLEXDALXZUHEDS-RYUDHWBXSA-N 1 0 247.313 4.139 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)o1 ZINC000020147894 259389848 /nfs/dbraw/zinc/38/98/48/259389848.db2.gz XLEXDALXZUHEDS-VXGBXAGGSA-N 1 0 247.313 4.139 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)o1 ZINC000020147895 259389916 /nfs/dbraw/zinc/38/99/16/259389916.db2.gz XLEXDALXZUHEDS-NWDGAFQWSA-N 1 0 247.313 4.139 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccs1 ZINC000020148283 347412794 /nfs/dbraw/zinc/41/27/94/347412794.db2.gz DGWVEABEWMXZCW-AOOOYVTPSA-N 1 0 237.393 4.221 10 0 BIAERO C[C@H]([NH2+][C@@H](C)c1cccs1)c1cccs1 ZINC000020148284 385422110 /nfs/dbraw/zinc/42/21/10/385422110.db2.gz DGWVEABEWMXZCW-UWVGGRQHSA-N 1 0 237.393 4.221 10 0 BIAERO C[C@@H]([NH2+][C@H](C)c1cccs1)c1cccs1 ZINC000020148285 347412609 /nfs/dbraw/zinc/41/26/09/347412609.db2.gz DGWVEABEWMXZCW-NXEZZACHSA-N 1 0 237.393 4.221 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)o1 ZINC000020148314 178848251 /nfs/dbraw/zinc/84/82/51/178848251.db2.gz LGIYLSNHOYHAFL-MNOVXSKESA-N 1 0 235.352 4.061 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)o1 ZINC000020148315 384586734 /nfs/dbraw/zinc/58/67/34/384586734.db2.gz LGIYLSNHOYHAFL-QWRGUYRKSA-N 1 0 235.352 4.061 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)o1 ZINC000020148316 384585585 /nfs/dbraw/zinc/58/55/85/384585585.db2.gz LGIYLSNHOYHAFL-GHMZBOCLSA-N 1 0 235.352 4.061 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)o1 ZINC000020148317 384585652 /nfs/dbraw/zinc/58/56/52/384585652.db2.gz LGIYLSNHOYHAFL-WDEREUQCSA-N 1 0 235.352 4.061 10 0 BIAERO CCCCCC[NH2+]CCC1=CCCCC1 ZINC000020361603 168667198 /nfs/dbraw/zinc/66/71/98/168667198.db2.gz DXWMCJOJSASIRR-UHFFFAOYSA-N 1 0 209.377 4.047 10 0 BIAERO C[C@H]([NH3+])c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000020391142 176775767 /nfs/dbraw/zinc/77/57/67/176775767.db2.gz FAJUSYIYLQWAMZ-JTQLQIEISA-N 1 0 231.726 4.027 10 0 BIAERO Cc1ccccc1[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000020391579 179343113 /nfs/dbraw/zinc/34/31/13/179343113.db2.gz SELBVYIDUBWBAO-QGZVFWFLSA-N 1 0 239.362 4.167 10 0 BIAERO Cc1ccccc1[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000020391582 179325413 /nfs/dbraw/zinc/32/54/13/179325413.db2.gz SELBVYIDUBWBAO-KRWDZBQOSA-N 1 0 239.362 4.167 10 0 BIAERO CC(C)Oc1ccc([C@@H]([NH3+])C2CCCCC2)cc1 ZINC000020434803 167300028 /nfs/dbraw/zinc/30/00/28/167300028.db2.gz GRLUYXWVMIOXRZ-INIZCTEOSA-N 1 0 247.382 4.054 10 0 BIAERO CC(C)Oc1ccc([C@H]([NH3+])C2CCCCC2)cc1 ZINC000020434804 167301278 /nfs/dbraw/zinc/30/12/78/167301278.db2.gz GRLUYXWVMIOXRZ-MRXNPFEDSA-N 1 0 247.382 4.054 10 0 BIAERO Cc1cc([C@@H](C)[NH2+]CCC2=CCCCC2)c(C)o1 ZINC000020438501 178224507 /nfs/dbraw/zinc/22/45/07/178224507.db2.gz KZMZLWJISOGXQE-CYBMUJFWSA-N 1 0 247.382 4.438 10 0 BIAERO Cc1cc([C@H](C)[NH2+]CCC2=CCCCC2)c(C)o1 ZINC000020438504 178247073 /nfs/dbraw/zinc/24/70/73/178247073.db2.gz KZMZLWJISOGXQE-ZDUSSCGKSA-N 1 0 247.382 4.438 10 0 BIAERO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccs2)c(C)o1 ZINC000020439261 178257149 /nfs/dbraw/zinc/25/71/49/178257149.db2.gz LNQWECFQEQLTIW-WDEREUQCSA-N 1 0 249.379 4.370 10 0 BIAERO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccs2)c(C)o1 ZINC000020439266 178253559 /nfs/dbraw/zinc/25/35/59/178253559.db2.gz LNQWECFQEQLTIW-QWRGUYRKSA-N 1 0 249.379 4.370 10 0 BIAERO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccs2)c(C)o1 ZINC000020439270 178232481 /nfs/dbraw/zinc/23/24/81/178232481.db2.gz LNQWECFQEQLTIW-GHMZBOCLSA-N 1 0 249.379 4.370 10 0 BIAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccs2)c(C)o1 ZINC000020439274 178231105 /nfs/dbraw/zinc/23/11/05/178231105.db2.gz LNQWECFQEQLTIW-MNOVXSKESA-N 1 0 249.379 4.370 10 0 BIAERO CCCCC[C@@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000020481418 168740572 /nfs/dbraw/zinc/74/05/72/168740572.db2.gz CUFIVINCSZGBGZ-MRXNPFEDSA-N 1 0 231.383 4.146 10 0 BIAERO CCCCC[C@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000020481420 168744532 /nfs/dbraw/zinc/74/45/32/168744532.db2.gz CUFIVINCSZGBGZ-INIZCTEOSA-N 1 0 231.383 4.146 10 0 BIAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1ccc(CC)cc1 ZINC000020482411 168960964 /nfs/dbraw/zinc/96/09/64/168960964.db2.gz ASJNCGVVJQVYTI-GDBMZVCRSA-N 1 0 233.399 4.465 10 0 BIAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc(CC)cc1 ZINC000020482413 169000997 /nfs/dbraw/zinc/00/09/97/169000997.db2.gz ASJNCGVVJQVYTI-GOEBONIOSA-N 1 0 233.399 4.465 10 0 BIAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc(CC)cc1 ZINC000020482418 169000541 /nfs/dbraw/zinc/00/05/41/169000541.db2.gz ASJNCGVVJQVYTI-HOCLYGCPSA-N 1 0 233.399 4.465 10 0 BIAERO CCCCCC[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020516982 168678818 /nfs/dbraw/zinc/67/88/18/168678818.db2.gz OTQDEFNDYUYLGD-UONOGXRCSA-N 1 0 249.398 4.444 10 0 BIAERO CCCCCC[C@@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020516983 168675933 /nfs/dbraw/zinc/67/59/33/168675933.db2.gz OTQDEFNDYUYLGD-KGLIPLIRSA-N 1 0 249.398 4.444 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000020522522 167384666 /nfs/dbraw/zinc/38/46/66/167384666.db2.gz DPIXQFPMPAZCCQ-KGLIPLIRSA-N 1 0 245.410 4.261 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000020522523 187762633 /nfs/dbraw/zinc/76/26/33/187762633.db2.gz DPIXQFPMPAZCCQ-KBPBESRZSA-N 1 0 245.410 4.261 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000020522525 167385109 /nfs/dbraw/zinc/38/51/09/167385109.db2.gz DPIXQFPMPAZCCQ-ZIAGYGMSSA-N 1 0 245.410 4.261 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020522665 259398699 /nfs/dbraw/zinc/39/86/99/259398699.db2.gz NYNMTMNSGDZPAB-ZJUUUORDSA-N 1 0 243.753 4.174 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020522667 259398561 /nfs/dbraw/zinc/39/85/61/259398561.db2.gz NYNMTMNSGDZPAB-UWVGGRQHSA-N 1 0 243.753 4.174 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020522669 259398612 /nfs/dbraw/zinc/39/86/12/259398612.db2.gz NYNMTMNSGDZPAB-NXEZZACHSA-N 1 0 243.753 4.174 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020522671 259398510 /nfs/dbraw/zinc/39/85/10/259398510.db2.gz NYNMTMNSGDZPAB-VHSXEESVSA-N 1 0 243.753 4.174 10 0 BIAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000020522914 169320568 /nfs/dbraw/zinc/32/05/68/169320568.db2.gz XHCWZCVBSYXDSE-UONOGXRCSA-N 1 0 249.398 4.171 10 0 BIAERO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000020522915 169321230 /nfs/dbraw/zinc/32/12/30/169321230.db2.gz XHCWZCVBSYXDSE-KBPBESRZSA-N 1 0 249.398 4.171 10 0 BIAERO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000020522916 169320933 /nfs/dbraw/zinc/32/09/33/169320933.db2.gz XHCWZCVBSYXDSE-ZIAGYGMSSA-N 1 0 249.398 4.171 10 0 BIAERO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000020522918 169322638 /nfs/dbraw/zinc/32/26/38/169322638.db2.gz XHCWZCVBSYXDSE-KGLIPLIRSA-N 1 0 249.398 4.171 10 0 BIAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(C)C)c(C)c1 ZINC000020522995 177874597 /nfs/dbraw/zinc/87/45/97/177874597.db2.gz PXVZQQCVCZIHEE-GJZGRUSLSA-N 1 0 233.399 4.307 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1cccc(Cl)c1 ZINC000020523189 538931849 /nfs/dbraw/zinc/93/18/49/538931849.db2.gz MKOCDCUIUJKGKJ-SMDDNHRTSA-N 1 0 239.790 4.425 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)C(C)C)c1cccc(Cl)c1 ZINC000020523191 538931974 /nfs/dbraw/zinc/93/19/74/538931974.db2.gz MKOCDCUIUJKGKJ-FZMZJTMJSA-N 1 0 239.790 4.425 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)C(C)C)c1cccc(Cl)c1 ZINC000020523193 538931682 /nfs/dbraw/zinc/93/16/82/538931682.db2.gz MKOCDCUIUJKGKJ-BXUZGUMPSA-N 1 0 239.790 4.425 10 0 BIAERO CC[C@H]([NH2+][C@H](C)C(C)C)c1cccc(Cl)c1 ZINC000020523195 538931921 /nfs/dbraw/zinc/93/19/21/538931921.db2.gz MKOCDCUIUJKGKJ-RISCZKNCSA-N 1 0 239.790 4.425 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000020523324 167383629 /nfs/dbraw/zinc/38/36/29/167383629.db2.gz NYBUUWKWBWVASV-CZUORRHYSA-N 1 0 231.383 4.088 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000020523328 167385719 /nfs/dbraw/zinc/38/57/19/167385719.db2.gz NYBUUWKWBWVASV-CJNGLKHVSA-N 1 0 231.383 4.088 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000020523330 187590731 /nfs/dbraw/zinc/59/07/31/187590731.db2.gz NYBUUWKWBWVASV-BBRMVZONSA-N 1 0 231.383 4.088 10 0 BIAERO CC[C@H](C)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000020525522 171346945 /nfs/dbraw/zinc/34/69/45/171346945.db2.gz FGVKMUBPHYOHAT-SWLSCSKDSA-N 1 0 231.383 4.187 10 0 BIAERO CC[C@H](C)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000020525524 171348460 /nfs/dbraw/zinc/34/84/60/171348460.db2.gz FGVKMUBPHYOHAT-WFASDCNBSA-N 1 0 231.383 4.187 10 0 BIAERO CC(C)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000020525525 167011766 /nfs/dbraw/zinc/01/17/66/167011766.db2.gz VWMOIYAWNGMKIH-OAHLLOKOSA-N 1 0 231.383 4.045 10 0 BIAERO CC(C)C[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000020525526 167014943 /nfs/dbraw/zinc/01/49/43/167014943.db2.gz VWMOIYAWNGMKIH-HNNXBMFYSA-N 1 0 231.383 4.045 10 0 BIAERO CCCC(CCC)[NH2+][C@@H]1CCCc2occc21 ZINC000020545044 168583624 /nfs/dbraw/zinc/58/36/24/168583624.db2.gz FFSLZLTWRGBPQE-CQSZACIVSA-N 1 0 235.371 4.215 10 0 BIAERO CCCC(CCC)[NH2+][C@H]1CCCc2occc21 ZINC000020545045 168583746 /nfs/dbraw/zinc/58/37/46/168583746.db2.gz FFSLZLTWRGBPQE-AWEZNQCLSA-N 1 0 235.371 4.215 10 0 BIAERO CCc1ccc([C@@H]([NH2+]CC(C)C)C(C)C)cc1 ZINC000020545546 171835135 /nfs/dbraw/zinc/83/51/35/171835135.db2.gz AHLKPOGXMRSIEU-INIZCTEOSA-N 1 0 233.399 4.192 10 0 BIAERO CCc1ccc([C@H]([NH2+]CC(C)C)C(C)C)cc1 ZINC000020545547 171843412 /nfs/dbraw/zinc/84/34/12/171843412.db2.gz AHLKPOGXMRSIEU-MRXNPFEDSA-N 1 0 233.399 4.192 10 0 BIAERO CC(C)Cc1ccc([C@@H]([NH3+])C2CCCCC2)cc1 ZINC000020546720 188463776 /nfs/dbraw/zinc/46/37/76/188463776.db2.gz CTGQSVUAPZFLOD-KRWDZBQOSA-N 1 0 245.410 4.465 10 0 BIAERO CC(C)Cc1ccc([C@H]([NH3+])C2CCCCC2)cc1 ZINC000020546721 188282326 /nfs/dbraw/zinc/28/23/26/188282326.db2.gz CTGQSVUAPZFLOD-QGZVFWFLSA-N 1 0 245.410 4.465 10 0 BIAERO CCCOc1ccc([C@@H](C)[NH2+]CCC(C)C)cc1 ZINC000020547988 169320902 /nfs/dbraw/zinc/32/09/02/169320902.db2.gz GKSSPIKJWVJIAE-CQSZACIVSA-N 1 0 249.398 4.172 10 0 BIAERO CCCOc1ccc([C@H](C)[NH2+]CCC(C)C)cc1 ZINC000020547990 169321228 /nfs/dbraw/zinc/32/12/28/169321228.db2.gz GKSSPIKJWVJIAE-AWEZNQCLSA-N 1 0 249.398 4.172 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020549859 167383111 /nfs/dbraw/zinc/38/31/11/167383111.db2.gz XOMGAACPRSHCDE-RBABLOILSA-N 1 0 249.442 4.225 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020549861 188282361 /nfs/dbraw/zinc/28/23/61/188282361.db2.gz XOMGAACPRSHCDE-UYYLIRDPSA-N 1 0 249.442 4.225 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020549863 167386193 /nfs/dbraw/zinc/38/61/93/167386193.db2.gz XOMGAACPRSHCDE-HAWGNNMYSA-N 1 0 249.442 4.225 10 0 BIAERO c1ccc(CCC[NH2+]CCC2=CCCCC2)cc1 ZINC000020550183 187591081 /nfs/dbraw/zinc/59/10/81/187591081.db2.gz VVWWAHHKOFYHLO-UHFFFAOYSA-N 1 0 243.394 4.099 10 0 BIAERO CC[C@H](C)C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020550702 171285867 /nfs/dbraw/zinc/28/58/67/171285867.db2.gz JWBFLUBHXPLEDY-UYYLIRDPSA-N 1 0 249.442 4.227 10 0 BIAERO CC[C@H](C)C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020550710 171286500 /nfs/dbraw/zinc/28/65/00/171286500.db2.gz JWBFLUBHXPLEDY-XOMSLVIASA-N 1 0 249.442 4.227 10 0 BIAERO CC[C@@H](C)[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000020552223 170796437 /nfs/dbraw/zinc/79/64/37/170796437.db2.gz MZIYEKJDVYFSRB-DYVFJYSZSA-N 1 0 239.362 4.400 10 0 BIAERO CC[C@H](C)[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000020552224 171396838 /nfs/dbraw/zinc/39/68/38/171396838.db2.gz MZIYEKJDVYFSRB-GUYCJALGSA-N 1 0 239.362 4.400 10 0 BIAERO CC(C)(C)c1ccc([C@@H]([NH3+])C2CCCC2)cc1 ZINC000020552596 188108756 /nfs/dbraw/zinc/10/87/56/188108756.db2.gz RQJKZUVMYVDYNG-HNNXBMFYSA-N 1 0 231.383 4.174 10 0 BIAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccccc1F ZINC000020552599 176896965 /nfs/dbraw/zinc/89/69/65/176896965.db2.gz WYYMRNUEWYWOSF-RSUWNVLCSA-N 1 0 249.373 4.301 10 0 BIAERO CCCCc1ccc([C@H]([NH3+])CCCC)cc1 ZINC000020552705 169023310 /nfs/dbraw/zinc/02/33/10/169023310.db2.gz GQSQPWLNQJFKPK-OAHLLOKOSA-N 1 0 219.372 4.219 10 0 BIAERO CCCCc1ccc([C@@H]([NH3+])CCCC)cc1 ZINC000020552706 169022256 /nfs/dbraw/zinc/02/22/56/169022256.db2.gz GQSQPWLNQJFKPK-HNNXBMFYSA-N 1 0 219.372 4.219 10 0 BIAERO CC(C)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000020553149 166822534 /nfs/dbraw/zinc/82/25/34/166822534.db2.gz NTOZIJGOUZQOGE-ZIAGYGMSSA-N 1 0 249.398 4.258 10 0 BIAERO CC(C)CCC[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000020553150 166824927 /nfs/dbraw/zinc/82/49/27/166824927.db2.gz NTOZIJGOUZQOGE-UONOGXRCSA-N 1 0 249.398 4.258 10 0 BIAERO CCC[C@@H](C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000020556465 169369487 /nfs/dbraw/zinc/36/94/87/169369487.db2.gz CMGSEZGREBKPAX-ODIFPOPNSA-N 1 0 245.410 4.491 10 0 BIAERO CCC(CC)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020557365 168391845 /nfs/dbraw/zinc/39/18/45/168391845.db2.gz BFMODGKDIHVZOJ-ORVZXPRGSA-N 1 0 249.442 4.370 10 0 BIAERO CCC(CC)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020557367 168392620 /nfs/dbraw/zinc/39/26/20/168392620.db2.gz BFMODGKDIHVZOJ-JISDDCRVSA-N 1 0 249.442 4.370 10 0 BIAERO CC[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(F)cc1 ZINC000020557479 170889959 /nfs/dbraw/zinc/88/99/59/170889959.db2.gz QBBUEDQVCVLTNH-VDSRIPIWSA-N 1 0 249.373 4.445 10 0 BIAERO CC(C)COc1ccc([C@@H](C)[NH2+]C(C)(C)C)cc1 ZINC000020558941 188463335 /nfs/dbraw/zinc/46/33/35/188463335.db2.gz OUXVNJRFUGCOQM-CYBMUJFWSA-N 1 0 249.398 4.171 10 0 BIAERO CC(C)COc1ccc([C@H](C)[NH2+]C(C)(C)C)cc1 ZINC000020558943 188108692 /nfs/dbraw/zinc/10/86/92/188108692.db2.gz OUXVNJRFUGCOQM-ZDUSSCGKSA-N 1 0 249.398 4.171 10 0 BIAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000020565968 176081804 /nfs/dbraw/zinc/08/18/04/176081804.db2.gz ARIXSBRNEFCNTM-XOKHGSTOSA-N 1 0 243.394 4.232 10 0 BIAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000020565969 177083685 /nfs/dbraw/zinc/08/36/85/177083685.db2.gz ARIXSBRNEFCNTM-RRQGHBQHSA-N 1 0 243.394 4.232 10 0 BIAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000020565970 176089582 /nfs/dbraw/zinc/08/95/82/176089582.db2.gz ARIXSBRNEFCNTM-KBRIMQKVSA-N 1 0 243.394 4.232 10 0 BIAERO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000020565971 177089031 /nfs/dbraw/zinc/08/90/31/177089031.db2.gz ARIXSBRNEFCNTM-IAOVAPTHSA-N 1 0 243.394 4.232 10 0 BIAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCc1ccccc1 ZINC000021007954 176113829 /nfs/dbraw/zinc/11/38/29/176113829.db2.gz JDELXVBZUQTRGQ-HUUCEWRRSA-N 1 0 245.410 4.034 10 0 BIAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCCc1ccccc1 ZINC000021007956 177114022 /nfs/dbraw/zinc/11/40/22/177114022.db2.gz JDELXVBZUQTRGQ-FKEKPDDDSA-N 1 0 245.410 4.034 10 0 BIAERO C[C@H]1CCC[C@H](C)C1[NH2+]CCCc1ccccc1 ZINC000021007958 177129823 /nfs/dbraw/zinc/12/98/23/177129823.db2.gz JDELXVBZUQTRGQ-GJZGRUSLSA-N 1 0 245.410 4.034 10 0 BIAERO CCCC[C@@H](CC)C[NH2+]C[C@@H](C)CCC ZINC000021008535 168959536 /nfs/dbraw/zinc/95/95/36/168959536.db2.gz INTSPSFMLLSIED-UONOGXRCSA-N 1 0 213.409 4.229 10 0 BIAERO Cc1cccc(C[NH2+][C@H](C)CCCC(C)C)c1 ZINC000021008880 179100233 /nfs/dbraw/zinc/10/02/33/179100233.db2.gz ZXKXWNRYZIOUFT-OAHLLOKOSA-N 1 0 233.399 4.299 10 0 BIAERO Cc1cccc(C[NH2+][C@@H](C)CCCC(C)C)c1 ZINC000021008881 179095942 /nfs/dbraw/zinc/09/59/42/179095942.db2.gz ZXKXWNRYZIOUFT-HNNXBMFYSA-N 1 0 233.399 4.299 10 0 BIAERO CCCC[NH2+][C@@H](CCCC)c1ccc(F)cc1 ZINC000021009363 168873918 /nfs/dbraw/zinc/87/39/18/168873918.db2.gz ALQKWEBGBGUEFZ-HNNXBMFYSA-N 1 0 237.362 4.447 10 0 BIAERO CC(C)C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000021011184 167013768 /nfs/dbraw/zinc/01/37/68/167013768.db2.gz XYUFOCDXOHZDKR-CQSZACIVSA-N 1 0 233.399 4.192 10 0 BIAERO CCC(CC)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000021011739 168391552 /nfs/dbraw/zinc/39/15/52/168391552.db2.gz HANFPZXEDSQLQU-LBPRGKRZSA-N 1 0 231.383 4.015 10 0 BIAERO CCC(CC)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000021011740 168392766 /nfs/dbraw/zinc/39/27/66/168392766.db2.gz HANFPZXEDSQLQU-GFCCVEGCSA-N 1 0 231.383 4.015 10 0 BIAERO CC(C)CC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000021012198 166865165 /nfs/dbraw/zinc/86/51/65/166865165.db2.gz IKWOLOVSWPTWTQ-CQSZACIVSA-N 1 0 245.410 4.262 10 0 BIAERO CCCCc1ccc([C@@H]([NH3+])C(CC)CC)cc1 ZINC000021012768 169022322 /nfs/dbraw/zinc/02/23/22/169022322.db2.gz DMFLXHMSRIDOBX-INIZCTEOSA-N 1 0 233.399 4.465 10 0 BIAERO CCCCc1ccc([C@H]([NH3+])C(CC)CC)cc1 ZINC000021012769 169023178 /nfs/dbraw/zinc/02/31/78/169023178.db2.gz DMFLXHMSRIDOBX-MRXNPFEDSA-N 1 0 233.399 4.465 10 0 BIAERO CCC(CC)C[NH2+][C@@H](C)c1ccccc1C ZINC000021012907 371357120 /nfs/dbraw/zinc/35/71/20/371357120.db2.gz GLJNUUSHOHFWOS-ZDUSSCGKSA-N 1 0 219.372 4.082 10 0 BIAERO CCC(CC)C[NH2+][C@H](C)c1ccccc1C ZINC000021012908 371357783 /nfs/dbraw/zinc/35/77/83/371357783.db2.gz GLJNUUSHOHFWOS-CYBMUJFWSA-N 1 0 219.372 4.082 10 0 BIAERO COc1ccccc1[C@@H](C)[NH2+]C1CCCCCC1 ZINC000021013478 259418622 /nfs/dbraw/zinc/41/86/22/259418622.db2.gz JTYVNUGLYFVVHX-CYBMUJFWSA-N 1 0 247.382 4.069 10 0 BIAERO COc1ccccc1[C@H](C)[NH2+]C1CCCCCC1 ZINC000021013479 259418756 /nfs/dbraw/zinc/41/87/56/259418756.db2.gz JTYVNUGLYFVVHX-ZDUSSCGKSA-N 1 0 247.382 4.069 10 0 BIAERO CCC(CC)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000021013786 168391619 /nfs/dbraw/zinc/39/16/19/168391619.db2.gz CFVCJRWKQJSUGA-AWEZNQCLSA-N 1 0 233.399 4.451 10 0 BIAERO CCC(CC)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000021013787 168393088 /nfs/dbraw/zinc/39/30/88/168393088.db2.gz CFVCJRWKQJSUGA-CQSZACIVSA-N 1 0 233.399 4.451 10 0 BIAERO Cc1ccccc1[C@@H](C)[NH2+]CC1CCCCC1 ZINC000021015251 371357159 /nfs/dbraw/zinc/35/71/59/371357159.db2.gz CYASRFBHQFSEIH-CQSZACIVSA-N 1 0 231.383 4.226 10 0 BIAERO Cc1ccccc1[C@H](C)[NH2+]CC1CCCCC1 ZINC000021015252 371357352 /nfs/dbraw/zinc/35/73/52/371357352.db2.gz CYASRFBHQFSEIH-AWEZNQCLSA-N 1 0 231.383 4.226 10 0 BIAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000021016104 179339622 /nfs/dbraw/zinc/33/96/22/179339622.db2.gz PBHNPYIHHBNLBB-DZKIICNBSA-N 1 0 231.383 4.224 10 0 BIAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000021016112 179339340 /nfs/dbraw/zinc/33/93/40/179339340.db2.gz PBHNPYIHHBNLBB-OFQRWUPVSA-N 1 0 231.383 4.224 10 0 BIAERO CCC(CC)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000021016217 168387278 /nfs/dbraw/zinc/38/72/78/168387278.db2.gz DWHAXPKFIUHFLI-UHFFFAOYSA-N 1 0 245.410 4.491 10 0 BIAERO CCCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000021017505 590163897 /nfs/dbraw/zinc/16/38/97/590163897.db2.gz VKMJJJIJDUHUND-ZDUSSCGKSA-N 1 0 227.351 4.291 10 0 BIAERO CCCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000021017509 590164014 /nfs/dbraw/zinc/16/40/14/590164014.db2.gz VKMJJJIJDUHUND-CYBMUJFWSA-N 1 0 227.351 4.291 10 0 BIAERO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1Cl ZINC000021018274 259419065 /nfs/dbraw/zinc/41/90/65/259419065.db2.gz OZQQVKCLICGAAG-OLZOCXBDSA-N 1 0 249.785 4.347 10 0 BIAERO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1Cl ZINC000021018278 259419040 /nfs/dbraw/zinc/41/90/40/259419040.db2.gz OZQQVKCLICGAAG-STQMWFEESA-N 1 0 249.785 4.347 10 0 BIAERO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1Cl ZINC000021018282 386207503 /nfs/dbraw/zinc/20/75/03/386207503.db2.gz OZQQVKCLICGAAG-CHWSQXEVSA-N 1 0 249.785 4.347 10 0 BIAERO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1Cl ZINC000021018286 386208463 /nfs/dbraw/zinc/20/84/63/386208463.db2.gz OZQQVKCLICGAAG-QWHCGFSZSA-N 1 0 249.785 4.347 10 0 BIAERO COc1ccc([C@@H]([NH3+])CCC2CCCCC2)cc1 ZINC000021019379 175179539 /nfs/dbraw/zinc/17/95/39/175179539.db2.gz MWCHZQCHLSJSRA-INIZCTEOSA-N 1 0 247.382 4.056 10 0 BIAERO COc1ccc([C@H]([NH3+])CCC2CCCCC2)cc1 ZINC000021019382 175192347 /nfs/dbraw/zinc/19/23/47/175192347.db2.gz MWCHZQCHLSJSRA-MRXNPFEDSA-N 1 0 247.382 4.056 10 0 BIAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000021023545 386213386 /nfs/dbraw/zinc/21/33/86/386213386.db2.gz GVRODHGQEKSKPN-NEPJUHHUSA-N 1 0 239.790 4.425 10 0 BIAERO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000021023552 386213126 /nfs/dbraw/zinc/21/31/26/386213126.db2.gz GVRODHGQEKSKPN-RYUDHWBXSA-N 1 0 239.790 4.425 10 0 BIAERO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000021028139 179099809 /nfs/dbraw/zinc/09/98/09/179099809.db2.gz NYEBUKVWFUGWAO-GDBMZVCRSA-N 1 0 245.410 4.299 10 0 BIAERO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000021028145 179099182 /nfs/dbraw/zinc/09/91/82/179099182.db2.gz NYEBUKVWFUGWAO-GOEBONIOSA-N 1 0 245.410 4.299 10 0 BIAERO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000021028153 187254167 /nfs/dbraw/zinc/25/41/67/187254167.db2.gz NYEBUKVWFUGWAO-ZBFHGGJFSA-N 1 0 245.410 4.299 10 0 BIAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccc(C(C)C)cc1 ZINC000021032174 169393293 /nfs/dbraw/zinc/39/32/93/169393293.db2.gz SWIOYZBHFCFSJI-HZPDHXFCSA-N 1 0 249.398 4.095 10 0 BIAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1ccc(C(C)C)cc1 ZINC000021032187 169392765 /nfs/dbraw/zinc/39/27/65/169392765.db2.gz SWIOYZBHFCFSJI-CVEARBPZSA-N 1 0 249.398 4.095 10 0 BIAERO CC(C)c1cccc(Oc2ccc(C[NH3+])cc2)c1 ZINC000021032562 343140226 /nfs/dbraw/zinc/14/02/26/343140226.db2.gz IWMHQOYYGJUIIG-UHFFFAOYSA-N 1 0 241.334 4.061 10 0 BIAERO CCC(CC)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000021034026 168362514 /nfs/dbraw/zinc/36/25/14/168362514.db2.gz LHTODWQXMDQXOA-NSHDSACASA-N 1 0 239.790 4.427 10 0 BIAERO CCC(CC)[C@@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000021034635 168401061 /nfs/dbraw/zinc/40/10/61/168401061.db2.gz QNECEBISYHHYRW-MRXNPFEDSA-N 1 0 231.383 4.001 10 0 BIAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCC)cc1 ZINC000021040515 169320817 /nfs/dbraw/zinc/32/08/17/169320817.db2.gz NEKKBYCXBWLTDX-UONOGXRCSA-N 1 0 249.398 4.315 10 0 BIAERO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)CCC)cc1 ZINC000021040521 169321386 /nfs/dbraw/zinc/32/13/86/169321386.db2.gz NEKKBYCXBWLTDX-KBPBESRZSA-N 1 0 249.398 4.315 10 0 BIAERO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)CCC)cc1 ZINC000021040528 169320714 /nfs/dbraw/zinc/32/07/14/169320714.db2.gz NEKKBYCXBWLTDX-ZIAGYGMSSA-N 1 0 249.398 4.315 10 0 BIAERO CCCOc1ccc([C@H](C)[NH2+][C@H](C)CCC)cc1 ZINC000021040533 169322475 /nfs/dbraw/zinc/32/24/75/169322475.db2.gz NEKKBYCXBWLTDX-KGLIPLIRSA-N 1 0 249.398 4.315 10 0 BIAERO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000021040813 175686675 /nfs/dbraw/zinc/68/66/75/175686675.db2.gz SQZSMNPYMUMCAZ-ZOBUZTSGSA-N 1 0 245.410 4.176 10 0 BIAERO CC(C)(C)c1ccc([C@H]([NH3+])C(C)(C)C)cc1 ZINC000021044215 187763158 /nfs/dbraw/zinc/76/31/58/187763158.db2.gz HRQXYNALGJJIHI-ZDUSSCGKSA-N 1 0 219.372 4.030 10 0 BIAERO CCC(CC)[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000021046578 168390915 /nfs/dbraw/zinc/39/09/15/168390915.db2.gz WPZPQYRBIAKNNB-AWEZNQCLSA-N 1 0 233.399 4.451 10 0 BIAERO CCC(CC)[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000021046583 168392288 /nfs/dbraw/zinc/39/22/88/168392288.db2.gz WPZPQYRBIAKNNB-CQSZACIVSA-N 1 0 233.399 4.451 10 0 BIAERO CCC[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000021048228 169370982 /nfs/dbraw/zinc/37/09/82/169370982.db2.gz SCYZMSXMRMMGIZ-CABCVRRESA-N 1 0 233.399 4.451 10 0 BIAERO CCC[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000021048236 169371711 /nfs/dbraw/zinc/37/17/11/169371711.db2.gz SCYZMSXMRMMGIZ-HUUCEWRRSA-N 1 0 233.399 4.451 10 0 BIAERO CCC[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000021048242 169494311 /nfs/dbraw/zinc/49/43/11/169494311.db2.gz SCYZMSXMRMMGIZ-LSDHHAIUSA-N 1 0 233.399 4.451 10 0 BIAERO C[C@@H]1C[C@@H]([NH2+]C2CCCCC2)CC(C)(C)C1 ZINC000021049559 538933820 /nfs/dbraw/zinc/93/38/20/538933820.db2.gz UEXRTEWQAUVZFS-TZMCWYRMSA-N 1 0 223.404 4.124 10 0 BIAERO C[C@H]1C[C@@H]([NH2+]C2CCCCC2)CC(C)(C)C1 ZINC000021049563 538933827 /nfs/dbraw/zinc/93/38/27/538933827.db2.gz UEXRTEWQAUVZFS-GXTWGEPZSA-N 1 0 223.404 4.124 10 0 BIAERO C[C@@H]1C[C@H]([NH2+]C2CCCCC2)CC(C)(C)C1 ZINC000021049569 538933568 /nfs/dbraw/zinc/93/35/68/538933568.db2.gz UEXRTEWQAUVZFS-OCCSQVGLSA-N 1 0 223.404 4.124 10 0 BIAERO C[C@H]1C[C@H]([NH2+]C2CCCCC2)CC(C)(C)C1 ZINC000021049575 538933598 /nfs/dbraw/zinc/93/35/98/538933598.db2.gz UEXRTEWQAUVZFS-JSGCOSHPSA-N 1 0 223.404 4.124 10 0 BIAERO CCCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000021050348 590164765 /nfs/dbraw/zinc/16/47/65/590164765.db2.gz MULWVPWPCOFDJV-VIFPVBQESA-N 1 0 246.181 4.444 10 0 BIAERO CCCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000021050353 590164727 /nfs/dbraw/zinc/16/47/27/590164727.db2.gz MULWVPWPCOFDJV-SECBINFHSA-N 1 0 246.181 4.444 10 0 BIAERO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cccc(C)c1 ZINC000021059787 171296342 /nfs/dbraw/zinc/29/63/42/171296342.db2.gz NGGIBSRWVHBIKO-XJKSGUPXSA-N 1 0 233.399 4.299 10 0 BIAERO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cccc(C)c1 ZINC000021059795 171299201 /nfs/dbraw/zinc/29/92/01/171299201.db2.gz NGGIBSRWVHBIKO-BBRMVZONSA-N 1 0 233.399 4.299 10 0 BIAERO CCCC[C@@H]([NH3+])c1ccc([C@@H](C)CC)cc1 ZINC000021499915 168970747 /nfs/dbraw/zinc/97/07/47/168970747.db2.gz UQNDOSKSWRPKOB-SWLSCSKDSA-N 1 0 219.372 4.390 10 0 BIAERO CCCC[C@H]([NH3+])c1ccc([C@@H](C)CC)cc1 ZINC000021499917 169008715 /nfs/dbraw/zinc/00/87/15/169008715.db2.gz UQNDOSKSWRPKOB-WFASDCNBSA-N 1 0 219.372 4.390 10 0 BIAERO CCCC[C@H]([NH3+])c1ccc([C@H](C)CC)cc1 ZINC000021499920 169009612 /nfs/dbraw/zinc/00/96/12/169009612.db2.gz UQNDOSKSWRPKOB-DOMZBBRYSA-N 1 0 219.372 4.390 10 0 BIAERO CCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021501514 590191805 /nfs/dbraw/zinc/19/18/05/590191805.db2.gz IRZBPPKVYLDMPR-VIFPVBQESA-N 1 0 246.181 4.444 10 0 BIAERO CCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021501516 590191556 /nfs/dbraw/zinc/19/15/56/590191556.db2.gz IRZBPPKVYLDMPR-SECBINFHSA-N 1 0 246.181 4.444 10 0 BIAERO CCCC(CCC)[NH2+][C@@H](C)c1cccs1 ZINC000021502289 323099539 /nfs/dbraw/zinc/09/95/39/323099539.db2.gz VLDZDGQJUMKERN-NSHDSACASA-N 1 0 225.401 4.368 10 0 BIAERO CCCC(CCC)[NH2+][C@H](C)c1cccs1 ZINC000021502290 323099532 /nfs/dbraw/zinc/09/95/32/323099532.db2.gz VLDZDGQJUMKERN-LLVKDONJSA-N 1 0 225.401 4.368 10 0 BIAERO CC(C)CC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000021503438 384994437 /nfs/dbraw/zinc/99/44/37/384994437.db2.gz MMBIETNQRKEEPQ-UHFFFAOYSA-N 1 0 233.399 4.120 10 0 BIAERO CCC[C@@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021505460 169370892 /nfs/dbraw/zinc/37/08/92/169370892.db2.gz BNFOVXLSOIAZFC-RBABLOILSA-N 1 0 249.442 4.370 10 0 BIAERO CCC[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021505461 169493847 /nfs/dbraw/zinc/49/38/47/169493847.db2.gz BNFOVXLSOIAZFC-UYYLIRDPSA-N 1 0 249.442 4.370 10 0 BIAERO CCC[C@@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021505463 169371413 /nfs/dbraw/zinc/37/14/13/169371413.db2.gz BNFOVXLSOIAZFC-HAWGNNMYSA-N 1 0 249.442 4.370 10 0 BIAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000021505659 262746922 /nfs/dbraw/zinc/74/69/22/262746922.db2.gz IKKWLWXAQUFCCQ-NEPJUHHUSA-N 1 0 225.401 4.223 10 0 BIAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000021505660 262746845 /nfs/dbraw/zinc/74/68/45/262746845.db2.gz IKKWLWXAQUFCCQ-RYUDHWBXSA-N 1 0 225.401 4.223 10 0 BIAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000021505662 386479811 /nfs/dbraw/zinc/47/98/11/386479811.db2.gz IKKWLWXAQUFCCQ-VXGBXAGGSA-N 1 0 225.401 4.223 10 0 BIAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000021505664 386479774 /nfs/dbraw/zinc/47/97/74/386479774.db2.gz IKKWLWXAQUFCCQ-NWDGAFQWSA-N 1 0 225.401 4.223 10 0 BIAERO CC(C)Cc1ccc([C@H]([NH3+])C2CCCC2)cc1 ZINC000021505853 187254205 /nfs/dbraw/zinc/25/42/05/187254205.db2.gz KGWJPDGNJMOQMS-MRXNPFEDSA-N 1 0 231.383 4.075 10 0 BIAERO CC1CCC([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000021506712 168165562 /nfs/dbraw/zinc/16/55/62/168165562.db2.gz VXASEVQQCNMARC-HXSCFSKGSA-N 1 0 237.431 4.370 10 0 BIAERO CC1CCC([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000021506713 168165702 /nfs/dbraw/zinc/16/57/02/168165702.db2.gz VXASEVQQCNMARC-JYVUQVBGSA-N 1 0 237.431 4.370 10 0 BIAERO CC1CCC([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000021506715 168165211 /nfs/dbraw/zinc/16/52/11/168165211.db2.gz VXASEVQQCNMARC-OOJKYFRXSA-N 1 0 237.431 4.370 10 0 BIAERO CC1CCC([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000021506716 168165078 /nfs/dbraw/zinc/16/50/78/168165078.db2.gz VXASEVQQCNMARC-SHWKFHJASA-N 1 0 237.431 4.370 10 0 BIAERO CCCCc1ccc([C@@H]([NH3+])CC(C)C)cc1 ZINC000021507771 169021541 /nfs/dbraw/zinc/02/15/41/169021541.db2.gz DQHPNDURHIEZFG-HNNXBMFYSA-N 1 0 219.372 4.075 10 0 BIAERO CCCCc1ccc([C@H]([NH3+])CC(C)C)cc1 ZINC000021507773 169022719 /nfs/dbraw/zinc/02/27/19/169022719.db2.gz DQHPNDURHIEZFG-OAHLLOKOSA-N 1 0 219.372 4.075 10 0 BIAERO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(Cl)c1 ZINC000021507927 386481288 /nfs/dbraw/zinc/48/12/88/386481288.db2.gz PARFCAVZSCMOJG-OLZOCXBDSA-N 1 0 249.785 4.347 10 0 BIAERO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(Cl)c1 ZINC000021507929 386481307 /nfs/dbraw/zinc/48/13/07/386481307.db2.gz PARFCAVZSCMOJG-STQMWFEESA-N 1 0 249.785 4.347 10 0 BIAERO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(Cl)c1 ZINC000021507931 259421192 /nfs/dbraw/zinc/42/11/92/259421192.db2.gz PARFCAVZSCMOJG-CHWSQXEVSA-N 1 0 249.785 4.347 10 0 BIAERO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(Cl)c1 ZINC000021507932 259421042 /nfs/dbraw/zinc/42/10/42/259421042.db2.gz PARFCAVZSCMOJG-QWHCGFSZSA-N 1 0 249.785 4.347 10 0 BIAERO CC(C)CC[C@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000021513544 166907296 /nfs/dbraw/zinc/90/72/96/166907296.db2.gz VROIDVXMSBBHNJ-INIZCTEOSA-N 1 0 233.399 4.321 10 0 BIAERO CCCCc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC000021515957 169021944 /nfs/dbraw/zinc/02/19/44/169021944.db2.gz FPZSDZZVEGBPQZ-CQSZACIVSA-N 1 0 233.399 4.336 10 0 BIAERO CCCCc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC000021515959 169023139 /nfs/dbraw/zinc/02/31/39/169023139.db2.gz FPZSDZZVEGBPQZ-AWEZNQCLSA-N 1 0 233.399 4.336 10 0 BIAERO CCCCc1ccc([C@@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000021516107 169021861 /nfs/dbraw/zinc/02/18/61/169021861.db2.gz YREHNMIUQCHFOB-UONOGXRCSA-N 1 0 233.399 4.478 10 0 BIAERO CCCCc1ccc([C@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000021516108 169023122 /nfs/dbraw/zinc/02/31/22/169023122.db2.gz YREHNMIUQCHFOB-KBPBESRZSA-N 1 0 233.399 4.478 10 0 BIAERO CCCCc1ccc([C@@H](C)[NH2+][C@H](C)CC)cc1 ZINC000021516109 169022431 /nfs/dbraw/zinc/02/24/31/169022431.db2.gz YREHNMIUQCHFOB-ZIAGYGMSSA-N 1 0 233.399 4.478 10 0 BIAERO CCCCc1ccc([C@H](C)[NH2+][C@H](C)CC)cc1 ZINC000021516110 169023211 /nfs/dbraw/zinc/02/32/11/169023211.db2.gz YREHNMIUQCHFOB-KGLIPLIRSA-N 1 0 233.399 4.478 10 0 BIAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000021517227 175177475 /nfs/dbraw/zinc/17/74/75/175177475.db2.gz RPWAPXWYMYSDHC-UONOGXRCSA-N 1 0 249.398 4.171 10 0 BIAERO COc1ccc([C@H](C)[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000021517228 175189842 /nfs/dbraw/zinc/18/98/42/175189842.db2.gz RPWAPXWYMYSDHC-KBPBESRZSA-N 1 0 249.398 4.171 10 0 BIAERO COc1ccc([C@@H](C)[NH2+][C@H](C)CCC(C)C)cc1 ZINC000021517229 175177754 /nfs/dbraw/zinc/17/77/54/175177754.db2.gz RPWAPXWYMYSDHC-ZIAGYGMSSA-N 1 0 249.398 4.171 10 0 BIAERO COc1ccc([C@H](C)[NH2+][C@H](C)CCC(C)C)cc1 ZINC000021517230 175189030 /nfs/dbraw/zinc/18/90/30/175189030.db2.gz RPWAPXWYMYSDHC-KGLIPLIRSA-N 1 0 249.398 4.171 10 0 BIAERO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(F)cc1 ZINC000021518386 171296375 /nfs/dbraw/zinc/29/63/75/171296375.db2.gz FQCHHKSTLNIEEN-SWLSCSKDSA-N 1 0 237.362 4.130 10 0 BIAERO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(F)cc1 ZINC000021518387 170854679 /nfs/dbraw/zinc/85/46/79/170854679.db2.gz FQCHHKSTLNIEEN-DOMZBBRYSA-N 1 0 237.362 4.130 10 0 BIAERO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(F)cc1 ZINC000021518388 171298911 /nfs/dbraw/zinc/29/89/11/171298911.db2.gz FQCHHKSTLNIEEN-WFASDCNBSA-N 1 0 237.362 4.130 10 0 BIAERO CCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021519364 590192502 /nfs/dbraw/zinc/19/25/02/590192502.db2.gz RKSVNIZHHFTLEZ-LBPRGKRZSA-N 1 0 219.372 4.045 10 0 BIAERO CCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021519365 590192225 /nfs/dbraw/zinc/19/22/25/590192225.db2.gz RKSVNIZHHFTLEZ-GFCCVEGCSA-N 1 0 219.372 4.045 10 0 BIAERO CCCC[C@@H]([NH2+]CCC)c1ccc(F)cc1 ZINC000021519724 343140175 /nfs/dbraw/zinc/14/01/75/343140175.db2.gz RFEHSNJWTGCRKS-CQSZACIVSA-N 1 0 223.335 4.057 10 0 BIAERO CCCC[C@H]([NH2+]CCC)c1ccc(F)cc1 ZINC000021519725 343140475 /nfs/dbraw/zinc/14/04/75/343140475.db2.gz RFEHSNJWTGCRKS-AWEZNQCLSA-N 1 0 223.335 4.057 10 0 BIAERO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000021794197 385695055 /nfs/dbraw/zinc/69/50/55/385695055.db2.gz JZFQDTXVTKPPJC-OLZOCXBDSA-N 1 0 249.785 4.347 10 0 BIAERO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000021794201 385694849 /nfs/dbraw/zinc/69/48/49/385694849.db2.gz JZFQDTXVTKPPJC-STQMWFEESA-N 1 0 249.785 4.347 10 0 BIAERO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000021794205 385694332 /nfs/dbraw/zinc/69/43/32/385694332.db2.gz JZFQDTXVTKPPJC-CHWSQXEVSA-N 1 0 249.785 4.347 10 0 BIAERO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000021794209 385695249 /nfs/dbraw/zinc/69/52/49/385695249.db2.gz JZFQDTXVTKPPJC-QWHCGFSZSA-N 1 0 249.785 4.347 10 0 BIAERO CCC(CC)[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000021794963 168401326 /nfs/dbraw/zinc/40/13/26/168401326.db2.gz VQNVJZXJJXTZDH-MRXNPFEDSA-N 1 0 233.399 4.321 10 0 BIAERO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000021798806 169370505 /nfs/dbraw/zinc/37/05/05/169370505.db2.gz HEJCBXRLZNDUBZ-KGLIPLIRSA-N 1 0 245.410 4.405 10 0 BIAERO CCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000021798814 169371877 /nfs/dbraw/zinc/37/18/77/169371877.db2.gz HEJCBXRLZNDUBZ-ZIAGYGMSSA-N 1 0 245.410 4.405 10 0 BIAERO Clc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000021804293 180580016 /nfs/dbraw/zinc/58/00/16/180580016.db2.gz FPHGVOIRACWJHC-UHFFFAOYSA-N 1 0 237.774 4.010 10 0 BIAERO CC(C)CCC[C@@H](C)[NH2+]CCc1ccccc1 ZINC000021805202 590234295 /nfs/dbraw/zinc/23/42/95/590234295.db2.gz CXUQFDXLSIDVSL-OAHLLOKOSA-N 1 0 233.399 4.034 10 0 BIAERO CC(C)CCC[C@H](C)[NH2+]CCc1ccccc1 ZINC000021805204 590234215 /nfs/dbraw/zinc/23/42/15/590234215.db2.gz CXUQFDXLSIDVSL-HNNXBMFYSA-N 1 0 233.399 4.034 10 0 BIAERO CC(C)c1ccc([C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000021806834 343742547 /nfs/dbraw/zinc/74/25/47/343742547.db2.gz ZQSKPFLWKLPHNW-CYBMUJFWSA-N 1 0 231.383 4.403 10 0 BIAERO CC(C)c1ccc([C@H](C)[NH2+]C2CCCC2)cc1 ZINC000021806836 343742576 /nfs/dbraw/zinc/74/25/76/343742576.db2.gz ZQSKPFLWKLPHNW-ZDUSSCGKSA-N 1 0 231.383 4.403 10 0 BIAERO C[C@@H]([NH2+]C1CCCC1)c1ccc2c(c1)CCCC2 ZINC000021807018 343742919 /nfs/dbraw/zinc/74/29/19/343742919.db2.gz BICJEIZMLLRFTN-CYBMUJFWSA-N 1 0 243.394 4.159 10 0 BIAERO C[C@H]([NH2+]C1CCCC1)c1ccc2c(c1)CCCC2 ZINC000021807020 343742719 /nfs/dbraw/zinc/74/27/19/343742719.db2.gz BICJEIZMLLRFTN-ZDUSSCGKSA-N 1 0 243.394 4.159 10 0 BIAERO CC(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000021812147 187318868 /nfs/dbraw/zinc/31/88/68/187318868.db2.gz DHIWBOAQLSLHSY-VIFPVBQESA-N 1 0 246.181 4.300 10 0 BIAERO CC(C)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000021812148 167013926 /nfs/dbraw/zinc/01/39/26/167013926.db2.gz DHIWBOAQLSLHSY-SECBINFHSA-N 1 0 246.181 4.300 10 0 BIAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1cccc(C(C)C)c1 ZINC000021812314 169392468 /nfs/dbraw/zinc/39/24/68/169392468.db2.gz MBIXRBLDCOIZQV-HZPDHXFCSA-N 1 0 249.398 4.095 10 0 BIAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1cccc(C(C)C)c1 ZINC000021812316 169392663 /nfs/dbraw/zinc/39/26/63/169392663.db2.gz MBIXRBLDCOIZQV-CVEARBPZSA-N 1 0 249.398 4.095 10 0 BIAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccccc1C(C)C ZINC000021813360 169393061 /nfs/dbraw/zinc/39/30/61/169393061.db2.gz BTOZQNXYHCBODV-HUUCEWRRSA-N 1 0 249.398 4.095 10 0 BIAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1ccccc1C(C)C ZINC000021813362 169393309 /nfs/dbraw/zinc/39/33/09/169393309.db2.gz BTOZQNXYHCBODV-CABCVRRESA-N 1 0 249.398 4.095 10 0 BIAERO CCCC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000021813867 590235345 /nfs/dbraw/zinc/23/53/45/590235345.db2.gz NHOMHNFCGHNALW-ZDUSSCGKSA-N 1 0 231.383 4.016 10 0 BIAERO CCCC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000021813868 590235218 /nfs/dbraw/zinc/23/52/18/590235218.db2.gz NHOMHNFCGHNALW-CYBMUJFWSA-N 1 0 231.383 4.016 10 0 BIAERO CC(C)CC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021819388 166866176 /nfs/dbraw/zinc/86/61/76/166866176.db2.gz YZAJQKNQPAXJSG-CWJHNBGESA-N 1 0 249.442 4.227 10 0 BIAERO CC(C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021819453 259424194 /nfs/dbraw/zinc/42/41/94/259424194.db2.gz CBDQMAFZDZNRNB-AWEZNQCLSA-N 1 0 239.362 4.413 10 0 BIAERO CC(C)[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021819455 385721579 /nfs/dbraw/zinc/72/15/79/385721579.db2.gz CBDQMAFZDZNRNB-CQSZACIVSA-N 1 0 239.362 4.413 10 0 BIAERO CCC[C@@H](CC)C[NH2+]C[C@H](CC)CCC ZINC000022000358 169375400 /nfs/dbraw/zinc/37/54/00/169375400.db2.gz CSKZDALFOFNIIJ-ZIAGYGMSSA-N 1 0 213.409 4.229 10 0 BIAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCc2ccccc21 ZINC000022145891 171296718 /nfs/dbraw/zinc/29/67/18/171296718.db2.gz MIQJOESIZHMWRE-YSVLISHTSA-N 1 0 245.410 4.478 10 0 BIAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCc2ccccc21 ZINC000022145900 171299146 /nfs/dbraw/zinc/29/91/46/171299146.db2.gz MIQJOESIZHMWRE-JLJPHGGASA-N 1 0 245.410 4.478 10 0 BIAERO Cc1ccc([C@@H]([NH3+])CCC2CCCCC2)cc1 ZINC000022146242 178858137 /nfs/dbraw/zinc/85/81/37/178858137.db2.gz YWITVAIRLGUQJA-INIZCTEOSA-N 1 0 231.383 4.355 10 0 BIAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(F)cc1 ZINC000022146666 176896864 /nfs/dbraw/zinc/89/68/64/176896864.db2.gz GKPSUQYLWLFVQZ-RSUWNVLCSA-N 1 0 249.373 4.301 10 0 BIAERO CCCCOc1ccc(C[NH2+]CCC(C)C)cc1 ZINC000022148621 168918156 /nfs/dbraw/zinc/91/81/56/168918156.db2.gz FXSNLNJVTZIKCZ-UHFFFAOYSA-N 1 0 249.398 4.001 10 0 BIAERO CCCC[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000022148859 168971077 /nfs/dbraw/zinc/97/10/77/168971077.db2.gz KLFUXOJXPCFJNC-OAHLLOKOSA-N 1 0 219.372 4.075 10 0 BIAERO CCCC[C@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000022148862 169009325 /nfs/dbraw/zinc/00/93/25/169009325.db2.gz KLFUXOJXPCFJNC-HNNXBMFYSA-N 1 0 219.372 4.075 10 0 BIAERO CSc1ccccc1[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000026722587 344180881 /nfs/dbraw/zinc/18/08/81/344180881.db2.gz WVKRCRZAIOYBQP-TZMCWYRMSA-N 1 0 247.407 4.098 10 0 BIAERO CCCc1ccc([C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC000026727993 344182973 /nfs/dbraw/zinc/18/29/73/344182973.db2.gz GUXZLMJGWRSRDU-IAGOWNOFSA-N 1 0 243.394 4.329 10 0 BIAERO Clc1ccccc1[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000026730603 344183050 /nfs/dbraw/zinc/18/30/50/344183050.db2.gz FCDJIMAQDKBYMB-BXUZGUMPSA-N 1 0 235.758 4.029 10 0 BIAERO CC1(C)CCC[N@@H+]1CC12CC3CC(CC(C3)C1)C2 ZINC000026991807 344208646 /nfs/dbraw/zinc/20/86/46/344208646.db2.gz ARJSFIZQOAKTIG-UHFFFAOYSA-N 1 0 247.426 4.077 10 0 BIAERO C[NH+](C)C1(C23CC4CC(CC(C4)C2)C3)CCCC1 ZINC000026995422 384965923 /nfs/dbraw/zinc/96/59/23/384965923.db2.gz CZNGXPOCJBIUCY-UHFFFAOYSA-N 1 0 247.426 4.077 10 0 BIAERO CC(C)=CC[N@@H+]1CCC[C@H]2C[C@@H]1c1ccccc12 ZINC000027523372 188110571 /nfs/dbraw/zinc/11/05/71/188110571.db2.gz ZJYDZVFRQQXIHX-WMLDXEAASA-N 1 0 241.378 4.277 10 0 BIAERO c1ccc2c(c1)[C@H]1CCCC[C@]21[NH+]1CCCCC1 ZINC000027527044 384035935 /nfs/dbraw/zinc/03/59/35/384035935.db2.gz YSXPXBOBMSADAA-SJORKVTESA-N 1 0 241.378 4.039 10 0 BIAERO c1ccc2c(c1)[C@@H]1CCCC[C@@]21[NH+]1CCCCC1 ZINC000027527045 384034666 /nfs/dbraw/zinc/03/46/66/384034666.db2.gz YSXPXBOBMSADAA-DLBZAZTESA-N 1 0 241.378 4.039 10 0 BIAERO c1ccc2c(c1)[C@@H]1CCCC[C@]21[NH+]1CCCCC1 ZINC000027527046 183454002 /nfs/dbraw/zinc/45/40/02/183454002.db2.gz YSXPXBOBMSADAA-IRXDYDNUSA-N 1 0 241.378 4.039 10 0 BIAERO c1ccc(C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028237336 183390099 /nfs/dbraw/zinc/39/00/99/183390099.db2.gz ZMFMOZGIQRPJEA-UHFFFAOYSA-N 1 0 243.394 4.199 10 0 BIAERO CC[C@@H]1CC[N@@H+]2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000028645479 171027206 /nfs/dbraw/zinc/02/72/06/171027206.db2.gz DMPGKIZUXVPBRQ-DJIMGWMZSA-N 1 0 243.394 4.055 10 0 BIAERO CC[C@H]1CC[N@@H+]2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000028645492 344380506 /nfs/dbraw/zinc/38/05/06/344380506.db2.gz DMPGKIZUXVPBRQ-USXIJHARSA-N 1 0 243.394 4.055 10 0 BIAERO Clc1ccc(/C=[NH+]/CCc2ccccc2)cc1 ZINC000032191725 345741748 /nfs/dbraw/zinc/74/17/48/345741748.db2.gz DXEDQNQOYVPKRF-SFQUDFHCSA-N 1 0 243.737 4.002 10 0 BIAERO [NH3+]C1(c2cc(Cl)ccc2Cl)CCCCC1 ZINC000033487371 181333930 /nfs/dbraw/zinc/33/39/30/181333930.db2.gz ZCMOXYOKIQQAMB-UHFFFAOYSA-N 1 0 244.165 4.112 10 0 BIAERO [NH3+]C1(c2c(Cl)cccc2Cl)CCCCC1 ZINC000033487373 181332063 /nfs/dbraw/zinc/33/20/63/181332063.db2.gz RHGOOCKWPZLICG-UHFFFAOYSA-N 1 0 244.165 4.112 10 0 BIAERO [NH3+]C1(c2cccc(Cl)c2Cl)CCCCC1 ZINC000033487374 181334814 /nfs/dbraw/zinc/33/48/14/181334814.db2.gz RFZBIICFCJLDMH-UHFFFAOYSA-N 1 0 244.165 4.112 10 0 BIAERO [NH3+]C1(c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000033487377 181334106 /nfs/dbraw/zinc/33/41/06/181334106.db2.gz ZDXGZDUWOPMEAP-UHFFFAOYSA-N 1 0 244.165 4.112 10 0 BIAERO CCC[NH+](CCC)C12CC3CC(CC(C3)C1)C2 ZINC000033496149 345800256 /nfs/dbraw/zinc/80/02/56/345800256.db2.gz UCJLRGFERKFOFG-UHFFFAOYSA-N 1 0 235.415 4.077 10 0 BIAERO CC(C)C[NH+](CC(C)C)C(C(C)C)C(C)C ZINC000033604936 398012792 /nfs/dbraw/zinc/01/27/92/398012792.db2.gz PGAQYUJUOZNEOE-UHFFFAOYSA-N 1 0 227.436 4.281 10 0 BIAERO CC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000033867358 343261953 /nfs/dbraw/zinc/26/19/53/343261953.db2.gz JKNUTRCLBCBBJU-AWEZNQCLSA-N 1 0 237.774 4.277 10 0 BIAERO CC[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000033867359 343261974 /nfs/dbraw/zinc/26/19/74/343261974.db2.gz JKNUTRCLBCBBJU-CQSZACIVSA-N 1 0 237.774 4.277 10 0 BIAERO CC(C)C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000033867387 385270160 /nfs/dbraw/zinc/27/01/60/385270160.db2.gz QEABMSMLXZGZMD-INIZCTEOSA-N 1 0 231.383 4.260 10 0 BIAERO CC(C)C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000033867388 385271145 /nfs/dbraw/zinc/27/11/45/385271145.db2.gz QEABMSMLXZGZMD-MRXNPFEDSA-N 1 0 231.383 4.260 10 0 BIAERO CCC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000033867393 385269423 /nfs/dbraw/zinc/26/94/23/385269423.db2.gz YPSXGQVEVYVDBI-HNNXBMFYSA-N 1 0 217.356 4.014 10 0 BIAERO CCC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000033867394 343262069 /nfs/dbraw/zinc/26/20/69/343262069.db2.gz YPSXGQVEVYVDBI-OAHLLOKOSA-N 1 0 217.356 4.014 10 0 BIAERO CCCC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000033867395 343261911 /nfs/dbraw/zinc/26/19/11/343261911.db2.gz LRIGRSPMFXXINE-INIZCTEOSA-N 1 0 231.383 4.404 10 0 BIAERO CCCC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000033867396 169013386 /nfs/dbraw/zinc/01/33/86/169013386.db2.gz LRIGRSPMFXXINE-MRXNPFEDSA-N 1 0 231.383 4.404 10 0 BIAERO CCCC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000033868509 343262209 /nfs/dbraw/zinc/26/22/09/343262209.db2.gz IOZMHEDSUZBONO-HNNXBMFYSA-N 1 0 217.356 4.014 10 0 BIAERO CCCC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000033868510 169012874 /nfs/dbraw/zinc/01/28/74/169012874.db2.gz IOZMHEDSUZBONO-OAHLLOKOSA-N 1 0 217.356 4.014 10 0 BIAERO CCCC/C=C\CCCCCCCC[NH3+] ZINC000033955074 350462614 /nfs/dbraw/zinc/46/26/14/350462614.db2.gz SYBPSIUVPQXFOU-WAYWQWQTSA-N 1 0 211.393 4.422 10 0 BIAERO c1ccc(C[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000033985700 183396907 /nfs/dbraw/zinc/39/69/07/183396907.db2.gz YWEFLMGCOPLAPQ-UHFFFAOYSA-N 1 0 243.394 4.233 10 0 BIAERO CCC[NH2+][C@H](CCC)Cc1cc2ccccc2o1 ZINC000033994665 169289036 /nfs/dbraw/zinc/28/90/36/169289036.db2.gz LJHIBIVAYHQPBT-CQSZACIVSA-N 1 0 245.366 4.144 10 0 BIAERO CSc1ccccc1[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000034103269 345817296 /nfs/dbraw/zinc/81/72/96/345817296.db2.gz WVKRCRZAIOYBQP-GXTWGEPZSA-N 1 0 247.407 4.098 10 0 BIAERO CC1(C)CC(C)(C)CC(C)([NH+]2CCCCC2)C1 ZINC000034117796 167886361 /nfs/dbraw/zinc/88/63/61/167886361.db2.gz CBNNDJDPYKEGJW-UHFFFAOYSA-N 1 0 237.431 4.467 10 0 BIAERO C1CCCCCCC[NH2+]CCCCCC1 ZINC000034408939 350468222 /nfs/dbraw/zinc/46/82/22/350468222.db2.gz WJYRTRZBFPDSSE-UHFFFAOYSA-N 1 0 211.393 4.271 10 0 BIAERO CCCC=C1CC[NH+](Cc2ccccc2)CC1 ZINC000034413002 343270345 /nfs/dbraw/zinc/27/03/45/343270345.db2.gz FNDJPBCXMYYKSE-UHFFFAOYSA-N 1 0 229.367 4.009 10 0 BIAERO CCC[C@H]([NH3+])c1ccccc1-c1ccccc1 ZINC000034416362 345828473 /nfs/dbraw/zinc/82/84/73/345828473.db2.gz PZHNYBXXTZSRDL-INIZCTEOSA-N 1 0 225.335 4.154 10 0 BIAERO CCC[C@@H]([NH3+])c1ccccc1-c1ccccc1 ZINC000034416363 345828414 /nfs/dbraw/zinc/82/84/14/345828414.db2.gz PZHNYBXXTZSRDL-MRXNPFEDSA-N 1 0 225.335 4.154 10 0 BIAERO CC(C)CC(=[NH2+])c1ccccc1N1CCCCC1 ZINC000034434721 345833471 /nfs/dbraw/zinc/83/34/71/345833471.db2.gz ZHBKQYMGZIZPQF-UHFFFAOYSA-N 1 0 244.382 4.091 10 0 BIAERO CCC[C@H]([NH3+])c1ccccc1C1=CCCCC1 ZINC000034482977 345835323 /nfs/dbraw/zinc/83/53/23/345835323.db2.gz BVDWWSFOVPQILH-INIZCTEOSA-N 1 0 229.367 4.444 10 0 BIAERO CCC[C@@H]([NH3+])c1ccccc1C1=CCCCC1 ZINC000034482978 345835276 /nfs/dbraw/zinc/83/52/76/345835276.db2.gz BVDWWSFOVPQILH-MRXNPFEDSA-N 1 0 229.367 4.444 10 0 BIAERO [NH3+][C@H](CSc1ccccc1)CC1CCCCC1 ZINC000034484202 343142553 /nfs/dbraw/zinc/14/25/53/343142553.db2.gz AJTJAECGIZRDMC-AWEZNQCLSA-N 1 0 249.423 4.076 10 0 BIAERO CC[NH2+]Cc1ccc(-c2cccc(C)c2C)s1 ZINC000034670635 170126242 /nfs/dbraw/zinc/12/62/42/170126242.db2.gz BWFVEJXDWHOTLE-UHFFFAOYSA-N 1 0 245.391 4.141 10 0 BIAERO C[NH2+]Cc1ccc(-c2ccc(C(C)C)cc2)s1 ZINC000034670743 173387820 /nfs/dbraw/zinc/38/78/20/173387820.db2.gz WFLWVFRBPQLAFW-UHFFFAOYSA-N 1 0 245.391 4.258 10 0 BIAERO CC[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)s1 ZINC000034670822 170126553 /nfs/dbraw/zinc/12/65/53/170126553.db2.gz ICFXUMQGZYXXOV-UHFFFAOYSA-N 1 0 245.391 4.141 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(-c2cccc(F)c2)s1 ZINC000034671769 170140835 /nfs/dbraw/zinc/14/08/35/170140835.db2.gz HYCCEUKSAOQNQL-JTQLQIEISA-N 1 0 249.354 4.225 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(-c2cccc(F)c2)s1 ZINC000034671771 170158826 /nfs/dbraw/zinc/15/88/26/170158826.db2.gz HYCCEUKSAOQNQL-SNVBAGLBSA-N 1 0 249.354 4.225 10 0 BIAERO C[NH2+][C@@H](c1ccc(-c2ccccc2)s1)C(C)C ZINC000034672775 173427807 /nfs/dbraw/zinc/42/78/07/173427807.db2.gz HMUKJCYWTSMWKE-OAHLLOKOSA-N 1 0 245.391 4.332 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccccc2C)s1 ZINC000034673547 170140699 /nfs/dbraw/zinc/14/06/99/170140699.db2.gz XMLOTPUYLLZTPK-LBPRGKRZSA-N 1 0 245.391 4.394 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(-c2ccccc2C)s1 ZINC000034673548 170159169 /nfs/dbraw/zinc/15/91/69/170159169.db2.gz XMLOTPUYLLZTPK-GFCCVEGCSA-N 1 0 245.391 4.394 10 0 BIAERO CCC[NH2+][C@@H](C)c1cccc(OCCC(C)C)c1 ZINC000034822409 169277168 /nfs/dbraw/zinc/27/71/68/169277168.db2.gz WNHQOKGKAMEFGL-AWEZNQCLSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](C)c1cccc(OCCC(C)C)c1 ZINC000034822410 169286677 /nfs/dbraw/zinc/28/66/77/169286677.db2.gz WNHQOKGKAMEFGL-CQSZACIVSA-N 1 0 249.398 4.172 10 0 BIAERO CCCCCOc1ccc([C@H](CC)[NH2+]CC)cc1 ZINC000034822712 168731259 /nfs/dbraw/zinc/73/12/59/168731259.db2.gz DADABHMISHEHTJ-INIZCTEOSA-N 1 0 249.398 4.316 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(O[C@@H](C)CC(C)C)cc1 ZINC000034843174 170141944 /nfs/dbraw/zinc/14/19/44/170141944.db2.gz MTHFLOZZLURRHW-KBPBESRZSA-N 1 0 249.398 4.171 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(O[C@@H](C)CC(C)C)cc1 ZINC000034843176 170159019 /nfs/dbraw/zinc/15/90/19/170159019.db2.gz MTHFLOZZLURRHW-UONOGXRCSA-N 1 0 249.398 4.171 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(O[C@H](C)CC(C)C)cc1 ZINC000034843178 170141850 /nfs/dbraw/zinc/14/18/50/170141850.db2.gz MTHFLOZZLURRHW-KGLIPLIRSA-N 1 0 249.398 4.171 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(O[C@H](C)CC(C)C)cc1 ZINC000034843180 170159558 /nfs/dbraw/zinc/15/95/58/170159558.db2.gz MTHFLOZZLURRHW-ZIAGYGMSSA-N 1 0 249.398 4.171 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(OCCCC(C)C)cc1 ZINC000034844961 170141864 /nfs/dbraw/zinc/14/18/64/170141864.db2.gz UJICFPXOMJUXNQ-AWEZNQCLSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(OCCCC(C)C)cc1 ZINC000034844963 170158911 /nfs/dbraw/zinc/15/89/11/170158911.db2.gz UJICFPXOMJUXNQ-CQSZACIVSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](C)c1ccc(OC(C)(C)CC)cc1 ZINC000034845006 169275543 /nfs/dbraw/zinc/27/55/43/169275543.db2.gz UQMBEXLBBQLOOH-ZDUSSCGKSA-N 1 0 249.398 4.315 10 0 BIAERO CCC[NH2+][C@H](C)c1ccc(OC(C)(C)CC)cc1 ZINC000034845008 169287376 /nfs/dbraw/zinc/28/73/76/169287376.db2.gz UQMBEXLBBQLOOH-CYBMUJFWSA-N 1 0 249.398 4.315 10 0 BIAERO CC[NH2+][C@H](C)c1ccccc1S[C@H](C)CC ZINC000034845651 170160133 /nfs/dbraw/zinc/16/01/33/170160133.db2.gz SOLNKLYBOWUVOI-VXGBXAGGSA-N 1 0 237.412 4.248 10 0 BIAERO CC[NH2+][C@H](C)c1ccccc1S[C@@H](C)CC ZINC000034845652 170160195 /nfs/dbraw/zinc/16/01/95/170160195.db2.gz SOLNKLYBOWUVOI-NWDGAFQWSA-N 1 0 237.412 4.248 10 0 BIAERO CC[NH2+][C@@H](C)c1ccccc1S[C@H](C)CC ZINC000034845654 170141477 /nfs/dbraw/zinc/14/14/77/170141477.db2.gz SOLNKLYBOWUVOI-NEPJUHHUSA-N 1 0 237.412 4.248 10 0 BIAERO CC[NH2+][C@@H](C)c1ccccc1S[C@@H](C)CC ZINC000034845656 170141880 /nfs/dbraw/zinc/14/18/80/170141880.db2.gz SOLNKLYBOWUVOI-RYUDHWBXSA-N 1 0 237.412 4.248 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(S[C@H](C)CC)cc1 ZINC000034845681 170159453 /nfs/dbraw/zinc/15/94/53/170159453.db2.gz YTGAOQIMGCAHBF-VXGBXAGGSA-N 1 0 237.412 4.248 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(S[C@@H](C)CC)cc1 ZINC000034845682 170159538 /nfs/dbraw/zinc/15/95/38/170159538.db2.gz YTGAOQIMGCAHBF-NWDGAFQWSA-N 1 0 237.412 4.248 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(S[C@H](C)CC)cc1 ZINC000034845684 170142263 /nfs/dbraw/zinc/14/22/63/170142263.db2.gz YTGAOQIMGCAHBF-NEPJUHHUSA-N 1 0 237.412 4.248 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(S[C@@H](C)CC)cc1 ZINC000034845686 170142058 /nfs/dbraw/zinc/14/20/58/170142058.db2.gz YTGAOQIMGCAHBF-RYUDHWBXSA-N 1 0 237.412 4.248 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(SC(C)(C)C)cc1 ZINC000034845787 170141836 /nfs/dbraw/zinc/14/18/36/170141836.db2.gz KIEYZCQBJJSKCG-NSHDSACASA-N 1 0 237.412 4.248 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(SC(C)(C)C)cc1 ZINC000034845789 170159074 /nfs/dbraw/zinc/15/90/74/170159074.db2.gz KIEYZCQBJJSKCG-LLVKDONJSA-N 1 0 237.412 4.248 10 0 BIAERO CCC[NH2+][C@@H](C)c1ccccc1SCCC ZINC000034845810 169277347 /nfs/dbraw/zinc/27/73/47/169277347.db2.gz VMVUWJSMEGENEU-LBPRGKRZSA-N 1 0 237.412 4.249 10 0 BIAERO CCC[NH2+][C@H](C)c1ccccc1SCCC ZINC000034845812 169287077 /nfs/dbraw/zinc/28/70/77/169287077.db2.gz VMVUWJSMEGENEU-GFCCVEGCSA-N 1 0 237.412 4.249 10 0 BIAERO CCC[NH2+][C@@H](C)c1ccc(SCCC)cc1 ZINC000034845822 169276688 /nfs/dbraw/zinc/27/66/88/169276688.db2.gz QEHNHXHATDOVGJ-LBPRGKRZSA-N 1 0 237.412 4.249 10 0 BIAERO CCC[NH2+][C@H](C)c1ccc(SCCC)cc1 ZINC000034845824 169286982 /nfs/dbraw/zinc/28/69/82/169286982.db2.gz QEHNHXHATDOVGJ-GFCCVEGCSA-N 1 0 237.412 4.249 10 0 BIAERO C[NH2+][C@@H](C)c1ccccc1Sc1ccccc1 ZINC000034845902 173419598 /nfs/dbraw/zinc/41/95/98/173419598.db2.gz VXEHVDUNEHXISK-LBPRGKRZSA-N 1 0 243.375 4.118 10 0 BIAERO C[NH2+][C@@H](C)c1ccc(Sc2ccccc2)cc1 ZINC000034845919 173419082 /nfs/dbraw/zinc/41/90/82/173419082.db2.gz BVKXZJLLOOYLNC-LBPRGKRZSA-N 1 0 243.375 4.118 10 0 BIAERO Cc1cc([C@@H]([NH3+])c2cccc(C)c2C)c(C)s1 ZINC000034940788 178238199 /nfs/dbraw/zinc/23/81/99/178238199.db2.gz HCFDBLMWMFCZLS-HNNXBMFYSA-N 1 0 245.391 4.030 10 0 BIAERO Cc1cc([C@H]([NH3+])c2cccc(C)c2C)c(C)s1 ZINC000034940789 178262640 /nfs/dbraw/zinc/26/26/40/178262640.db2.gz HCFDBLMWMFCZLS-OAHLLOKOSA-N 1 0 245.391 4.030 10 0 BIAERO Cc1cc([C@@H]([NH3+])c2ccc(C)cc2C)c(C)s1 ZINC000034940798 351355855 /nfs/dbraw/zinc/35/58/55/351355855.db2.gz OCIBWWZVTPZFAM-HNNXBMFYSA-N 1 0 245.391 4.030 10 0 BIAERO Cc1cc([C@@H]([NH3+])c2ccc(C)c(C)c2)c(C)s1 ZINC000034940816 178238178 /nfs/dbraw/zinc/23/81/78/178238178.db2.gz XKIJXZVDBWEHBV-HNNXBMFYSA-N 1 0 245.391 4.030 10 0 BIAERO Cc1cc([C@H]([NH3+])c2ccc(C)c(C)c2)c(C)s1 ZINC000034940817 178263310 /nfs/dbraw/zinc/26/33/10/178263310.db2.gz XKIJXZVDBWEHBV-OAHLLOKOSA-N 1 0 245.391 4.030 10 0 BIAERO CC(C)c1ccc(C2([NH3+])CCCCCC2)cc1 ZINC000034963540 167593065 /nfs/dbraw/zinc/59/30/65/167593065.db2.gz KCBQRCZMLAJFDG-UHFFFAOYSA-N 1 0 231.383 4.318 10 0 BIAERO [NH3+][C@@H](c1csc2ccccc12)C1CCCC1 ZINC000034973518 351371683 /nfs/dbraw/zinc/37/16/83/351371683.db2.gz IDZLEOQXZHCCSA-CQSZACIVSA-N 1 0 231.364 4.091 10 0 BIAERO [NH3+][C@H](c1csc2ccccc12)C1CCCC1 ZINC000034973520 181635284 /nfs/dbraw/zinc/63/52/84/181635284.db2.gz IDZLEOQXZHCCSA-AWEZNQCLSA-N 1 0 231.364 4.091 10 0 BIAERO CC(C)[C@@H]([NH3+])c1ccc(-c2ccc(F)cc2)s1 ZINC000034974751 167422914 /nfs/dbraw/zinc/42/29/14/167422914.db2.gz DUFLJBKVUFORJT-CQSZACIVSA-N 1 0 249.354 4.210 10 0 BIAERO Cc1ccc(C[NH2+]C2CCCCCC2)cc1C ZINC000034991308 178601606 /nfs/dbraw/zinc/60/16/06/178601606.db2.gz HMTSQQSBJLFBDN-UHFFFAOYSA-N 1 0 231.383 4.116 10 0 BIAERO Cc1ccc(C[NH2+][C@@H](C)c2cccs2)cc1C ZINC000034992335 636350155 /nfs/dbraw/zinc/35/01/55/636350155.db2.gz GZSODABKZTWBFA-ZDUSSCGKSA-N 1 0 245.391 4.216 10 0 BIAERO Cc1ccc(C[NH2+][C@H](C)c2cccs2)cc1C ZINC000034992336 636350793 /nfs/dbraw/zinc/35/07/93/636350793.db2.gz GZSODABKZTWBFA-CYBMUJFWSA-N 1 0 245.391 4.216 10 0 BIAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)c(C)c2)o1 ZINC000034993650 385692376 /nfs/dbraw/zinc/69/23/76/385692376.db2.gz XFVQKTMQHHKTIF-AWEZNQCLSA-N 1 0 243.350 4.056 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)o1 ZINC000034993651 385692084 /nfs/dbraw/zinc/69/20/84/385692084.db2.gz XFVQKTMQHHKTIF-CQSZACIVSA-N 1 0 243.350 4.056 10 0 BIAERO CCCCC[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000034995168 168744440 /nfs/dbraw/zinc/74/44/40/168744440.db2.gz ICFBPKBTPJMFDG-WMLDXEAASA-N 1 0 245.410 4.102 10 0 BIAERO CC[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(C)cc1 ZINC000034996299 170900175 /nfs/dbraw/zinc/90/01/75/170900175.db2.gz ALKBZYVQTPUNHS-DOTOQJQBSA-N 1 0 243.394 4.392 10 0 BIAERO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000035009781 171831161 /nfs/dbraw/zinc/83/11/61/171831161.db2.gz SUCHUWJCHVSFJQ-ZBFHGGJFSA-N 1 0 243.394 4.256 10 0 BIAERO CCC(CC)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000035010045 351381106 /nfs/dbraw/zinc/38/11/06/351381106.db2.gz FQSUDYKMTHETND-JTQLQIEISA-N 1 0 241.325 4.052 10 0 BIAERO CCC(CC)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000035010046 351380874 /nfs/dbraw/zinc/38/08/74/351380874.db2.gz FQSUDYKMTHETND-SNVBAGLBSA-N 1 0 241.325 4.052 10 0 BIAERO CCC(CC)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000035010768 351380827 /nfs/dbraw/zinc/38/08/27/351380827.db2.gz DOHDGZYFOUROMP-JTQLQIEISA-N 1 0 241.325 4.052 10 0 BIAERO CCC(CC)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000035010770 351381375 /nfs/dbraw/zinc/38/13/75/351381375.db2.gz DOHDGZYFOUROMP-SNVBAGLBSA-N 1 0 241.325 4.052 10 0 BIAERO C[C@@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccco1 ZINC000035012620 175917279 /nfs/dbraw/zinc/91/72/79/175917279.db2.gz PBBSCTUWWOBQGG-LXTVHRRPSA-N 1 0 247.382 4.289 10 0 BIAERO C[C@H]([NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccco1 ZINC000035012622 176927102 /nfs/dbraw/zinc/92/71/02/176927102.db2.gz PBBSCTUWWOBQGG-XQLPTFJDSA-N 1 0 247.382 4.289 10 0 BIAERO CCC(CC)C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000035015200 342733448 /nfs/dbraw/zinc/73/34/48/342733448.db2.gz HIQJAFZXLXCDFL-ZDUSSCGKSA-N 1 0 249.398 4.090 10 0 BIAERO CCC(CC)C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000035015202 342733517 /nfs/dbraw/zinc/73/35/17/342733517.db2.gz HIQJAFZXLXCDFL-CYBMUJFWSA-N 1 0 249.398 4.090 10 0 BIAERO CCC(CC)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000035016114 168362579 /nfs/dbraw/zinc/36/25/79/168362579.db2.gz QCNQUWAZUUADDJ-MRXNPFEDSA-N 1 0 233.399 4.410 10 0 BIAERO CCC(CC)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000035016116 168365248 /nfs/dbraw/zinc/36/52/48/168365248.db2.gz QCNQUWAZUUADDJ-INIZCTEOSA-N 1 0 233.399 4.410 10 0 BIAERO CC(C)CC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000035016390 166864320 /nfs/dbraw/zinc/86/43/20/166864320.db2.gz GKGRJMLUUOIITD-OAHLLOKOSA-N 1 0 237.362 4.159 10 0 BIAERO CC(C)[C@H]([NH2+]C1CCCCC1)c1ccc(F)cc1 ZINC000035016429 187257160 /nfs/dbraw/zinc/25/71/60/187257160.db2.gz WEYZZJLLNZWXLP-INIZCTEOSA-N 1 0 249.373 4.445 10 0 BIAERO CC(C)[C@@H]([NH2+]C1CCCCC1)c1ccc(F)cc1 ZINC000035016431 167431152 /nfs/dbraw/zinc/43/11/52/167431152.db2.gz WEYZZJLLNZWXLP-MRXNPFEDSA-N 1 0 249.373 4.445 10 0 BIAERO CC(C)[C@H]([NH2+]Cc1ccccc1)c1cccs1 ZINC000035016926 187594742 /nfs/dbraw/zinc/59/47/42/187594742.db2.gz ABMKZNJLTYRCMX-HNNXBMFYSA-N 1 0 245.391 4.235 10 0 BIAERO CCc1oc2ccccc2c1C[NH2+]CCC(C)C ZINC000035017762 172113208 /nfs/dbraw/zinc/11/32/08/172113208.db2.gz HISWIJNPMCXYLQ-UHFFFAOYSA-N 1 0 245.366 4.131 10 0 BIAERO CCc1oc2ccccc2c1C[NH2+]C(CC)CC ZINC000035017795 172112416 /nfs/dbraw/zinc/11/24/16/172112416.db2.gz GKXLYURBEWMPNJ-UHFFFAOYSA-N 1 0 245.366 4.273 10 0 BIAERO CC[C@@H](C)c1ccc([C@H]([NH3+])c2ccc(C)o2)cc1 ZINC000035081577 170805128 /nfs/dbraw/zinc/80/51/28/170805128.db2.gz FZDRGZUXRKCSQJ-BZNIZROVSA-N 1 0 243.350 4.150 10 0 BIAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])c2ccc(C)o2)cc1 ZINC000035081579 170805032 /nfs/dbraw/zinc/80/50/32/170805032.db2.gz FZDRGZUXRKCSQJ-BDJLRTHQSA-N 1 0 243.350 4.150 10 0 BIAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])c2occc2C)cc1 ZINC000035081591 170805304 /nfs/dbraw/zinc/80/53/04/170805304.db2.gz AQRVUXYTITTWJX-IAQYHMDHSA-N 1 0 243.350 4.150 10 0 BIAERO CCC[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000035102096 387553739 /nfs/dbraw/zinc/55/37/39/387553739.db2.gz DRHNTCONASPYDU-KRWDZBQOSA-N 1 0 239.362 4.084 10 0 BIAERO CCC[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000035102097 387553123 /nfs/dbraw/zinc/55/31/23/387553123.db2.gz DRHNTCONASPYDU-QGZVFWFLSA-N 1 0 239.362 4.084 10 0 BIAERO CC[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000035117280 170147579 /nfs/dbraw/zinc/14/75/79/170147579.db2.gz AFADDQDESBTLPG-MRXNPFEDSA-N 1 0 233.399 4.192 10 0 BIAERO CC[NH2+][C@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000035117281 170163383 /nfs/dbraw/zinc/16/33/83/170163383.db2.gz AFADDQDESBTLPG-INIZCTEOSA-N 1 0 233.399 4.192 10 0 BIAERO CC[NH2+][C@H](c1cccs1)c1ccc(CC)cc1 ZINC000035117433 170147688 /nfs/dbraw/zinc/14/76/88/170147688.db2.gz BEOLTPNDLOLDDZ-HNNXBMFYSA-N 1 0 245.391 4.009 10 0 BIAERO CC[NH2+][C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000035117435 170163570 /nfs/dbraw/zinc/16/35/70/170163570.db2.gz BEOLTPNDLOLDDZ-OAHLLOKOSA-N 1 0 245.391 4.009 10 0 BIAERO CCCCC[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC000035134047 168744289 /nfs/dbraw/zinc/74/42/89/168744289.db2.gz QCQZXIJHLNGXGP-AWEZNQCLSA-N 1 0 233.399 4.307 10 0 BIAERO CCCCC[C@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000035134069 168744442 /nfs/dbraw/zinc/74/44/42/168744442.db2.gz JQQNNRBUIICTHS-AWEZNQCLSA-N 1 0 249.398 4.067 10 0 BIAERO CCC(C)(C)C1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000035136358 168270275 /nfs/dbraw/zinc/27/02/75/168270275.db2.gz QWBAZUHUPRNCDO-GRTSSRMGSA-N 1 0 237.431 4.370 10 0 BIAERO CCC(C)(C)C1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000035136360 168270526 /nfs/dbraw/zinc/27/05/26/168270526.db2.gz QWBAZUHUPRNCDO-LRVUVFPRSA-N 1 0 237.431 4.370 10 0 BIAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1ccco1 ZINC000035136748 176424015 /nfs/dbraw/zinc/42/40/15/176424015.db2.gz ZAXCPBODKOFBAU-AGIUHOORSA-N 1 0 235.371 4.145 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccco1 ZINC000035136751 176378289 /nfs/dbraw/zinc/37/82/89/176378289.db2.gz ZAXCPBODKOFBAU-FRRDWIJNSA-N 1 0 235.371 4.145 10 0 BIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)c1ccco1 ZINC000035137091 188111962 /nfs/dbraw/zinc/11/19/62/188111962.db2.gz COVJNOMSVIRYJO-CBBWQLFWSA-N 1 0 249.398 4.391 10 0 BIAERO C[C@H]([NH2+]C1c2ccccc2-c2ccccc21)C1CC1 ZINC000035140499 384402330 /nfs/dbraw/zinc/40/23/30/384402330.db2.gz LGUOVHNARGTKEA-LBPRGKRZSA-N 1 0 249.357 4.145 10 0 BIAERO C[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)C1CC1 ZINC000035140502 384400700 /nfs/dbraw/zinc/40/07/00/384400700.db2.gz LGUOVHNARGTKEA-GFCCVEGCSA-N 1 0 249.357 4.145 10 0 BIAERO CCC[C@@H](C)Nc1cc(C)[nH+]c2ccccc12 ZINC000035206421 169371660 /nfs/dbraw/zinc/37/16/60/169371660.db2.gz OXQQICLFEWONNX-LLVKDONJSA-N 1 0 228.339 4.144 10 0 BIAERO CCC(CC)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035253636 410011292 /nfs/dbraw/zinc/01/12/92/410011292.db2.gz HLJYTCNCOHPXQT-VIFPVBQESA-N 1 0 245.819 4.488 10 0 BIAERO CCC(CC)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035253638 410011101 /nfs/dbraw/zinc/01/11/01/410011101.db2.gz HLJYTCNCOHPXQT-SECBINFHSA-N 1 0 245.819 4.488 10 0 BIAERO CCC(CC)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000035256249 410010829 /nfs/dbraw/zinc/01/08/29/410010829.db2.gz MVSMWUSZIDTVAF-JTQLQIEISA-N 1 0 241.325 4.052 10 0 BIAERO CCC(CC)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000035256250 410011172 /nfs/dbraw/zinc/01/11/72/410011172.db2.gz MVSMWUSZIDTVAF-SNVBAGLBSA-N 1 0 241.325 4.052 10 0 BIAERO CCC(CC)C[NH2+]C(C)(C)CC(C)(C)C ZINC000035257286 168360147 /nfs/dbraw/zinc/36/01/47/168360147.db2.gz JBNFCHPAOXYWFI-UHFFFAOYSA-N 1 0 213.409 4.227 10 0 BIAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035286425 384404386 /nfs/dbraw/zinc/40/43/86/384404386.db2.gz DVFHOFMSIZKJAH-ZJUUUORDSA-N 1 0 245.819 4.487 10 0 BIAERO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035286426 384404236 /nfs/dbraw/zinc/40/42/36/384404236.db2.gz DVFHOFMSIZKJAH-UWVGGRQHSA-N 1 0 245.819 4.487 10 0 BIAERO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035286427 384405526 /nfs/dbraw/zinc/40/55/26/384405526.db2.gz DVFHOFMSIZKJAH-NXEZZACHSA-N 1 0 245.819 4.487 10 0 BIAERO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035286428 262843005 /nfs/dbraw/zinc/84/30/05/262843005.db2.gz DVFHOFMSIZKJAH-VHSXEESVSA-N 1 0 245.819 4.487 10 0 BIAERO Cc1cc(C)c(C)c([C@@H]([NH3+])c2cccs2)c1C ZINC000035380214 177853808 /nfs/dbraw/zinc/85/38/08/177853808.db2.gz XRDBBIKSKSJQIO-HNNXBMFYSA-N 1 0 245.391 4.030 10 0 BIAERO CC[C@H](C)c1ccc([C@H]([NH3+])c2ccsc2)cc1 ZINC000035380452 171411531 /nfs/dbraw/zinc/41/15/31/171411531.db2.gz XWIJLLZSZLFKCX-NHYWBVRUSA-N 1 0 245.391 4.310 10 0 BIAERO CCCCc1ccc([C@H]([NH3+])c2ccsc2)cc1 ZINC000035380774 169023587 /nfs/dbraw/zinc/02/35/87/169023587.db2.gz ZNXCZHSVJZKQAK-HNNXBMFYSA-N 1 0 245.391 4.139 10 0 BIAERO CCCCc1ccc([C@@H]([NH3+])c2ccsc2)cc1 ZINC000035380776 169021619 /nfs/dbraw/zinc/02/16/19/169021619.db2.gz ZNXCZHSVJZKQAK-OAHLLOKOSA-N 1 0 245.391 4.139 10 0 BIAERO [NH3+][C@H](c1cccs1)c1csc2ccccc21 ZINC000035381879 357210767 /nfs/dbraw/zinc/21/07/67/357210767.db2.gz OYEXDBUCSYXSNU-ZDUSSCGKSA-N 1 0 245.372 4.011 10 0 BIAERO [NH3+][C@@H](c1cccs1)c1csc2ccccc21 ZINC000035381881 357210786 /nfs/dbraw/zinc/21/07/86/357210786.db2.gz OYEXDBUCSYXSNU-CYBMUJFWSA-N 1 0 245.372 4.011 10 0 BIAERO CC[C@H](C)Oc1c2ccccc2ccc1[C@@H](C)[NH3+] ZINC000035427271 171356523 /nfs/dbraw/zinc/35/65/23/171356523.db2.gz UIVHVSGYNRKTKG-NWDGAFQWSA-N 1 0 243.350 4.037 10 0 BIAERO CC[C@H](C)Oc1c2ccccc2ccc1[C@H](C)[NH3+] ZINC000035427275 171356313 /nfs/dbraw/zinc/35/63/13/171356313.db2.gz UIVHVSGYNRKTKG-RYUDHWBXSA-N 1 0 243.350 4.037 10 0 BIAERO C[NH2+][C@@H](c1ccc(C)c(C)c1)C1CCCCC1 ZINC000035457523 173427983 /nfs/dbraw/zinc/42/79/83/173427983.db2.gz LNBYLABOITVPIF-MRXNPFEDSA-N 1 0 231.383 4.144 10 0 BIAERO C[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)(C)C ZINC000035459539 173427537 /nfs/dbraw/zinc/42/75/37/173427537.db2.gz BBNNBZWUZFYQCI-HNNXBMFYSA-N 1 0 233.399 4.192 10 0 BIAERO C[NH2+][C@H](c1ccc(CC(C)C)cc1)C(C)(C)C ZINC000035459542 173456364 /nfs/dbraw/zinc/45/63/64/173456364.db2.gz BBNNBZWUZFYQCI-OAHLLOKOSA-N 1 0 233.399 4.192 10 0 BIAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc(CC(C)C)cc1 ZINC000035459686 171399426 /nfs/dbraw/zinc/39/94/26/171399426.db2.gz VUQROEUGZORVMH-BBRMVZONSA-N 1 0 233.399 4.192 10 0 BIAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc(CC(C)C)cc1 ZINC000035459691 171373676 /nfs/dbraw/zinc/37/36/76/171373676.db2.gz VUQROEUGZORVMH-XJKSGUPXSA-N 1 0 233.399 4.192 10 0 BIAERO CCCCC[C@H]([NH2+]C)c1ccc2c(c1)CCCC2 ZINC000035460105 168744561 /nfs/dbraw/zinc/74/45/61/168744561.db2.gz ZUYCUEPPLFAHFH-KRWDZBQOSA-N 1 0 245.410 4.406 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc2c(c1)CCCC2 ZINC000035460131 169372924 /nfs/dbraw/zinc/37/29/24/169372924.db2.gz YUCWXMXOZIPKCZ-DYVFJYSZSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)CCCC2 ZINC000035460136 169372699 /nfs/dbraw/zinc/37/26/99/169372699.db2.gz YUCWXMXOZIPKCZ-CXAGYDPISA-N 1 0 245.410 4.262 10 0 BIAERO CCC[C@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)CCCC2 ZINC000035460139 169495098 /nfs/dbraw/zinc/49/50/98/169495098.db2.gz YUCWXMXOZIPKCZ-SUMWQHHRSA-N 1 0 245.410 4.262 10 0 BIAERO C[NH2+][C@@H](CCC(C)C)c1ccc2c(c1)CCCC2 ZINC000035460141 173422539 /nfs/dbraw/zinc/42/25/39/173422539.db2.gz TYHGRHVEILXEOZ-KRWDZBQOSA-N 1 0 245.410 4.262 10 0 BIAERO C[NH2+][C@@H](c1ccc2c(c1)CCCC2)C1CCCC1 ZINC000035460427 173428307 /nfs/dbraw/zinc/42/83/07/173428307.db2.gz SREKQYFRVYXYJH-QGZVFWFLSA-N 1 0 243.394 4.016 10 0 BIAERO CCC(CC)[C@H]([NH2+]C)c1ccc2c(c1)CCCC2 ZINC000035460468 168406113 /nfs/dbraw/zinc/40/61/13/168406113.db2.gz SVQNYOPUWLYMPB-KRWDZBQOSA-N 1 0 245.410 4.262 10 0 BIAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(F)cc1 ZINC000035463613 169001387 /nfs/dbraw/zinc/00/13/87/169001387.db2.gz WAYMYGNIWYPWPV-WFASDCNBSA-N 1 0 237.362 4.303 10 0 BIAERO CCCC[C@@H](CC)[C@@H]([NH2+]C)c1ccc(F)cc1 ZINC000035463615 168960317 /nfs/dbraw/zinc/96/03/17/168960317.db2.gz WAYMYGNIWYPWPV-IUODEOHRSA-N 1 0 237.362 4.303 10 0 BIAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(F)cc1 ZINC000035463617 169000926 /nfs/dbraw/zinc/00/09/26/169000926.db2.gz WAYMYGNIWYPWPV-SWLSCSKDSA-N 1 0 237.362 4.303 10 0 BIAERO C[NH2+][C@@H](CCC1CCCCC1)c1ccccc1 ZINC000035465170 173423198 /nfs/dbraw/zinc/42/31/98/173423198.db2.gz IXRBPJMVHRGBIO-INIZCTEOSA-N 1 0 231.383 4.308 10 0 BIAERO CC[C@H](c1ccccc1)[C@@H]([NH2+]C)c1ccccc1 ZINC000035465434 171599558 /nfs/dbraw/zinc/59/95/58/171599558.db2.gz GMRJXEHBFOVPJF-SJORKVTESA-N 1 0 239.362 4.141 10 0 BIAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(OC)cc1 ZINC000035465627 169000825 /nfs/dbraw/zinc/00/08/25/169000825.db2.gz GTLMZGYKDJEKKR-BBRMVZONSA-N 1 0 249.398 4.172 10 0 BIAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(OC)cc1 ZINC000035465631 169000943 /nfs/dbraw/zinc/00/09/43/169000943.db2.gz GTLMZGYKDJEKKR-XJKSGUPXSA-N 1 0 249.398 4.172 10 0 BIAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000035466130 169000781 /nfs/dbraw/zinc/00/07/81/169000781.db2.gz OGBCPENHZUOTFQ-HOCLYGCPSA-N 1 0 233.399 4.472 10 0 BIAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(C)cc1 ZINC000035466133 169000812 /nfs/dbraw/zinc/00/08/12/169000812.db2.gz OGBCPENHZUOTFQ-GOEBONIOSA-N 1 0 233.399 4.472 10 0 BIAERO C[NH2+][C@H](CC1CCCCC1)c1ccc(C)cc1 ZINC000035466155 173451665 /nfs/dbraw/zinc/45/16/65/173451665.db2.gz SYERPPGFWQWBPN-MRXNPFEDSA-N 1 0 231.383 4.226 10 0 BIAERO C[NH2+][C@H](c1ccc(-c2ccccc2)cc1)C(C)C ZINC000035466951 173456191 /nfs/dbraw/zinc/45/61/91/173456191.db2.gz YCEHHMDBEILUIJ-KRWDZBQOSA-N 1 0 239.362 4.270 10 0 BIAERO CCC[C@@H]([NH2+]C)c1ccc(-c2ccccc2)cc1 ZINC000035466954 169399921 /nfs/dbraw/zinc/39/99/21/169399921.db2.gz PGCQVYFFFWYVDK-QGZVFWFLSA-N 1 0 239.362 4.414 10 0 BIAERO C[NH2+][C@H](c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000035466978 173455807 /nfs/dbraw/zinc/45/58/07/173455807.db2.gz LMNRIOJWDLNZPO-QGZVFWFLSA-N 1 0 237.346 4.024 10 0 BIAERO C[NH2+][C@H](c1ccc(C)cc1C)C1CCCCC1 ZINC000035468220 173455721 /nfs/dbraw/zinc/45/57/21/173455721.db2.gz NCWNDEBWSHUPSJ-INIZCTEOSA-N 1 0 231.383 4.144 10 0 BIAERO CC[C@@H](C)c1ccc([C@H]([NH2+]C)C2CCC2)cc1 ZINC000035469268 170805120 /nfs/dbraw/zinc/80/51/20/170805120.db2.gz SLUAUQACUPQSDP-MLGOLLRUSA-N 1 0 231.383 4.261 10 0 BIAERO CC[C@H](C)c1ccc([C@H]([NH2+]C)C2CCC2)cc1 ZINC000035469269 171411847 /nfs/dbraw/zinc/41/18/47/171411847.db2.gz SLUAUQACUPQSDP-BLLLJJGKSA-N 1 0 231.383 4.261 10 0 BIAERO CC[C@@H](C)c1ccc([C@@H]([NH2+]C)C2CCC2)cc1 ZINC000035469270 170804906 /nfs/dbraw/zinc/80/49/06/170804906.db2.gz SLUAUQACUPQSDP-WBMJQRKESA-N 1 0 231.383 4.261 10 0 BIAERO CC[C@H](C)c1ccc([C@@H]([NH2+]C)[C@@H]2C[C@@H]2C)cc1 ZINC000035469283 171411831 /nfs/dbraw/zinc/41/18/31/171411831.db2.gz HHHVOIMOWMEJGN-YXAMBPQSSA-N 1 0 231.383 4.117 10 0 BIAERO C[NH2+][C@H](c1cc(C)ccc1C)C1CCCCC1 ZINC000035489888 517981100 /nfs/dbraw/zinc/98/11/00/517981100.db2.gz IIXSFVBWXPTKSM-INIZCTEOSA-N 1 0 231.383 4.144 10 0 BIAERO CC[C@H](C)[C@H]([NH2+]C)c1c(C)c(C)cc(C)c1C ZINC000035491231 171398908 /nfs/dbraw/zinc/39/89/08/171398908.db2.gz PVODBCKFVPIQKM-QFYYESIMSA-N 1 0 233.399 4.227 10 0 BIAERO CC[C@H](C)[C@@H]([NH2+]C)c1c(C)c(C)cc(C)c1C ZINC000035491237 171373208 /nfs/dbraw/zinc/37/32/08/171373208.db2.gz PVODBCKFVPIQKM-MGPLVRAMSA-N 1 0 233.399 4.227 10 0 BIAERO C[NH2+][C@H](CC(C)C)c1c(C)c(C)cc(C)c1C ZINC000035491300 173451083 /nfs/dbraw/zinc/45/10/83/173451083.db2.gz VMSURGOMUXMDPU-OAHLLOKOSA-N 1 0 233.399 4.227 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]C)c1c(C)cc(C)cc1C ZINC000035492396 169373744 /nfs/dbraw/zinc/37/37/44/169373744.db2.gz ROEWKOCPLGREQH-WBMJQRKESA-N 1 0 233.399 4.309 10 0 BIAERO CCC[C@H](C)[C@H]([NH2+]C)c1c(C)cc(C)cc1C ZINC000035492398 169495437 /nfs/dbraw/zinc/49/54/37/169495437.db2.gz ROEWKOCPLGREQH-LRDDRELGSA-N 1 0 233.399 4.309 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1c(C)cc(C)cc1C ZINC000035492401 169372093 /nfs/dbraw/zinc/37/20/93/169372093.db2.gz ROEWKOCPLGREQH-MLGOLLRUSA-N 1 0 233.399 4.309 10 0 BIAERO C[NH2+][C@@H](CCC(C)C)c1c(C)cc(C)cc1C ZINC000035492411 173422892 /nfs/dbraw/zinc/42/28/92/173422892.db2.gz HDQOVHQESUURHN-HNNXBMFYSA-N 1 0 233.399 4.309 10 0 BIAERO C[NH2+][C@@H](CC(C)(C)C)c1c(C)cc(C)cc1C ZINC000035492564 173422092 /nfs/dbraw/zinc/42/20/92/173422092.db2.gz UMVZQWAHZLCNRD-AWEZNQCLSA-N 1 0 233.399 4.309 10 0 BIAERO C[NH2+][C@@H](c1c(C)cc(C)cc1C)C1CCCC1 ZINC000035492703 173426551 /nfs/dbraw/zinc/42/65/51/173426551.db2.gz WWWOYOHVXDCVAF-MRXNPFEDSA-N 1 0 231.383 4.063 10 0 BIAERO CCC(CC)[C@@H]([NH2+]C)c1c(C)cc(C)cc1C ZINC000035492752 168401130 /nfs/dbraw/zinc/40/11/30/168401130.db2.gz AVNFHVPBLUZFAN-MRXNPFEDSA-N 1 0 233.399 4.309 10 0 BIAERO CCCCc1ccc([C@H]([NH2+]C)[C@@H](C)CC)cc1 ZINC000035493093 169022956 /nfs/dbraw/zinc/02/29/56/169022956.db2.gz RVCLXKUUXXGOCT-XJKSGUPXSA-N 1 0 233.399 4.336 10 0 BIAERO CCCCc1ccc([C@@H]([NH2+]C)[C@@H](C)CC)cc1 ZINC000035493096 169022124 /nfs/dbraw/zinc/02/21/24/169022124.db2.gz RVCLXKUUXXGOCT-BBRMVZONSA-N 1 0 233.399 4.336 10 0 BIAERO CCCCc1ccc([C@H]([NH2+]C)[C@H](C)CC)cc1 ZINC000035493098 169022991 /nfs/dbraw/zinc/02/29/91/169022991.db2.gz RVCLXKUUXXGOCT-CZUORRHYSA-N 1 0 233.399 4.336 10 0 BIAERO CCCCc1ccc([C@@H]([NH2+]C)[C@H](C)CC)cc1 ZINC000035493101 169022569 /nfs/dbraw/zinc/02/25/69/169022569.db2.gz RVCLXKUUXXGOCT-CJNGLKHVSA-N 1 0 233.399 4.336 10 0 BIAERO CCCCc1ccc([C@@H](CC(C)C)[NH2+]C)cc1 ZINC000035493164 169022042 /nfs/dbraw/zinc/02/20/42/169022042.db2.gz VDNHPYOQRHWDJQ-MRXNPFEDSA-N 1 0 233.399 4.336 10 0 BIAERO CCCCc1ccc([C@H](CC(C)C)[NH2+]C)cc1 ZINC000035493167 169023749 /nfs/dbraw/zinc/02/37/49/169023749.db2.gz VDNHPYOQRHWDJQ-INIZCTEOSA-N 1 0 233.399 4.336 10 0 BIAERO CCCCc1ccc([C@H]([NH2+]C)C2CCCC2)cc1 ZINC000035493269 169023488 /nfs/dbraw/zinc/02/34/88/169023488.db2.gz IUGASWFTGDKZOA-QGZVFWFLSA-N 1 0 245.410 4.480 10 0 BIAERO CCCCc1ccc([C@@H]([NH2+]C)C2CCCC2)cc1 ZINC000035493272 169022206 /nfs/dbraw/zinc/02/22/06/169022206.db2.gz IUGASWFTGDKZOA-KRWDZBQOSA-N 1 0 245.410 4.480 10 0 BIAERO CCCCc1ccc([C@H]([NH2+]C)C2CCC2)cc1 ZINC000035493275 169023339 /nfs/dbraw/zinc/02/33/39/169023339.db2.gz LUYLMLQYHBDMJY-MRXNPFEDSA-N 1 0 231.383 4.090 10 0 BIAERO CCCCc1ccc([C@@H]([NH2+]C)C2CCC2)cc1 ZINC000035493277 169022053 /nfs/dbraw/zinc/02/20/53/169022053.db2.gz LUYLMLQYHBDMJY-INIZCTEOSA-N 1 0 231.383 4.090 10 0 BIAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc(C(C)(C)C)cc1 ZINC000035493621 171399022 /nfs/dbraw/zinc/39/90/22/171399022.db2.gz JFMGIKLCJFZILH-WFASDCNBSA-N 1 0 233.399 4.291 10 0 BIAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc(C(C)(C)C)cc1 ZINC000035493625 171373709 /nfs/dbraw/zinc/37/37/09/171373709.db2.gz JFMGIKLCJFZILH-SWLSCSKDSA-N 1 0 233.399 4.291 10 0 BIAERO CCc1ccc([C@@H]([NH2+]C)C2CCCCC2)cc1 ZINC000035495222 171834061 /nfs/dbraw/zinc/83/40/61/171834061.db2.gz QSKSRYMOWBZHNW-INIZCTEOSA-N 1 0 231.383 4.090 10 0 BIAERO CCCCC[C@@H]([NH2+]C)c1ccc(CCC)cc1 ZINC000035496118 168740214 /nfs/dbraw/zinc/74/02/14/168740214.db2.gz NPPOXQABWREADB-MRXNPFEDSA-N 1 0 233.399 4.480 10 0 BIAERO CCCc1ccc([C@H]([NH2+]C)[C@H](C)CCC)cc1 ZINC000035496139 169575248 /nfs/dbraw/zinc/57/52/48/169575248.db2.gz WOXZBDPUXZSEPM-CZUORRHYSA-N 1 0 233.399 4.336 10 0 BIAERO C[NH2+][C@@H](c1ccc(C2CCCCC2)cc1)C1CC1 ZINC000035496508 173427491 /nfs/dbraw/zinc/42/74/91/173427491.db2.gz SMFBGKLNAUWRQB-KRWDZBQOSA-N 1 0 243.394 4.405 10 0 BIAERO CCCCC[C@H]([NH2+]C)c1ccc(OC(C)C)cc1 ZINC000035498670 168744631 /nfs/dbraw/zinc/74/46/31/168744631.db2.gz GYBXPLATGCSDRC-INIZCTEOSA-N 1 0 249.398 4.315 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(OC(C)C)cc1 ZINC000035498688 169373631 /nfs/dbraw/zinc/37/36/31/169373631.db2.gz GPAGVVADINEYJI-CJNGLKHVSA-N 1 0 249.398 4.171 10 0 BIAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc(OC(C)C)cc1 ZINC000035498690 169495404 /nfs/dbraw/zinc/49/54/04/169495404.db2.gz GPAGVVADINEYJI-BBRMVZONSA-N 1 0 249.398 4.171 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(OC(C)C)cc1 ZINC000035498692 169372246 /nfs/dbraw/zinc/37/22/46/169372246.db2.gz GPAGVVADINEYJI-CZUORRHYSA-N 1 0 249.398 4.171 10 0 BIAERO C[NH2+][C@@H](CCC(C)C)c1ccc(OC(C)C)cc1 ZINC000035498696 173423469 /nfs/dbraw/zinc/42/34/69/173423469.db2.gz ZSXSDSBRKIYVOH-INIZCTEOSA-N 1 0 249.398 4.171 10 0 BIAERO C[NH2+][C@H](CCC(C)C)c1ccc(OC(C)C)cc1 ZINC000035498698 173451561 /nfs/dbraw/zinc/45/15/61/173451561.db2.gz ZSXSDSBRKIYVOH-MRXNPFEDSA-N 1 0 249.398 4.171 10 0 BIAERO C[NH2+][C@H](CC(C)(C)C)c1ccc(OC(C)C)cc1 ZINC000035498781 173451012 /nfs/dbraw/zinc/45/10/12/173451012.db2.gz AGIXCWLGVZBZLV-OAHLLOKOSA-N 1 0 249.398 4.171 10 0 BIAERO CCC(CC)[C@H]([NH2+]C)c1ccc(OC(C)C)cc1 ZINC000035498926 168407265 /nfs/dbraw/zinc/40/72/65/168407265.db2.gz KZHPLCASXJOYHN-INIZCTEOSA-N 1 0 249.398 4.171 10 0 BIAERO C[NH2+][C@H](c1csc2ccccc12)C1CCCC1 ZINC000035499825 173458899 /nfs/dbraw/zinc/45/88/99/173458899.db2.gz WIJLTOSRJGGNAM-HNNXBMFYSA-N 1 0 245.391 4.352 10 0 BIAERO CC[NH2+][C@H](c1ccsc1)c1ccc(C)c(C)c1 ZINC000035509206 170164933 /nfs/dbraw/zinc/16/49/33/170164933.db2.gz VSPQXDSPKXSCST-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(C)c(C)c1 ZINC000035509208 170150079 /nfs/dbraw/zinc/15/00/79/170150079.db2.gz VSPQXDSPKXSCST-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1cccs1)c1ccc(C)c(C)c1 ZINC000035509246 170147569 /nfs/dbraw/zinc/14/75/69/170147569.db2.gz VMLPXBWDRRAENN-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1cccs1)c1ccc(C)c(C)c1 ZINC000035509248 170163156 /nfs/dbraw/zinc/16/31/56/170163156.db2.gz VMLPXBWDRRAENN-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(C)c(C)c1 ZINC000035509343 169373673 /nfs/dbraw/zinc/37/36/73/169373673.db2.gz OZNSUENIOMSOHO-CJNGLKHVSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccc(C)c(C)c1 ZINC000035509345 169495551 /nfs/dbraw/zinc/49/55/51/169495551.db2.gz OZNSUENIOMSOHO-BBRMVZONSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(C)c(C)c1 ZINC000035509347 169372399 /nfs/dbraw/zinc/37/23/99/169372399.db2.gz OZNSUENIOMSOHO-CZUORRHYSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1ccc(C)c(C)c1 ZINC000035509351 170144633 /nfs/dbraw/zinc/14/46/33/170144633.db2.gz MARDERXDTLZTRO-INIZCTEOSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1ccc(C)c(C)c1 ZINC000035509353 170161859 /nfs/dbraw/zinc/16/18/59/170161859.db2.gz MARDERXDTLZTRO-MRXNPFEDSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(C)c(C)c1 ZINC000035509474 170142632 /nfs/dbraw/zinc/14/26/32/170142632.db2.gz WYLFICIOSVWZSX-HNNXBMFYSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(C)c(C)c1 ZINC000035509476 170160665 /nfs/dbraw/zinc/16/06/65/170160665.db2.gz WYLFICIOSVWZSX-OAHLLOKOSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)C1CCCC1 ZINC000035509595 170147816 /nfs/dbraw/zinc/14/78/16/170147816.db2.gz FGCYRRHMKQYIOT-MRXNPFEDSA-N 1 0 231.383 4.144 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)C1CCCC1 ZINC000035509597 170162885 /nfs/dbraw/zinc/16/28/85/170162885.db2.gz FGCYRRHMKQYIOT-INIZCTEOSA-N 1 0 231.383 4.144 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)C(CC)CC ZINC000035509634 170163261 /nfs/dbraw/zinc/16/32/61/170163261.db2.gz OOFAIPIUBWFLIN-INIZCTEOSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)C(CC)CC ZINC000035509636 170147228 /nfs/dbraw/zinc/14/72/28/170147228.db2.gz OOFAIPIUBWFLIN-MRXNPFEDSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)s1)c1cccc(C)c1 ZINC000035510313 170148452 /nfs/dbraw/zinc/14/84/52/170148452.db2.gz HTCIKQIEDLGVKQ-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cccc(C)c1 ZINC000035510315 170164298 /nfs/dbraw/zinc/16/42/98/170164298.db2.gz HTCIKQIEDLGVKQ-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccccc1C ZINC000035510380 170163033 /nfs/dbraw/zinc/16/30/33/170163033.db2.gz MOFCTNMLACJNQG-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccccc1C ZINC000035510382 170147083 /nfs/dbraw/zinc/14/70/83/170147083.db2.gz MOFCTNMLACJNQG-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(C)cc1 ZINC000035510416 170147076 /nfs/dbraw/zinc/14/70/76/170147076.db2.gz ROUIMMRTZMQSNR-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(C)cc1 ZINC000035510418 170163084 /nfs/dbraw/zinc/16/30/84/170163084.db2.gz ROUIMMRTZMQSNR-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1ccc(CC(C)C)cc1)C1CCC1 ZINC000035510659 170147167 /nfs/dbraw/zinc/14/71/67/170147167.db2.gz MFHSQMPATUEVPH-QGZVFWFLSA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@H](c1ccc(CC(C)C)cc1)C1CCC1 ZINC000035510661 170163573 /nfs/dbraw/zinc/16/35/73/170163573.db2.gz MFHSQMPATUEVPH-KRWDZBQOSA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000035510667 170147725 /nfs/dbraw/zinc/14/77/25/170147725.db2.gz LKFVCLHTCFTQTJ-XKQJLSEDSA-N 1 0 245.410 4.192 10 0 BIAERO CC[NH2+][C@H](c1ccc(CC(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000035510669 170163356 /nfs/dbraw/zinc/16/33/56/170163356.db2.gz LKFVCLHTCFTQTJ-IAOVAPTHSA-N 1 0 245.410 4.192 10 0 BIAERO CC[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@H]1C[C@@H]1C ZINC000035510671 170148027 /nfs/dbraw/zinc/14/80/27/170148027.db2.gz LKFVCLHTCFTQTJ-JQFCIGGWSA-N 1 0 245.410 4.192 10 0 BIAERO CC[NH2+][C@H](c1ccc(CC(C)C)cc1)[C@H]1C[C@@H]1C ZINC000035510673 170163129 /nfs/dbraw/zinc/16/31/29/170163129.db2.gz LKFVCLHTCFTQTJ-RRQGHBQHSA-N 1 0 245.410 4.192 10 0 BIAERO CC[NH2+][C@H](c1ccc2c(c1)CCCC2)[C@H](C)CC ZINC000035537077 170164378 /nfs/dbraw/zinc/16/43/78/170164378.db2.gz GNCJVFFRGCWBQU-DYVFJYSZSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@H](c1ccc2c(c1)CCCC2)[C@@H](C)CC ZINC000035537080 170163975 /nfs/dbraw/zinc/16/39/75/170163975.db2.gz GNCJVFFRGCWBQU-GUYCJALGSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCC2)[C@H](C)CC ZINC000035537083 170148340 /nfs/dbraw/zinc/14/83/40/170148340.db2.gz GNCJVFFRGCWBQU-CXAGYDPISA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCC2)[C@@H](C)CC ZINC000035537086 170148751 /nfs/dbraw/zinc/14/87/51/170148751.db2.gz GNCJVFFRGCWBQU-SUMWQHHRSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@@H](CC(C)C)c1ccc2c(c1)CCCC2 ZINC000035537119 170144265 /nfs/dbraw/zinc/14/42/65/170144265.db2.gz DUWGPYZJFHWVRV-KRWDZBQOSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@H](CC(C)C)c1ccc2c(c1)CCCC2 ZINC000035537122 170161038 /nfs/dbraw/zinc/16/10/38/170161038.db2.gz DUWGPYZJFHWVRV-QGZVFWFLSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCC2)C1CCC1 ZINC000035537188 170148298 /nfs/dbraw/zinc/14/82/98/170148298.db2.gz QMYNYXUYGBUOBV-QGZVFWFLSA-N 1 0 243.394 4.016 10 0 BIAERO CC[NH2+][C@H](c1ccc2c(c1)CCCC2)C1CCC1 ZINC000035537191 170163987 /nfs/dbraw/zinc/16/39/87/170163987.db2.gz QMYNYXUYGBUOBV-KRWDZBQOSA-N 1 0 243.394 4.016 10 0 BIAERO CC[NH2+][C@@H](CC1CCCCC1)c1ccc(F)cc1 ZINC000035539813 170144284 /nfs/dbraw/zinc/14/42/84/170144284.db2.gz MNOMAPCPNHLTGX-INIZCTEOSA-N 1 0 249.373 4.447 10 0 BIAERO CC[NH2+][C@H](CC1CCCCC1)c1ccc(F)cc1 ZINC000035539815 170161659 /nfs/dbraw/zinc/16/16/59/170161659.db2.gz MNOMAPCPNHLTGX-MRXNPFEDSA-N 1 0 249.373 4.447 10 0 BIAERO CC[NH2+][C@@H](CCC1CCCC1)c1ccc(F)cc1 ZINC000035540003 170144634 /nfs/dbraw/zinc/14/46/34/170144634.db2.gz CNBHFHZSWNJVCS-INIZCTEOSA-N 1 0 249.373 4.447 10 0 BIAERO CC[NH2+][C@H](CCC1CCCC1)c1ccc(F)cc1 ZINC000035540005 170161643 /nfs/dbraw/zinc/16/16/43/170161643.db2.gz CNBHFHZSWNJVCS-MRXNPFEDSA-N 1 0 249.373 4.447 10 0 BIAERO CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000035540018 170147328 /nfs/dbraw/zinc/14/73/28/170147328.db2.gz LLNXORVLRPJOHX-OAHLLOKOSA-N 1 0 235.346 4.057 10 0 BIAERO CC[NH2+][C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000035540020 170164419 /nfs/dbraw/zinc/16/44/19/170164419.db2.gz LLNXORVLRPJOHX-HNNXBMFYSA-N 1 0 235.346 4.057 10 0 BIAERO CC[NH2+][C@@H](CC1CCCCC1)c1ccccc1 ZINC000035540497 170143823 /nfs/dbraw/zinc/14/38/23/170143823.db2.gz ATRZOUQEMIPXJK-INIZCTEOSA-N 1 0 231.383 4.308 10 0 BIAERO CC[NH2+][C@H](CC1CCCCC1)c1ccccc1 ZINC000035540498 170161847 /nfs/dbraw/zinc/16/18/47/170161847.db2.gz ATRZOUQEMIPXJK-MRXNPFEDSA-N 1 0 231.383 4.308 10 0 BIAERO CC[NH2+][C@@H](CCC1CCCC1)c1ccccc1 ZINC000035540579 170145239 /nfs/dbraw/zinc/14/52/39/170145239.db2.gz LYVWZNWRTWMJCZ-INIZCTEOSA-N 1 0 231.383 4.308 10 0 BIAERO CC[NH2+][C@H](CCC1CCCC1)c1ccccc1 ZINC000035540580 170161404 /nfs/dbraw/zinc/16/14/04/170161404.db2.gz LYVWZNWRTWMJCZ-MRXNPFEDSA-N 1 0 231.383 4.308 10 0 BIAERO CC[NH2+][C@@H](c1ccccc1)c1cc(C)cc(C)c1 ZINC000035540581 170148139 /nfs/dbraw/zinc/14/81/39/170148139.db2.gz VUOQEXOLXINPAE-KRWDZBQOSA-N 1 0 239.362 4.002 10 0 BIAERO CC[NH2+][C@H](c1ccccc1)c1cc(C)cc(C)c1 ZINC000035540582 170164205 /nfs/dbraw/zinc/16/42/05/170164205.db2.gz VUOQEXOLXINPAE-QGZVFWFLSA-N 1 0 239.362 4.002 10 0 BIAERO CC[NH2+][C@@H](c1ccccc1)c1cccc(C)c1C ZINC000035540619 170148652 /nfs/dbraw/zinc/14/86/52/170148652.db2.gz BERRLYVTDGYZPX-KRWDZBQOSA-N 1 0 239.362 4.002 10 0 BIAERO CC[NH2+][C@H](c1ccccc1)c1cccc(C)c1C ZINC000035540620 170164779 /nfs/dbraw/zinc/16/47/79/170164779.db2.gz BERRLYVTDGYZPX-QGZVFWFLSA-N 1 0 239.362 4.002 10 0 BIAERO CC[NH2+][C@H](c1sccc1C)c1ccc(C)cc1 ZINC000035540936 170147642 /nfs/dbraw/zinc/14/76/42/170147642.db2.gz PXDXXFCZBAZCBA-AWEZNQCLSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(C)cc1 ZINC000035540937 170163067 /nfs/dbraw/zinc/16/30/67/170163067.db2.gz PXDXXFCZBAZCBA-CQSZACIVSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)cc1)C1CCCCC1 ZINC000035541094 170147819 /nfs/dbraw/zinc/14/78/19/170147819.db2.gz SAMJUDAZVLVJBV-MRXNPFEDSA-N 1 0 231.383 4.226 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)cc1)C1CCCCC1 ZINC000035541095 170163147 /nfs/dbraw/zinc/16/31/47/170163147.db2.gz SAMJUDAZVLVJBV-INIZCTEOSA-N 1 0 231.383 4.226 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(C)c1 ZINC000035541120 170147244 /nfs/dbraw/zinc/14/72/44/170147244.db2.gz HHIKZXNVZFFSJC-KRWDZBQOSA-N 1 0 239.362 4.002 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1cccc(C)c1 ZINC000035541121 170163154 /nfs/dbraw/zinc/16/31/54/170163154.db2.gz HHIKZXNVZFFSJC-QGZVFWFLSA-N 1 0 239.362 4.002 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccccc1C ZINC000035541144 170147014 /nfs/dbraw/zinc/14/70/14/170147014.db2.gz IVQALNBDICGGMD-KRWDZBQOSA-N 1 0 239.362 4.002 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1ccccc1C ZINC000035541145 170163050 /nfs/dbraw/zinc/16/30/50/170163050.db2.gz IVQALNBDICGGMD-QGZVFWFLSA-N 1 0 239.362 4.002 10 0 BIAERO CC[NH2+]C(c1ccc(C)cc1)c1ccc(C)cc1 ZINC000035541162 170107898 /nfs/dbraw/zinc/10/78/98/170107898.db2.gz HDBLSVITTVFPRY-UHFFFAOYSA-N 1 0 239.362 4.002 10 0 BIAERO CCCCC[C@H]([NH2+]CC)c1ccc(OCC)cc1 ZINC000035541247 168744996 /nfs/dbraw/zinc/74/49/96/168744996.db2.gz OUMSTCUCNWBEKI-INIZCTEOSA-N 1 0 249.398 4.316 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(OCC)cc1 ZINC000035541257 169373055 /nfs/dbraw/zinc/37/30/55/169373055.db2.gz VLFNYKQEEHJSFR-CJNGLKHVSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccc(OCC)cc1 ZINC000035541258 169495411 /nfs/dbraw/zinc/49/54/11/169495411.db2.gz VLFNYKQEEHJSFR-BBRMVZONSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(OCC)cc1 ZINC000035541259 169372601 /nfs/dbraw/zinc/37/26/01/169372601.db2.gz VLFNYKQEEHJSFR-CZUORRHYSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1ccc(OCC)cc1 ZINC000035541261 170145450 /nfs/dbraw/zinc/14/54/50/170145450.db2.gz GNTNFYNMTBXVPJ-INIZCTEOSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1ccc(OCC)cc1 ZINC000035541262 170161819 /nfs/dbraw/zinc/16/18/19/170161819.db2.gz GNTNFYNMTBXVPJ-MRXNPFEDSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(OCC)cc1 ZINC000035541305 170143266 /nfs/dbraw/zinc/14/32/66/170143266.db2.gz VSHNEQHWEQGETF-HNNXBMFYSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(OCC)cc1 ZINC000035541306 170161074 /nfs/dbraw/zinc/16/10/74/170161074.db2.gz VSHNEQHWEQGETF-OAHLLOKOSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](c1ccc(OCC)cc1)C(CC)CC ZINC000035541369 170163986 /nfs/dbraw/zinc/16/39/86/170163986.db2.gz BDEMLBKSEMQXMW-INIZCTEOSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)C(CC)CC ZINC000035541370 170148399 /nfs/dbraw/zinc/14/83/99/170148399.db2.gz BDEMLBKSEMQXMW-MRXNPFEDSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@@H](c1c(C)c(C)c(C)c(C)c1C)C1CC1 ZINC000035542112 170146495 /nfs/dbraw/zinc/14/64/95/170146495.db2.gz PWHKNMFAXAXCNZ-QGZVFWFLSA-N 1 0 245.410 4.289 10 0 BIAERO CC[NH2+][C@H](c1c(C)c(C)c(C)c(C)c1C)C1CC1 ZINC000035542113 170163049 /nfs/dbraw/zinc/16/30/49/170163049.db2.gz PWHKNMFAXAXCNZ-KRWDZBQOSA-N 1 0 245.410 4.289 10 0 BIAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(C)cc1C ZINC000035542542 170149715 /nfs/dbraw/zinc/14/97/15/170149715.db2.gz GKKJWXKCHIVPII-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1ccsc1)c1ccc(C)cc1C ZINC000035542544 170165315 /nfs/dbraw/zinc/16/53/15/170165315.db2.gz GKKJWXKCHIVPII-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1cccs1)c1ccc(C)cc1C ZINC000035542579 170165017 /nfs/dbraw/zinc/16/50/17/170165017.db2.gz ORNHBEXSMMKVQC-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1cccs1)c1ccc(C)cc1C ZINC000035542581 170148423 /nfs/dbraw/zinc/14/84/23/170148423.db2.gz ORNHBEXSMMKVQC-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(C)cc1C ZINC000035542665 169373244 /nfs/dbraw/zinc/37/32/44/169373244.db2.gz CHGRVMQZPFZQSQ-CJNGLKHVSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(C)cc1C ZINC000035542668 169372587 /nfs/dbraw/zinc/37/25/87/169372587.db2.gz CHGRVMQZPFZQSQ-CZUORRHYSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1ccc(C)cc1C ZINC000035542671 170144836 /nfs/dbraw/zinc/14/48/36/170144836.db2.gz FASPOLWYEBZKKK-INIZCTEOSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1ccc(C)cc1C ZINC000035542672 170161863 /nfs/dbraw/zinc/16/18/63/170161863.db2.gz FASPOLWYEBZKKK-MRXNPFEDSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(C)cc1C ZINC000035542788 170143336 /nfs/dbraw/zinc/14/33/36/170143336.db2.gz CQNVLAAAUWRKRK-HNNXBMFYSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(C)cc1C ZINC000035542790 170161024 /nfs/dbraw/zinc/16/10/24/170161024.db2.gz CQNVLAAAUWRKRK-OAHLLOKOSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)cc1C)C1CCCC1 ZINC000035542891 170148035 /nfs/dbraw/zinc/14/80/35/170148035.db2.gz UYNRDFCDSRTVBQ-MRXNPFEDSA-N 1 0 231.383 4.144 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)cc1C)C1CCCC1 ZINC000035542893 170163164 /nfs/dbraw/zinc/16/31/64/170163164.db2.gz UYNRDFCDSRTVBQ-INIZCTEOSA-N 1 0 231.383 4.144 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)cc1C)C(CC)CC ZINC000035542925 170163596 /nfs/dbraw/zinc/16/35/96/170163596.db2.gz YILINBISWDLPQH-INIZCTEOSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)cc1C)C(CC)CC ZINC000035542926 170147528 /nfs/dbraw/zinc/14/75/28/170147528.db2.gz YILINBISWDLPQH-MRXNPFEDSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(OC)cc1C ZINC000035543098 169373376 /nfs/dbraw/zinc/37/33/76/169373376.db2.gz IFNVRNNVWGIMTH-WBMJQRKESA-N 1 0 249.398 4.090 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(OC)cc1C ZINC000035543102 169372332 /nfs/dbraw/zinc/37/23/32/169372332.db2.gz IFNVRNNVWGIMTH-MLGOLLRUSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1ccc(OC)cc1C ZINC000035543106 170144793 /nfs/dbraw/zinc/14/47/93/170144793.db2.gz BYQOZQSIBHRGES-INIZCTEOSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1ccc(OC)cc1C ZINC000035543108 170161494 /nfs/dbraw/zinc/16/14/94/170161494.db2.gz BYQOZQSIBHRGES-MRXNPFEDSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)cc1C ZINC000035543194 170143006 /nfs/dbraw/zinc/14/30/06/170143006.db2.gz XYVAUTGZQKWDBP-HNNXBMFYSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(OC)cc1C ZINC000035543196 170160892 /nfs/dbraw/zinc/16/08/92/170160892.db2.gz XYVAUTGZQKWDBP-OAHLLOKOSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@H](c1ccc(OC)cc1C)C(CC)CC ZINC000035543346 170164050 /nfs/dbraw/zinc/16/40/50/170164050.db2.gz QPSLFGNKTBORSH-INIZCTEOSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)C(CC)CC ZINC000035543348 170147381 /nfs/dbraw/zinc/14/73/81/170147381.db2.gz QPSLFGNKTBORSH-MRXNPFEDSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1cc(F)ccc1F ZINC000035543531 169372302 /nfs/dbraw/zinc/37/23/02/169372302.db2.gz BBZZJMIWERNTSW-QMTHXVAHSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1cc(F)ccc1F ZINC000035543535 170145251 /nfs/dbraw/zinc/14/52/51/170145251.db2.gz VTOQTGZBNHHYCB-AWEZNQCLSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1cc(F)ccc1F ZINC000035543537 170161528 /nfs/dbraw/zinc/16/15/28/170161528.db2.gz VTOQTGZBNHHYCB-CQSZACIVSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](CC(C)(C)C)c1cc(F)ccc1F ZINC000035543656 170143033 /nfs/dbraw/zinc/14/30/33/170143033.db2.gz BOZNEVNENGLAKV-ZDUSSCGKSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](CC(C)(C)C)c1cc(F)ccc1F ZINC000035543658 170160770 /nfs/dbraw/zinc/16/07/70/170160770.db2.gz BOZNEVNENGLAKV-CYBMUJFWSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](c1cc(F)ccc1F)C(CC)CC ZINC000035543824 170163342 /nfs/dbraw/zinc/16/33/42/170163342.db2.gz NPJHDFRJEYKGKO-AWEZNQCLSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](c1cc(F)ccc1F)C(CC)CC ZINC000035543826 170147620 /nfs/dbraw/zinc/14/76/20/170147620.db2.gz NPJHDFRJEYKGKO-CQSZACIVSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](c1ccc([C@H](C)CC)cc1)C1CC1 ZINC000035544264 170148342 /nfs/dbraw/zinc/14/83/42/170148342.db2.gz KEWKANFIFSYWBW-WBMJQRKESA-N 1 0 231.383 4.261 10 0 BIAERO CC[NH2+][C@@H](c1ccc([C@@H](C)CC)cc1)C1CC1 ZINC000035544267 170148293 /nfs/dbraw/zinc/14/82/93/170148293.db2.gz KEWKANFIFSYWBW-LRDDRELGSA-N 1 0 231.383 4.261 10 0 BIAERO CC[NH2+][C@H](c1ccc([C@H](C)CC)cc1)C1CC1 ZINC000035544270 170164125 /nfs/dbraw/zinc/16/41/25/170164125.db2.gz KEWKANFIFSYWBW-MLGOLLRUSA-N 1 0 231.383 4.261 10 0 BIAERO CC[NH2+][C@H](c1ccc([C@@H](C)CC)cc1)C1CC1 ZINC000035544273 170164195 /nfs/dbraw/zinc/16/41/95/170164195.db2.gz KEWKANFIFSYWBW-BLLLJJGKSA-N 1 0 231.383 4.261 10 0 BIAERO CC[NH2+][C@@H](c1cccs1)c1cc(C)ccc1C ZINC000035545426 170148366 /nfs/dbraw/zinc/14/83/66/170148366.db2.gz SGIBAYBRKNLACL-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1cccs1)c1cc(C)ccc1C ZINC000035545428 170164716 /nfs/dbraw/zinc/16/47/16/170164716.db2.gz SGIBAYBRKNLACL-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1cccs1)c1cc(C)cc(C)c1 ZINC000035545543 170163399 /nfs/dbraw/zinc/16/33/99/170163399.db2.gz NOVITLZTQMDNBD-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1cccs1)c1cc(C)cc(C)c1 ZINC000035545545 170146697 /nfs/dbraw/zinc/14/66/97/170146697.db2.gz NOVITLZTQMDNBD-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1cccs1)c1cccc(C)c1C ZINC000035545616 170165261 /nfs/dbraw/zinc/16/52/61/170165261.db2.gz MFNXFCCHCCSGAV-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1cccs1)c1cccc(C)c1C ZINC000035545617 170148492 /nfs/dbraw/zinc/14/84/92/170148492.db2.gz MFNXFCCHCCSGAV-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1ccsc1)c1cc(C)ccc1C ZINC000035546266 170149266 /nfs/dbraw/zinc/14/92/66/170149266.db2.gz BILMJDKLJVVWFX-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1ccsc1)c1cc(C)ccc1C ZINC000035546268 170164712 /nfs/dbraw/zinc/16/47/12/170164712.db2.gz BILMJDKLJVVWFX-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1cc(C)ccc1C ZINC000035546446 169373563 /nfs/dbraw/zinc/37/35/63/169373563.db2.gz PRTPFODQTRWADS-ZBFHGGJFSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1cc(C)ccc1C ZINC000035546451 169372664 /nfs/dbraw/zinc/37/26/64/169372664.db2.gz PRTPFODQTRWADS-GDBMZVCRSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1cc(C)ccc1C ZINC000035546455 170145393 /nfs/dbraw/zinc/14/53/93/170145393.db2.gz KRQWKBLVEYJACB-INIZCTEOSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1cc(C)ccc1C ZINC000035546457 170161422 /nfs/dbraw/zinc/16/14/22/170161422.db2.gz KRQWKBLVEYJACB-MRXNPFEDSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](CC(C)(C)C)c1cc(C)ccc1C ZINC000035546575 170142679 /nfs/dbraw/zinc/14/26/79/170142679.db2.gz SHVHBCNRLWYYLP-HNNXBMFYSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@H](CC(C)(C)C)c1cc(C)ccc1C ZINC000035546577 170160768 /nfs/dbraw/zinc/16/07/68/170160768.db2.gz SHVHBCNRLWYYLP-OAHLLOKOSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](c1cc(C)ccc1C)C1CCCC1 ZINC000035546672 170148000 /nfs/dbraw/zinc/14/80/00/170148000.db2.gz JQXDHPUTISKMPB-MRXNPFEDSA-N 1 0 231.383 4.144 10 0 BIAERO CC[NH2+][C@H](c1cc(C)ccc1C)C1CCCC1 ZINC000035546674 170162918 /nfs/dbraw/zinc/16/29/18/170162918.db2.gz JQXDHPUTISKMPB-INIZCTEOSA-N 1 0 231.383 4.144 10 0 BIAERO CC[NH2+][C@H](c1cc(C)ccc1C)C(CC)CC ZINC000035546707 170162929 /nfs/dbraw/zinc/16/29/29/170162929.db2.gz VXNDHZWURBJIOP-INIZCTEOSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](c1cc(C)ccc1C)C(CC)CC ZINC000035546709 170147377 /nfs/dbraw/zinc/14/73/77/170147377.db2.gz VXNDHZWURBJIOP-MRXNPFEDSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)C1CCC1 ZINC000035547202 170146110 /nfs/dbraw/zinc/14/61/10/170146110.db2.gz CVZRBNMHULLTNR-QGZVFWFLSA-N 1 0 245.410 4.371 10 0 BIAERO CC[NH2+][C@H](c1c(C)c(C)cc(C)c1C)C1CCC1 ZINC000035547204 170163416 /nfs/dbraw/zinc/16/34/16/170163416.db2.gz CVZRBNMHULLTNR-KRWDZBQOSA-N 1 0 245.410 4.371 10 0 BIAERO CC[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)[C@@H]1C[C@@H]1C ZINC000035547210 170146875 /nfs/dbraw/zinc/14/68/75/170146875.db2.gz OUFIILBWCSRHFF-XGWLTEMNSA-N 1 0 245.410 4.227 10 0 BIAERO CC[NH2+][C@H](c1c(C)c(C)cc(C)c1C)[C@@H]1C[C@@H]1C ZINC000035547212 170163553 /nfs/dbraw/zinc/16/35/53/170163553.db2.gz OUFIILBWCSRHFF-MJEQTWJJSA-N 1 0 245.410 4.227 10 0 BIAERO CC[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)[C@H]1C[C@@H]1C ZINC000035547214 170146431 /nfs/dbraw/zinc/14/64/31/170146431.db2.gz OUFIILBWCSRHFF-YLQAJVPDSA-N 1 0 245.410 4.227 10 0 BIAERO CC[NH2+][C@H](c1c(C)c(C)cc(C)c1C)[C@H]1C[C@@H]1C ZINC000035547216 170162958 /nfs/dbraw/zinc/16/29/58/170162958.db2.gz OUFIILBWCSRHFF-NUTKFTJISA-N 1 0 245.410 4.227 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(F)cc1F ZINC000035547372 169372524 /nfs/dbraw/zinc/37/25/24/169372524.db2.gz NXNKHYKQJUFKQA-QMTHXVAHSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1ccc(F)cc1F ZINC000035547376 170145196 /nfs/dbraw/zinc/14/51/96/170145196.db2.gz OGPKGMQXIIPHNU-AWEZNQCLSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1ccc(F)cc1F ZINC000035547378 170161906 /nfs/dbraw/zinc/16/19/06/170161906.db2.gz OGPKGMQXIIPHNU-CQSZACIVSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1F ZINC000035547489 170143013 /nfs/dbraw/zinc/14/30/13/170143013.db2.gz PXAMOQYZNUDOCU-ZDUSSCGKSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1F ZINC000035547491 170160867 /nfs/dbraw/zinc/16/08/67/170160867.db2.gz PXAMOQYZNUDOCU-CYBMUJFWSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](c1ccc(F)cc1F)C(CC)CC ZINC000035547623 170164124 /nfs/dbraw/zinc/16/41/24/170164124.db2.gz FOWWBZKCWZUXMC-AWEZNQCLSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](c1ccc(F)cc1F)C(CC)CC ZINC000035547624 170147170 /nfs/dbraw/zinc/14/71/70/170147170.db2.gz FOWWBZKCWZUXMC-CQSZACIVSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](c1c(C)cc(C)cc1C)C(C)(C)C ZINC000035547734 170146843 /nfs/dbraw/zinc/14/68/43/170146843.db2.gz FNJBCIVKWMADAK-HNNXBMFYSA-N 1 0 233.399 4.309 10 0 BIAERO CC[NH2+][C@H](c1c(C)cc(C)cc1C)C(C)(C)C ZINC000035547736 170162995 /nfs/dbraw/zinc/16/29/95/170162995.db2.gz FNJBCIVKWMADAK-OAHLLOKOSA-N 1 0 233.399 4.309 10 0 BIAERO CC[NH2+][C@H](c1c(C)cc(C)cc1C)[C@H](C)CC ZINC000035547836 170163163 /nfs/dbraw/zinc/16/31/63/170163163.db2.gz UGKFFCLUWVIDBX-WBMJQRKESA-N 1 0 233.399 4.309 10 0 BIAERO CC[NH2+][C@H](c1c(C)cc(C)cc1C)[C@@H](C)CC ZINC000035547838 170163612 /nfs/dbraw/zinc/16/36/12/170163612.db2.gz UGKFFCLUWVIDBX-LRDDRELGSA-N 1 0 233.399 4.309 10 0 BIAERO CC[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@H](C)CC ZINC000035547839 170146618 /nfs/dbraw/zinc/14/66/18/170146618.db2.gz UGKFFCLUWVIDBX-MLGOLLRUSA-N 1 0 233.399 4.309 10 0 BIAERO CC[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@@H](C)CC ZINC000035547841 170146366 /nfs/dbraw/zinc/14/63/66/170146366.db2.gz UGKFFCLUWVIDBX-BLLLJJGKSA-N 1 0 233.399 4.309 10 0 BIAERO CC[NH2+][C@@H](CC(C)C)c1c(C)cc(C)cc1C ZINC000035547881 170142613 /nfs/dbraw/zinc/14/26/13/170142613.db2.gz KMNBEYXLZBNBMC-HNNXBMFYSA-N 1 0 233.399 4.309 10 0 BIAERO CC[NH2+][C@H](CC(C)C)c1c(C)cc(C)cc1C ZINC000035547883 170160854 /nfs/dbraw/zinc/16/08/54/170160854.db2.gz KMNBEYXLZBNBMC-OAHLLOKOSA-N 1 0 233.399 4.309 10 0 BIAERO CC[NH2+][C@@H](c1c(C)cc(C)cc1C)C1CCCC1 ZINC000035547943 170145900 /nfs/dbraw/zinc/14/59/00/170145900.db2.gz HMIOXCYOPCGUOJ-QGZVFWFLSA-N 1 0 245.410 4.453 10 0 BIAERO CC[NH2+][C@H](c1c(C)cc(C)cc1C)C1CCCC1 ZINC000035547945 170163228 /nfs/dbraw/zinc/16/32/28/170163228.db2.gz HMIOXCYOPCGUOJ-KRWDZBQOSA-N 1 0 245.410 4.453 10 0 BIAERO CC[NH2+][C@@H](c1c(C)cc(C)cc1C)C1CCC1 ZINC000035547947 170146421 /nfs/dbraw/zinc/14/64/21/170146421.db2.gz QTTWXYJAKXVJMY-MRXNPFEDSA-N 1 0 231.383 4.063 10 0 BIAERO CC[NH2+][C@H](c1c(C)cc(C)cc1C)C1CCC1 ZINC000035547949 170162866 /nfs/dbraw/zinc/16/28/66/170162866.db2.gz QTTWXYJAKXVJMY-INIZCTEOSA-N 1 0 231.383 4.063 10 0 BIAERO CCCCc1ccc([C@H]([NH2+]CC)C2CC2)cc1 ZINC000035548126 169022965 /nfs/dbraw/zinc/02/29/65/169022965.db2.gz JTKMUTRTWFELFQ-INIZCTEOSA-N 1 0 231.383 4.090 10 0 BIAERO CCCCc1ccc([C@@H]([NH2+]CC)C2CC2)cc1 ZINC000035548128 169022108 /nfs/dbraw/zinc/02/21/08/169022108.db2.gz JTKMUTRTWFELFQ-MRXNPFEDSA-N 1 0 231.383 4.090 10 0 BIAERO CCCCc1ccc([C@H]([NH2+]CC)C2CCC2)cc1 ZINC000035548177 169023305 /nfs/dbraw/zinc/02/33/05/169023305.db2.gz HVGRVVBOLVUAOI-QGZVFWFLSA-N 1 0 245.410 4.480 10 0 BIAERO CCCCc1ccc([C@@H]([NH2+]CC)C2CCC2)cc1 ZINC000035548179 169022820 /nfs/dbraw/zinc/02/28/20/169022820.db2.gz HVGRVVBOLVUAOI-KRWDZBQOSA-N 1 0 245.410 4.480 10 0 BIAERO CCCCc1ccc([C@H]([NH2+]CC)[C@@H]2C[C@@H]2C)cc1 ZINC000035548185 169023446 /nfs/dbraw/zinc/02/34/46/169023446.db2.gz LTVMFFYZYQJQFT-XKQJLSEDSA-N 1 0 245.410 4.336 10 0 BIAERO CCCCc1ccc([C@@H]([NH2+]CC)[C@@H]2C[C@@H]2C)cc1 ZINC000035548187 169023630 /nfs/dbraw/zinc/02/36/30/169023630.db2.gz LTVMFFYZYQJQFT-IAOVAPTHSA-N 1 0 245.410 4.336 10 0 BIAERO CCCCc1ccc([C@H]([NH2+]CC)[C@H]2C[C@@H]2C)cc1 ZINC000035548189 169022921 /nfs/dbraw/zinc/02/29/21/169022921.db2.gz LTVMFFYZYQJQFT-JQFCIGGWSA-N 1 0 245.410 4.336 10 0 BIAERO CCCCc1ccc([C@@H]([NH2+]CC)[C@H]2C[C@@H]2C)cc1 ZINC000035548191 169023460 /nfs/dbraw/zinc/02/34/60/169023460.db2.gz LTVMFFYZYQJQFT-RRQGHBQHSA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000035548339 170147213 /nfs/dbraw/zinc/14/72/13/170147213.db2.gz FIUYCQLAQBHCLP-OAHLLOKOSA-N 1 0 231.383 4.045 10 0 BIAERO CC[NH2+][C@H](c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000035548342 170163436 /nfs/dbraw/zinc/16/34/36/170163436.db2.gz FIUYCQLAQBHCLP-HNNXBMFYSA-N 1 0 231.383 4.045 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)C1CCC1 ZINC000035548398 170147136 /nfs/dbraw/zinc/14/71/36/170147136.db2.gz JPYHECUXZPLXNJ-MRXNPFEDSA-N 1 0 245.410 4.435 10 0 BIAERO CC[NH2+][C@H](c1ccc(C(C)(C)C)cc1)C1CCC1 ZINC000035548401 170162945 /nfs/dbraw/zinc/16/29/45/170162945.db2.gz JPYHECUXZPLXNJ-INIZCTEOSA-N 1 0 245.410 4.435 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000035548410 170147609 /nfs/dbraw/zinc/14/76/09/170147609.db2.gz KSPGYHYSUCPGQR-MAZHCROVSA-N 1 0 245.410 4.291 10 0 BIAERO CC[NH2+][C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000035548413 170163247 /nfs/dbraw/zinc/16/32/47/170163247.db2.gz KSPGYHYSUCPGQR-APHBMKBZSA-N 1 0 245.410 4.291 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)[C@H]1C[C@@H]1C ZINC000035548416 170146983 /nfs/dbraw/zinc/14/69/83/170146983.db2.gz KSPGYHYSUCPGQR-RCBQFDQVSA-N 1 0 245.410 4.291 10 0 BIAERO CC[NH2+][C@H](c1ccc(C(C)(C)C)cc1)[C@H]1C[C@@H]1C ZINC000035548419 170163115 /nfs/dbraw/zinc/16/31/15/170163115.db2.gz KSPGYHYSUCPGQR-VBNZEHGJSA-N 1 0 245.410 4.291 10 0 BIAERO CCCCC[C@H]([NH2+]CC)c1ccc(F)c(F)c1 ZINC000035548745 168745005 /nfs/dbraw/zinc/74/50/05/168745005.db2.gz FJCAYOCEGXFNEZ-AWEZNQCLSA-N 1 0 241.325 4.196 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(F)c(F)c1 ZINC000035548780 169373596 /nfs/dbraw/zinc/37/35/96/169373596.db2.gz WTEATIOARXLPCL-YGRLFVJLSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(F)c(F)c1 ZINC000035548786 169372272 /nfs/dbraw/zinc/37/22/72/169372272.db2.gz WTEATIOARXLPCL-QMTHXVAHSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1ccc(F)c(F)c1 ZINC000035548793 170144920 /nfs/dbraw/zinc/14/49/20/170144920.db2.gz VVAVHEUNWLJMBU-AWEZNQCLSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1ccc(F)c(F)c1 ZINC000035548796 170161787 /nfs/dbraw/zinc/16/17/87/170161787.db2.gz VVAVHEUNWLJMBU-CQSZACIVSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)c(F)c1 ZINC000035548956 170142741 /nfs/dbraw/zinc/14/27/41/170142741.db2.gz HSZDEOYXGFKVPJ-ZDUSSCGKSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(F)c(F)c1 ZINC000035548959 170160898 /nfs/dbraw/zinc/16/08/98/170160898.db2.gz HSZDEOYXGFKVPJ-CYBMUJFWSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)C(CC)CC ZINC000035549168 170164144 /nfs/dbraw/zinc/16/41/44/170164144.db2.gz YIFWDSGNEAZKAU-AWEZNQCLSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(CC)CC ZINC000035549171 170147850 /nfs/dbraw/zinc/14/78/50/170147850.db2.gz YIFWDSGNEAZKAU-CQSZACIVSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](c1ccsc1)c1ccc(CC)cc1 ZINC000035549224 170147097 /nfs/dbraw/zinc/14/70/97/170147097.db2.gz HWMPSOFDUDIPJZ-HNNXBMFYSA-N 1 0 245.391 4.009 10 0 BIAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(CC)cc1 ZINC000035549226 170163123 /nfs/dbraw/zinc/16/31/23/170163123.db2.gz HWMPSOFDUDIPJZ-OAHLLOKOSA-N 1 0 245.391 4.009 10 0 BIAERO CCCCC[C@@H]([NH2+]CC)c1ccc(CC)cc1 ZINC000035549375 168740835 /nfs/dbraw/zinc/74/08/35/168740835.db2.gz YPAVFVBSHUUXAC-MRXNPFEDSA-N 1 0 233.399 4.480 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(CC)cc1 ZINC000035549405 169373575 /nfs/dbraw/zinc/37/35/75/169373575.db2.gz BXLDLSNJZZECMO-CJNGLKHVSA-N 1 0 233.399 4.336 10 0 BIAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccc(CC)cc1 ZINC000035549407 169495378 /nfs/dbraw/zinc/49/53/78/169495378.db2.gz BXLDLSNJZZECMO-BBRMVZONSA-N 1 0 233.399 4.336 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(CC)cc1 ZINC000035549410 169372463 /nfs/dbraw/zinc/37/24/63/169372463.db2.gz BXLDLSNJZZECMO-CZUORRHYSA-N 1 0 233.399 4.336 10 0 BIAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc(CC)cc1 ZINC000035549412 169494934 /nfs/dbraw/zinc/49/49/34/169494934.db2.gz BXLDLSNJZZECMO-XJKSGUPXSA-N 1 0 233.399 4.336 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1ccc(CC)cc1 ZINC000035549415 170161867 /nfs/dbraw/zinc/16/18/67/170161867.db2.gz BZJSJXCDWRXFMY-MRXNPFEDSA-N 1 0 233.399 4.336 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1ccc(CC)cc1 ZINC000035549418 170144949 /nfs/dbraw/zinc/14/49/49/170144949.db2.gz BZJSJXCDWRXFMY-INIZCTEOSA-N 1 0 233.399 4.336 10 0 BIAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(CC)cc1 ZINC000035549562 170160856 /nfs/dbraw/zinc/16/08/56/170160856.db2.gz AUWKJYKPNHHZIF-OAHLLOKOSA-N 1 0 233.399 4.336 10 0 BIAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(CC)cc1 ZINC000035549565 170142705 /nfs/dbraw/zinc/14/27/05/170142705.db2.gz AUWKJYKPNHHZIF-HNNXBMFYSA-N 1 0 233.399 4.336 10 0 BIAERO CC[NH2+][C@@H](c1ccc(CC)cc1)C1CCCCC1 ZINC000035549590 170147524 /nfs/dbraw/zinc/14/75/24/170147524.db2.gz YGHXCHABBCQOGW-QGZVFWFLSA-N 1 0 245.410 4.480 10 0 BIAERO CC[NH2+][C@H](c1ccc(CC)cc1)C1CCCCC1 ZINC000035549593 170163091 /nfs/dbraw/zinc/16/30/91/170163091.db2.gz YGHXCHABBCQOGW-KRWDZBQOSA-N 1 0 245.410 4.480 10 0 BIAERO CC[NH2+][C@@H](c1ccc(CC)cc1)C1CCCC1 ZINC000035549706 170147060 /nfs/dbraw/zinc/14/70/60/170147060.db2.gz GZUBDIWHWVTWDR-MRXNPFEDSA-N 1 0 231.383 4.090 10 0 BIAERO CC[NH2+][C@H](c1ccc(CC)cc1)C1CCCC1 ZINC000035549709 170162919 /nfs/dbraw/zinc/16/29/19/170162919.db2.gz GZUBDIWHWVTWDR-INIZCTEOSA-N 1 0 231.383 4.090 10 0 BIAERO CC[NH2+][C@@H](c1ccc(CC)cc1)C(CC)CC ZINC000035549758 170147615 /nfs/dbraw/zinc/14/76/15/170147615.db2.gz JLSUBUPEZXPOIJ-MRXNPFEDSA-N 1 0 233.399 4.336 10 0 BIAERO CC[NH2+][C@H](c1ccc(CC)cc1)C(CC)CC ZINC000035549760 170163220 /nfs/dbraw/zinc/16/32/20/170163220.db2.gz JLSUBUPEZXPOIJ-INIZCTEOSA-N 1 0 233.399 4.336 10 0 BIAERO CCCc1ccc([C@H]([NH2+]CC)[C@@H](C)CC)cc1 ZINC000035550470 169575057 /nfs/dbraw/zinc/57/50/57/169575057.db2.gz NEBCQSAHRLGLPX-XJKSGUPXSA-N 1 0 233.399 4.336 10 0 BIAERO CCCc1ccc([C@H]([NH2+]CC)[C@H](C)CC)cc1 ZINC000035550477 169575021 /nfs/dbraw/zinc/57/50/21/169575021.db2.gz NEBCQSAHRLGLPX-CZUORRHYSA-N 1 0 233.399 4.336 10 0 BIAERO CCCc1ccc([C@@H](CC(C)C)[NH2+]CC)cc1 ZINC000035550547 169573630 /nfs/dbraw/zinc/57/36/30/169573630.db2.gz HQHAESJGOATDJY-MRXNPFEDSA-N 1 0 233.399 4.336 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(C2CCCCC2)cc1 ZINC000035550821 170142289 /nfs/dbraw/zinc/14/22/89/170142289.db2.gz ZYAGANUCCNEKJA-ZDUSSCGKSA-N 1 0 231.383 4.405 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(C2CCCCC2)cc1 ZINC000035550825 170159231 /nfs/dbraw/zinc/15/92/31/170159231.db2.gz ZYAGANUCCNEKJA-CYBMUJFWSA-N 1 0 231.383 4.405 10 0 BIAERO CCCCC[C@H]([NH2+]CC)c1ccc2c(c1)CCC2 ZINC000035551342 168745372 /nfs/dbraw/zinc/74/53/72/168745372.db2.gz GJAMFRANTMOIJX-KRWDZBQOSA-N 1 0 245.410 4.406 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc2c(c1)CCC2 ZINC000035551371 169373450 /nfs/dbraw/zinc/37/34/50/169373450.db2.gz DORKSFDTRGOVSU-DYVFJYSZSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc2c(c1)CCC2 ZINC000035551377 169372015 /nfs/dbraw/zinc/37/20/15/169372015.db2.gz DORKSFDTRGOVSU-CXAGYDPISA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1ccc2c(c1)CCC2 ZINC000035551383 170144603 /nfs/dbraw/zinc/14/46/03/170144603.db2.gz ZBWVJAZKBPRJKJ-KRWDZBQOSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1ccc2c(c1)CCC2 ZINC000035551386 170161500 /nfs/dbraw/zinc/16/15/00/170161500.db2.gz ZBWVJAZKBPRJKJ-QGZVFWFLSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc2c(c1)CCC2 ZINC000035551488 170142612 /nfs/dbraw/zinc/14/26/12/170142612.db2.gz KPUNFCCKCBVQBM-INIZCTEOSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc2c(c1)CCC2 ZINC000035551491 170160713 /nfs/dbraw/zinc/16/07/13/170160713.db2.gz KPUNFCCKCBVQBM-MRXNPFEDSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)C1CCCC1 ZINC000035551630 170148889 /nfs/dbraw/zinc/14/88/89/170148889.db2.gz GDYVGCJGQYCGEL-QGZVFWFLSA-N 1 0 243.394 4.016 10 0 BIAERO CC[NH2+][C@H](c1ccc2c(c1)CCC2)C1CCCC1 ZINC000035551633 170163832 /nfs/dbraw/zinc/16/38/32/170163832.db2.gz GDYVGCJGQYCGEL-KRWDZBQOSA-N 1 0 243.394 4.016 10 0 BIAERO CC[NH2+][C@H](c1ccc2c(c1)CCC2)C(CC)CC ZINC000035551666 170163962 /nfs/dbraw/zinc/16/39/62/170163962.db2.gz VLRGHFCPCRQSSB-KRWDZBQOSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)C(CC)CC ZINC000035551668 170148418 /nfs/dbraw/zinc/14/84/18/170148418.db2.gz VLRGHFCPCRQSSB-QGZVFWFLSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccccc1 ZINC000035552077 170148706 /nfs/dbraw/zinc/14/87/06/170148706.db2.gz LUSBEXDFNJIIEN-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccccc1 ZINC000035552080 170165027 /nfs/dbraw/zinc/16/50/27/170165027.db2.gz LUSBEXDFNJIIEN-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@H](C)CC ZINC000035554049 170164243 /nfs/dbraw/zinc/16/42/43/170164243.db2.gz NXNAFGAIFKLHPJ-CJNGLKHVSA-N 1 0 249.398 4.171 10 0 BIAERO CC[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@@H](C)CC ZINC000035554052 170164016 /nfs/dbraw/zinc/16/40/16/170164016.db2.gz NXNAFGAIFKLHPJ-BBRMVZONSA-N 1 0 249.398 4.171 10 0 BIAERO CC[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@H](C)CC ZINC000035554056 170147997 /nfs/dbraw/zinc/14/79/97/170147997.db2.gz NXNAFGAIFKLHPJ-CZUORRHYSA-N 1 0 249.398 4.171 10 0 BIAERO CC[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@@H](C)CC ZINC000035554059 170147685 /nfs/dbraw/zinc/14/76/85/170147685.db2.gz NXNAFGAIFKLHPJ-XJKSGUPXSA-N 1 0 249.398 4.171 10 0 BIAERO CC[NH2+][C@@H](CC(C)C)c1ccc(OC(C)C)cc1 ZINC000035554101 170143843 /nfs/dbraw/zinc/14/38/43/170143843.db2.gz GXYRYWQGJSNDGJ-INIZCTEOSA-N 1 0 249.398 4.171 10 0 BIAERO CC[NH2+][C@H](CC(C)C)c1ccc(OC(C)C)cc1 ZINC000035554103 170160722 /nfs/dbraw/zinc/16/07/22/170160722.db2.gz GXYRYWQGJSNDGJ-MRXNPFEDSA-N 1 0 249.398 4.171 10 0 BIAERO CC[NH2+][C@@H](c1csc2ccccc21)C(C)C ZINC000035554982 170149064 /nfs/dbraw/zinc/14/90/64/170149064.db2.gz SMEUDVNDYNFNAH-CQSZACIVSA-N 1 0 233.380 4.208 10 0 BIAERO CC[NH2+][C@H](c1csc2ccccc21)C(C)C ZINC000035554985 170164829 /nfs/dbraw/zinc/16/48/29/170164829.db2.gz SMEUDVNDYNFNAH-AWEZNQCLSA-N 1 0 233.380 4.208 10 0 BIAERO CC[NH2+][C@@H](c1csc2ccccc12)C1CCC1 ZINC000035555361 170149317 /nfs/dbraw/zinc/14/93/17/170149317.db2.gz RLQXCVSEIJSQGL-OAHLLOKOSA-N 1 0 245.391 4.352 10 0 BIAERO CC[NH2+][C@H](c1csc2ccccc12)C1CCC1 ZINC000035555364 170164963 /nfs/dbraw/zinc/16/49/63/170164963.db2.gz RLQXCVSEIJSQGL-HNNXBMFYSA-N 1 0 245.391 4.352 10 0 BIAERO CC[NH2+][C@@H](c1csc2ccccc12)[C@@H]1C[C@@H]1C ZINC000035555378 170150003 /nfs/dbraw/zinc/15/00/03/170150003.db2.gz DTNWBGXIRMSHJX-JVLSTEMRSA-N 1 0 245.391 4.208 10 0 BIAERO CC[NH2+][C@H](c1csc2ccccc12)[C@@H]1C[C@@H]1C ZINC000035555381 170165230 /nfs/dbraw/zinc/16/52/30/170165230.db2.gz DTNWBGXIRMSHJX-NVBFEUDRSA-N 1 0 245.391 4.208 10 0 BIAERO CC[NH2+][C@@H](c1csc2ccccc12)[C@H]1C[C@@H]1C ZINC000035555384 170149306 /nfs/dbraw/zinc/14/93/06/170149306.db2.gz DTNWBGXIRMSHJX-ITDIGPHOSA-N 1 0 245.391 4.208 10 0 BIAERO CC[NH2+][C@H](c1csc2ccccc12)[C@H]1C[C@@H]1C ZINC000035555387 170164786 /nfs/dbraw/zinc/16/47/86/170164786.db2.gz DTNWBGXIRMSHJX-WBIUFABUSA-N 1 0 245.391 4.208 10 0 BIAERO CCCCC[C@H]([NH2+]CC)c1ccc(OC)c(C)c1 ZINC000035571444 168745313 /nfs/dbraw/zinc/74/53/13/168745313.db2.gz VFXJGJUIXZLICV-HNNXBMFYSA-N 1 0 249.398 4.235 10 0 BIAERO CCCCC[C@@H]([NH2+]CC)c1ccc(OC)c(C)c1 ZINC000035571446 168740397 /nfs/dbraw/zinc/74/03/97/168740397.db2.gz VFXJGJUIXZLICV-OAHLLOKOSA-N 1 0 249.398 4.235 10 0 BIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(OC)c(C)c1 ZINC000035571464 169373568 /nfs/dbraw/zinc/37/35/68/169373568.db2.gz FIXXPKDAZBHWRD-WBMJQRKESA-N 1 0 249.398 4.090 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(OC)c(C)c1 ZINC000035571468 169372331 /nfs/dbraw/zinc/37/23/31/169372331.db2.gz FIXXPKDAZBHWRD-MLGOLLRUSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc(OC)c(C)c1 ZINC000035571470 169495067 /nfs/dbraw/zinc/49/50/67/169495067.db2.gz FIXXPKDAZBHWRD-BLLLJJGKSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1ccc(OC)c(C)c1 ZINC000035571472 170144850 /nfs/dbraw/zinc/14/48/50/170144850.db2.gz SGOLXBKPNZNRBS-HNNXBMFYSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1ccc(OC)c(C)c1 ZINC000035571474 170161889 /nfs/dbraw/zinc/16/18/89/170161889.db2.gz SGOLXBKPNZNRBS-OAHLLOKOSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)c(C)c1 ZINC000035571560 170142605 /nfs/dbraw/zinc/14/26/05/170142605.db2.gz MUTRIGSUUATZDN-AWEZNQCLSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(OC)c(C)c1 ZINC000035571561 170160707 /nfs/dbraw/zinc/16/07/07/170160707.db2.gz MUTRIGSUUATZDN-CQSZACIVSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@H](c1ccc(OC)c(C)c1)C(CC)CC ZINC000035571710 170164060 /nfs/dbraw/zinc/16/40/60/170164060.db2.gz VADRSPBRNMVKAE-INIZCTEOSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@@H](c1ccc(OC)c(C)c1)C(CC)CC ZINC000035571712 170147636 /nfs/dbraw/zinc/14/76/36/170147636.db2.gz VADRSPBRNMVKAE-MRXNPFEDSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)C(C)(C)C ZINC000035572780 169279846 /nfs/dbraw/zinc/27/98/46/169279846.db2.gz OSCWWNOUMWLQBZ-HNNXBMFYSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)C(C)(C)C ZINC000035572781 169290188 /nfs/dbraw/zinc/29/01/88/169290188.db2.gz OSCWWNOUMWLQBZ-OAHLLOKOSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@@H](C)CC ZINC000035572834 169279264 /nfs/dbraw/zinc/27/92/64/169279264.db2.gz FNQCHCJXRGYCKR-BLLLJJGKSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H](C)CC ZINC000035572835 169290235 /nfs/dbraw/zinc/29/02/35/169290235.db2.gz FNQCHCJXRGYCKR-LRDDRELGSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@H](C)CC ZINC000035572836 169278938 /nfs/dbraw/zinc/27/89/38/169278938.db2.gz FNQCHCJXRGYCKR-MLGOLLRUSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)[C@H](C)CC ZINC000035572837 169289596 /nfs/dbraw/zinc/28/95/96/169289596.db2.gz FNQCHCJXRGYCKR-WBMJQRKESA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(C)c(C)c1 ZINC000035572860 169276784 /nfs/dbraw/zinc/27/67/84/169276784.db2.gz UFICTYKBCBLGFK-INIZCTEOSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1ccc(C)c(C)c1 ZINC000035572861 169288126 /nfs/dbraw/zinc/28/81/26/169288126.db2.gz UFICTYKBCBLGFK-MRXNPFEDSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)C1CCC1 ZINC000035572904 169279547 /nfs/dbraw/zinc/27/95/47/169279547.db2.gz WREKXDVKAQAVQB-MRXNPFEDSA-N 1 0 231.383 4.144 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)C1CCC1 ZINC000035572905 169289545 /nfs/dbraw/zinc/28/95/45/169289545.db2.gz WREKXDVKAQAVQB-INIZCTEOSA-N 1 0 231.383 4.144 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@@H]1C[C@@H]1C ZINC000035572910 169279783 /nfs/dbraw/zinc/27/97/83/169279783.db2.gz ONNWUNQEOJEWNC-IMJJTQAJSA-N 1 0 231.383 4.000 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H]1C[C@@H]1C ZINC000035572911 169289676 /nfs/dbraw/zinc/28/96/76/169289676.db2.gz ONNWUNQEOJEWNC-NUEKZKHPSA-N 1 0 231.383 4.000 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@H]1C[C@@H]1C ZINC000035572912 169279126 /nfs/dbraw/zinc/27/91/26/169279126.db2.gz ONNWUNQEOJEWNC-BPUTZDHNSA-N 1 0 231.383 4.000 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)c(C)c1)[C@H]1C[C@@H]1C ZINC000035572913 169289593 /nfs/dbraw/zinc/28/95/93/169289593.db2.gz ONNWUNQEOJEWNC-CWRNSKLLSA-N 1 0 231.383 4.000 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(C)s1 ZINC000035573012 169280254 /nfs/dbraw/zinc/28/02/54/169280254.db2.gz KZVPIFZZWILXBM-AWEZNQCLSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(C)s1 ZINC000035573013 169290150 /nfs/dbraw/zinc/29/01/50/169290150.db2.gz KZVPIFZZWILXBM-CQSZACIVSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1occc1C ZINC000035573025 169281176 /nfs/dbraw/zinc/28/11/76/169281176.db2.gz MUPSMAMILMBAPQ-ZDUSSCGKSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1occc1C ZINC000035573026 169289895 /nfs/dbraw/zinc/28/98/95/169289895.db2.gz MUPSMAMILMBAPQ-CYBMUJFWSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccoc1C ZINC000035573033 169289757 /nfs/dbraw/zinc/28/97/57/169289757.db2.gz HXUFTYGWODLHAU-AWEZNQCLSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccoc1C ZINC000035573034 169280325 /nfs/dbraw/zinc/28/03/25/169280325.db2.gz HXUFTYGWODLHAU-CQSZACIVSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000035573349 169280692 /nfs/dbraw/zinc/28/06/92/169280692.db2.gz OHCFBBCNXRBAIF-KRWDZBQOSA-N 1 0 245.410 4.336 10 0 BIAERO CCC[NH2+][C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000035573350 169289573 /nfs/dbraw/zinc/28/95/73/169289573.db2.gz OHCFBBCNXRBAIF-QGZVFWFLSA-N 1 0 245.410 4.336 10 0 BIAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCCC2)C1CC1 ZINC000035573425 169280263 /nfs/dbraw/zinc/28/02/63/169280263.db2.gz YNMVHAZAVGTQEL-QGZVFWFLSA-N 1 0 243.394 4.016 10 0 BIAERO CCC[NH2+][C@H](c1ccc2c(c1)CCCC2)C1CC1 ZINC000035573426 169289966 /nfs/dbraw/zinc/28/99/66/169289966.db2.gz YNMVHAZAVGTQEL-KRWDZBQOSA-N 1 0 243.394 4.016 10 0 BIAERO CCCCC[C@H]([NH2+]CCC)c1ccc(F)cc1 ZINC000035574767 168745454 /nfs/dbraw/zinc/74/54/54/168745454.db2.gz RMKXFUBCTFDFEY-HNNXBMFYSA-N 1 0 237.362 4.447 10 0 BIAERO CCC[NH2+][C@H](c1ccc(F)cc1)[C@H](C)CCC ZINC000035574790 169289776 /nfs/dbraw/zinc/28/97/76/169289776.db2.gz JQJKDAJAPTZUJA-DOMZBBRYSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@H](c1ccc(F)cc1)[C@@H](C)CCC ZINC000035574791 169289781 /nfs/dbraw/zinc/28/97/81/169289781.db2.gz JQJKDAJAPTZUJA-WFASDCNBSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(F)cc1)[C@H](C)CCC ZINC000035574793 169280427 /nfs/dbraw/zinc/28/04/27/169280427.db2.gz JQJKDAJAPTZUJA-IUODEOHRSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(F)cc1)[C@@H](C)CCC ZINC000035574795 169280357 /nfs/dbraw/zinc/28/03/57/169280357.db2.gz JQJKDAJAPTZUJA-SWLSCSKDSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(F)cc1 ZINC000035574796 169277775 /nfs/dbraw/zinc/27/77/75/169277775.db2.gz IMILAPKAVMLHCQ-HNNXBMFYSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(F)cc1 ZINC000035574798 169289252 /nfs/dbraw/zinc/28/92/52/169289252.db2.gz IMILAPKAVMLHCQ-OAHLLOKOSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000035574914 169277165 /nfs/dbraw/zinc/27/71/65/169277165.db2.gz PFDGYVOPKCYWFR-AWEZNQCLSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000035574916 169288278 /nfs/dbraw/zinc/28/82/78/169288278.db2.gz PFDGYVOPKCYWFR-CQSZACIVSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000035574934 169281049 /nfs/dbraw/zinc/28/10/49/169281049.db2.gz PXQFSGRSDDVEDB-MRXNPFEDSA-N 1 0 249.373 4.447 10 0 BIAERO CCC[NH2+][C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000035574936 169289928 /nfs/dbraw/zinc/28/99/28/169289928.db2.gz PXQFSGRSDDVEDB-INIZCTEOSA-N 1 0 249.373 4.447 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000035575026 169280385 /nfs/dbraw/zinc/28/03/85/169280385.db2.gz SZSFGOBJNSDVNV-OAHLLOKOSA-N 1 0 235.346 4.057 10 0 BIAERO CCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000035575028 169289818 /nfs/dbraw/zinc/28/98/18/169289818.db2.gz SZSFGOBJNSDVNV-HNNXBMFYSA-N 1 0 235.346 4.057 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(F)cc1)C(CC)CC ZINC000035575062 169280223 /nfs/dbraw/zinc/28/02/23/169280223.db2.gz AANOCJDYMDMJBN-OAHLLOKOSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@H](c1ccc(F)cc1)C(CC)CC ZINC000035575064 169289549 /nfs/dbraw/zinc/28/95/49/169289549.db2.gz AANOCJDYMDMJBN-HNNXBMFYSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(Cl)cc1 ZINC000035575109 169280246 /nfs/dbraw/zinc/28/02/46/169280246.db2.gz QXPJNKRUYBRZQT-AWEZNQCLSA-N 1 0 249.741 4.022 10 0 BIAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(Cl)cc1 ZINC000035575111 169289684 /nfs/dbraw/zinc/28/96/84/169289684.db2.gz QXPJNKRUYBRZQT-CQSZACIVSA-N 1 0 249.741 4.022 10 0 BIAERO CCC[NH2+][C@@H](c1ccccc1)c1cccc(C)c1 ZINC000035576060 169281228 /nfs/dbraw/zinc/28/12/28/169281228.db2.gz SNPXLIGDZAKWPK-KRWDZBQOSA-N 1 0 239.362 4.084 10 0 BIAERO CCC[NH2+][C@H](c1ccccc1)c1cccc(C)c1 ZINC000035576062 169291032 /nfs/dbraw/zinc/29/10/32/169291032.db2.gz SNPXLIGDZAKWPK-QGZVFWFLSA-N 1 0 239.362 4.084 10 0 BIAERO CCCCC[C@H]([NH2+]CCC)c1ccc(OC)cc1 ZINC000035576382 168744870 /nfs/dbraw/zinc/74/48/70/168744870.db2.gz YSBWDCGUKHFICV-INIZCTEOSA-N 1 0 249.398 4.316 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)CCC ZINC000035576406 169289951 /nfs/dbraw/zinc/28/99/51/169289951.db2.gz PZPRHPPHCBYMJK-CJNGLKHVSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)CCC ZINC000035576409 169289741 /nfs/dbraw/zinc/28/97/41/169289741.db2.gz PZPRHPPHCBYMJK-BBRMVZONSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)CCC ZINC000035576411 169280210 /nfs/dbraw/zinc/28/02/10/169280210.db2.gz PZPRHPPHCBYMJK-CZUORRHYSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)CCC ZINC000035576414 169280375 /nfs/dbraw/zinc/28/03/75/169280375.db2.gz PZPRHPPHCBYMJK-XJKSGUPXSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(OC)cc1 ZINC000035576417 169278606 /nfs/dbraw/zinc/27/86/06/169278606.db2.gz QCTUPUUVGGJQHU-INIZCTEOSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(OC)cc1 ZINC000035576420 169289248 /nfs/dbraw/zinc/28/92/48/169289248.db2.gz QCTUPUUVGGJQHU-MRXNPFEDSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)cc1 ZINC000035576546 169277409 /nfs/dbraw/zinc/27/74/09/169277409.db2.gz YTEVHLVADMSMHD-HNNXBMFYSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(OC)cc1 ZINC000035576548 169288274 /nfs/dbraw/zinc/28/82/74/169288274.db2.gz YTEVHLVADMSMHD-OAHLLOKOSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)C(CC)CC ZINC000035576723 169280669 /nfs/dbraw/zinc/28/06/69/169280669.db2.gz PZLUDGKSYMINOT-MRXNPFEDSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OC)cc1)C(CC)CC ZINC000035576726 169290206 /nfs/dbraw/zinc/29/02/06/169290206.db2.gz PZLUDGKSYMINOT-INIZCTEOSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(C)cc1 ZINC000035576775 169279356 /nfs/dbraw/zinc/27/93/56/169279356.db2.gz NVTGQYRZUAGECG-HNNXBMFYSA-N 1 0 245.391 4.146 10 0 BIAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(C)cc1 ZINC000035576778 169289701 /nfs/dbraw/zinc/28/97/01/169289701.db2.gz NVTGQYRZUAGECG-OAHLLOKOSA-N 1 0 245.391 4.146 10 0 BIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(C)cc1 ZINC000035576836 169278952 /nfs/dbraw/zinc/27/89/52/169278952.db2.gz VTKISUUDDMHFPO-HNNXBMFYSA-N 1 0 245.391 4.146 10 0 BIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(C)cc1 ZINC000035576839 169289975 /nfs/dbraw/zinc/28/99/75/169289975.db2.gz VTKISUUDDMHFPO-OAHLLOKOSA-N 1 0 245.391 4.146 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)CCC ZINC000035576980 169290114 /nfs/dbraw/zinc/29/01/14/169290114.db2.gz OPYUEMDEFKNNSC-ZBFHGGJFSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)CCC ZINC000035576983 169289617 /nfs/dbraw/zinc/28/96/17/169289617.db2.gz OPYUEMDEFKNNSC-HOCLYGCPSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)CCC ZINC000035576986 169279843 /nfs/dbraw/zinc/27/98/43/169279843.db2.gz OPYUEMDEFKNNSC-GDBMZVCRSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)CCC ZINC000035576989 169279375 /nfs/dbraw/zinc/27/93/75/169279375.db2.gz OPYUEMDEFKNNSC-GOEBONIOSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(C)cc1 ZINC000035576992 169277851 /nfs/dbraw/zinc/27/78/51/169277851.db2.gz NLLYIRWDZSBKJA-INIZCTEOSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(C)cc1 ZINC000035576996 169288932 /nfs/dbraw/zinc/28/89/32/169288932.db2.gz NLLYIRWDZSBKJA-MRXNPFEDSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(C)cc1 ZINC000035577182 169277082 /nfs/dbraw/zinc/27/70/82/169277082.db2.gz VQVXLPUPTSAYAV-HNNXBMFYSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(C)cc1 ZINC000035577184 169288469 /nfs/dbraw/zinc/28/84/69/169288469.db2.gz VQVXLPUPTSAYAV-OAHLLOKOSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000035577339 169278961 /nfs/dbraw/zinc/27/89/61/169278961.db2.gz RYDKDMHXXIMMKG-MRXNPFEDSA-N 1 0 231.383 4.226 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)cc1)C1CCCC1 ZINC000035577342 169289892 /nfs/dbraw/zinc/28/98/92/169289892.db2.gz RYDKDMHXXIMMKG-INIZCTEOSA-N 1 0 231.383 4.226 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)cc1)C(CC)CC ZINC000035577395 169278851 /nfs/dbraw/zinc/27/88/51/169278851.db2.gz AVSWBNXDNRVBTB-MRXNPFEDSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)cc1)C(CC)CC ZINC000035577398 169289666 /nfs/dbraw/zinc/28/96/66/169289666.db2.gz AVSWBNXDNRVBTB-INIZCTEOSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)C(C)(C)C ZINC000035577538 169280284 /nfs/dbraw/zinc/28/02/84/169280284.db2.gz DWJQYVIVAYLIAI-HNNXBMFYSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)C(C)(C)C ZINC000035577540 169289947 /nfs/dbraw/zinc/28/99/47/169289947.db2.gz DWJQYVIVAYLIAI-OAHLLOKOSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)[C@@H](C)CC ZINC000035577613 169280496 /nfs/dbraw/zinc/28/04/96/169280496.db2.gz GDYMIPKHUCVEOQ-XJKSGUPXSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)[C@@H](C)CC ZINC000035577615 169289765 /nfs/dbraw/zinc/28/97/65/169289765.db2.gz GDYMIPKHUCVEOQ-BBRMVZONSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)[C@H](C)CC ZINC000035577618 169280413 /nfs/dbraw/zinc/28/04/13/169280413.db2.gz GDYMIPKHUCVEOQ-CZUORRHYSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)[C@H](C)CC ZINC000035577621 169290064 /nfs/dbraw/zinc/29/00/64/169290064.db2.gz GDYMIPKHUCVEOQ-CJNGLKHVSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(OCC)cc1 ZINC000035577652 169276975 /nfs/dbraw/zinc/27/69/75/169276975.db2.gz FTTRUBAPOBMCRT-INIZCTEOSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1ccc(OCC)cc1 ZINC000035577655 169288545 /nfs/dbraw/zinc/28/85/45/169288545.db2.gz FTTRUBAPOBMCRT-MRXNPFEDSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](C)c1c(C)c(C)c(C)c(C)c1C ZINC000035578983 169275863 /nfs/dbraw/zinc/27/58/63/169275863.db2.gz GHVDKMFPBAMQEK-HNNXBMFYSA-N 1 0 233.399 4.289 10 0 BIAERO CCC[NH2+][C@H](C)c1c(C)c(C)c(C)c(C)c1C ZINC000035578986 169286697 /nfs/dbraw/zinc/28/66/97/169286697.db2.gz GHVDKMFPBAMQEK-OAHLLOKOSA-N 1 0 233.399 4.289 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)C(C)C ZINC000035579483 169279821 /nfs/dbraw/zinc/27/98/21/169279821.db2.gz SGANNMUMSGTNEX-OAHLLOKOSA-N 1 0 219.372 4.000 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)cc1C)C(C)C ZINC000035579485 169289858 /nfs/dbraw/zinc/28/98/58/169289858.db2.gz SGANNMUMSGTNEX-HNNXBMFYSA-N 1 0 219.372 4.000 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)[C@@H](C)CC ZINC000035579594 169278856 /nfs/dbraw/zinc/27/88/56/169278856.db2.gz HQWSAVCNGOBSTG-XJKSGUPXSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)cc1C)[C@@H](C)CC ZINC000035579596 169289603 /nfs/dbraw/zinc/28/96/03/169289603.db2.gz HQWSAVCNGOBSTG-BBRMVZONSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)[C@H](C)CC ZINC000035579598 169279213 /nfs/dbraw/zinc/27/92/13/169279213.db2.gz HQWSAVCNGOBSTG-CZUORRHYSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)cc1C)[C@H](C)CC ZINC000035579599 169289615 /nfs/dbraw/zinc/28/96/15/169289615.db2.gz HQWSAVCNGOBSTG-CJNGLKHVSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(C)cc1C ZINC000035579644 169276873 /nfs/dbraw/zinc/27/68/73/169276873.db2.gz KMWKJZDEUXVVNM-INIZCTEOSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1ccc(C)cc1C ZINC000035579646 169288597 /nfs/dbraw/zinc/28/85/97/169288597.db2.gz KMWKJZDEUXVVNM-MRXNPFEDSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)C1CCC1 ZINC000035579715 169279365 /nfs/dbraw/zinc/27/93/65/169279365.db2.gz ISNFTYYWQANIOH-MRXNPFEDSA-N 1 0 231.383 4.144 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)cc1C)C1CCC1 ZINC000035579717 169289920 /nfs/dbraw/zinc/28/99/20/169289920.db2.gz ISNFTYYWQANIOH-INIZCTEOSA-N 1 0 231.383 4.144 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)[C@@H]1C[C@@H]1C ZINC000035579727 169279393 /nfs/dbraw/zinc/27/93/93/169279393.db2.gz CICYRPZEEGGYHW-IMJJTQAJSA-N 1 0 231.383 4.000 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)[C@H]1C[C@@H]1C ZINC000035579731 169279860 /nfs/dbraw/zinc/27/98/60/169279860.db2.gz CICYRPZEEGGYHW-BPUTZDHNSA-N 1 0 231.383 4.000 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)cc1C)[C@H]1C[C@@H]1C ZINC000035579734 169289650 /nfs/dbraw/zinc/28/96/50/169289650.db2.gz CICYRPZEEGGYHW-CWRNSKLLSA-N 1 0 231.383 4.000 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OC)cc1C)[C@@H](C)CC ZINC000035579903 169280443 /nfs/dbraw/zinc/28/04/43/169280443.db2.gz XIFBRETZTIHYEO-BLLLJJGKSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OC)cc1C)[C@@H](C)CC ZINC000035579905 169289601 /nfs/dbraw/zinc/28/96/01/169289601.db2.gz XIFBRETZTIHYEO-LRDDRELGSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OC)cc1C)[C@H](C)CC ZINC000035579907 169281140 /nfs/dbraw/zinc/28/11/40/169281140.db2.gz XIFBRETZTIHYEO-MLGOLLRUSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OC)cc1C)[C@H](C)CC ZINC000035579910 169289887 /nfs/dbraw/zinc/28/98/87/169289887.db2.gz XIFBRETZTIHYEO-WBMJQRKESA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(OC)cc1C ZINC000035579936 169277411 /nfs/dbraw/zinc/27/74/11/169277411.db2.gz JBOWXPOZTDWYIS-INIZCTEOSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1ccc(OC)cc1C ZINC000035579938 169288561 /nfs/dbraw/zinc/28/85/61/169288561.db2.gz JBOWXPOZTDWYIS-MRXNPFEDSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@@H](C)CC ZINC000035580231 169279692 /nfs/dbraw/zinc/27/96/92/169279692.db2.gz JOIWPRUMSYOKGA-IINYFYTJSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@@H](C)CC ZINC000035580233 169290170 /nfs/dbraw/zinc/29/01/70/169290170.db2.gz JOIWPRUMSYOKGA-HZMBPMFUSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@H](C)CC ZINC000035580235 169279581 /nfs/dbraw/zinc/27/95/81/169279581.db2.gz JOIWPRUMSYOKGA-QMTHXVAHSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@H](C)CC ZINC000035580237 169289749 /nfs/dbraw/zinc/28/97/49/169289749.db2.gz JOIWPRUMSYOKGA-YGRLFVJLSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1cc(F)ccc1F ZINC000035580280 169276545 /nfs/dbraw/zinc/27/65/45/169276545.db2.gz LRGPHFCWKHNXFE-AWEZNQCLSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1cc(F)ccc1F ZINC000035580282 169288440 /nfs/dbraw/zinc/28/84/40/169288440.db2.gz LRGPHFCWKHNXFE-CQSZACIVSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@@H](c1cccs1)c1cc(C)oc1C ZINC000035581088 169280269 /nfs/dbraw/zinc/28/02/69/169280269.db2.gz ZTKASAOVXNQSRG-CQSZACIVSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@H](c1cccs1)c1cc(C)oc1C ZINC000035581089 169290796 /nfs/dbraw/zinc/29/07/96/169290796.db2.gz ZTKASAOVXNQSRG-AWEZNQCLSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@H](c1cccs1)c1cccc(C)c1 ZINC000035581285 169280633 /nfs/dbraw/zinc/28/06/33/169280633.db2.gz RFFASRYAUFSTHE-HNNXBMFYSA-N 1 0 245.391 4.146 10 0 BIAERO CCC[NH2+][C@@H](c1cccs1)c1cccc(C)c1 ZINC000035581286 169291112 /nfs/dbraw/zinc/29/11/12/169291112.db2.gz RFFASRYAUFSTHE-OAHLLOKOSA-N 1 0 245.391 4.146 10 0 BIAERO CCC[NH2+][C@H](c1cccs1)c1ccccc1C ZINC000035581307 169290622 /nfs/dbraw/zinc/29/06/22/169290622.db2.gz KIIGXCVOOOKINW-HNNXBMFYSA-N 1 0 245.391 4.146 10 0 BIAERO CCC[NH2+][C@@H](c1cccs1)c1ccccc1C ZINC000035581308 169280908 /nfs/dbraw/zinc/28/09/08/169280908.db2.gz KIIGXCVOOOKINW-OAHLLOKOSA-N 1 0 245.391 4.146 10 0 BIAERO CCC[NH2+][C@@H](c1cc(C)ccc1C)[C@@H](C)CC ZINC000035581633 169279761 /nfs/dbraw/zinc/27/97/61/169279761.db2.gz FXQVUNILAWJEMT-XJKSGUPXSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](c1cc(C)ccc1C)[C@@H](C)CC ZINC000035581634 169289705 /nfs/dbraw/zinc/28/97/05/169289705.db2.gz FXQVUNILAWJEMT-BBRMVZONSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@@H](c1cc(C)ccc1C)[C@H](C)CC ZINC000035581635 169279867 /nfs/dbraw/zinc/27/98/67/169279867.db2.gz FXQVUNILAWJEMT-CZUORRHYSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](c1cc(C)ccc1C)[C@H](C)CC ZINC000035581637 169289891 /nfs/dbraw/zinc/28/98/91/169289891.db2.gz FXQVUNILAWJEMT-CJNGLKHVSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1cc(C)ccc1C ZINC000035581660 169277045 /nfs/dbraw/zinc/27/70/45/169277045.db2.gz YQTJAQDHMMFJSU-INIZCTEOSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1cc(C)ccc1C ZINC000035581661 169288494 /nfs/dbraw/zinc/28/84/94/169288494.db2.gz YQTJAQDHMMFJSU-MRXNPFEDSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@@H](c1cc(C)ccc1C)C1CCC1 ZINC000035581694 169279199 /nfs/dbraw/zinc/27/91/99/169279199.db2.gz LQTVKVAFSMDZHU-MRXNPFEDSA-N 1 0 231.383 4.144 10 0 BIAERO CCC[NH2+][C@H](c1cc(C)ccc1C)C1CCC1 ZINC000035581695 169289874 /nfs/dbraw/zinc/28/98/74/169289874.db2.gz LQTVKVAFSMDZHU-INIZCTEOSA-N 1 0 231.383 4.144 10 0 BIAERO CCC[NH2+][C@@H](c1cc(C)ccc1C)[C@@H]1C[C@@H]1C ZINC000035581700 169278859 /nfs/dbraw/zinc/27/88/59/169278859.db2.gz NWPWVJMHAFFXRD-IMJJTQAJSA-N 1 0 231.383 4.000 10 0 BIAERO CCC[NH2+][C@H](c1cc(C)ccc1C)[C@@H]1C[C@@H]1C ZINC000035581701 169289785 /nfs/dbraw/zinc/28/97/85/169289785.db2.gz NWPWVJMHAFFXRD-NUEKZKHPSA-N 1 0 231.383 4.000 10 0 BIAERO CCC[NH2+][C@@H](c1cc(C)ccc1C)[C@H]1C[C@@H]1C ZINC000035581702 169279749 /nfs/dbraw/zinc/27/97/49/169279749.db2.gz NWPWVJMHAFFXRD-BPUTZDHNSA-N 1 0 231.383 4.000 10 0 BIAERO CCC[NH2+][C@H](c1cc(C)ccc1C)[C@H]1C[C@@H]1C ZINC000035581703 169289843 /nfs/dbraw/zinc/28/98/43/169289843.db2.gz NWPWVJMHAFFXRD-CWRNSKLLSA-N 1 0 231.383 4.000 10 0 BIAERO CCC[NH2+][C@@H](CC)c1c(C)c(C)cc(C)c1C ZINC000035581820 169277908 /nfs/dbraw/zinc/27/79/08/169277908.db2.gz GVNKHJAQGXTCTR-HNNXBMFYSA-N 1 0 233.399 4.371 10 0 BIAERO CCC[NH2+][C@H](CC)c1c(C)c(C)cc(C)c1C ZINC000035581821 169288319 /nfs/dbraw/zinc/28/83/19/169288319.db2.gz GVNKHJAQGXTCTR-OAHLLOKOSA-N 1 0 233.399 4.371 10 0 BIAERO CCC[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)C1CC1 ZINC000035581850 169279318 /nfs/dbraw/zinc/27/93/18/169279318.db2.gz WEETUJOLFKFCNL-QGZVFWFLSA-N 1 0 245.410 4.371 10 0 BIAERO CCC[NH2+][C@H](c1c(C)c(C)cc(C)c1C)C1CC1 ZINC000035581851 169290167 /nfs/dbraw/zinc/29/01/67/169290167.db2.gz WEETUJOLFKFCNL-KRWDZBQOSA-N 1 0 245.410 4.371 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@@H](C)CC ZINC000035581974 169280410 /nfs/dbraw/zinc/28/04/10/169280410.db2.gz FORROGLYWBVVSN-IINYFYTJSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@@H](C)CC ZINC000035581975 169289856 /nfs/dbraw/zinc/28/98/56/169289856.db2.gz FORROGLYWBVVSN-HZMBPMFUSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@H](C)CC ZINC000035581976 169280499 /nfs/dbraw/zinc/28/04/99/169280499.db2.gz FORROGLYWBVVSN-QMTHXVAHSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@H](C)CC ZINC000035581977 169290231 /nfs/dbraw/zinc/29/02/31/169290231.db2.gz FORROGLYWBVVSN-YGRLFVJLSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(F)cc1F ZINC000035581999 169277511 /nfs/dbraw/zinc/27/75/11/169277511.db2.gz GIMQDQAGWQQNKR-AWEZNQCLSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1ccc(F)cc1F ZINC000035582000 169288255 /nfs/dbraw/zinc/28/82/55/169288255.db2.gz GIMQDQAGWQQNKR-CQSZACIVSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@@H](CCC)c1c(C)cc(C)cc1C ZINC000035582087 169278206 /nfs/dbraw/zinc/27/82/06/169278206.db2.gz WOLKPZRXEGYXAY-HNNXBMFYSA-N 1 0 233.399 4.453 10 0 BIAERO CCC[NH2+][C@H](CCC)c1c(C)cc(C)cc1C ZINC000035582088 169289281 /nfs/dbraw/zinc/28/92/81/169289281.db2.gz WOLKPZRXEGYXAY-OAHLLOKOSA-N 1 0 233.399 4.453 10 0 BIAERO CCC[NH2+][C@@H](c1c(C)cc(C)cc1C)C1CC1 ZINC000035582127 169279335 /nfs/dbraw/zinc/27/93/35/169279335.db2.gz DGNIRHJFIDLPCJ-MRXNPFEDSA-N 1 0 231.383 4.063 10 0 BIAERO CCC[NH2+][C@H](c1c(C)cc(C)cc1C)C1CC1 ZINC000035582128 169289875 /nfs/dbraw/zinc/28/98/75/169289875.db2.gz DGNIRHJFIDLPCJ-INIZCTEOSA-N 1 0 231.383 4.063 10 0 BIAERO CCC[NH2+][C@@H](c1c(C)cc(C)cc1C)C1CCC1 ZINC000035582147 169279760 /nfs/dbraw/zinc/27/97/60/169279760.db2.gz KAZGDJGJPMWSGQ-QGZVFWFLSA-N 1 0 245.410 4.453 10 0 BIAERO CCC[NH2+][C@H](c1c(C)cc(C)cc1C)C1CCC1 ZINC000035582148 169289722 /nfs/dbraw/zinc/28/97/22/169289722.db2.gz KAZGDJGJPMWSGQ-KRWDZBQOSA-N 1 0 245.410 4.453 10 0 BIAERO CCCCc1ccc([C@@H](CC)[NH2+]CCC)cc1 ZINC000035582187 169022433 /nfs/dbraw/zinc/02/24/33/169022433.db2.gz IQVKXUPVLJXYOG-MRXNPFEDSA-N 1 0 233.399 4.480 10 0 BIAERO CCCCc1ccc([C@H](CC)[NH2+]CCC)cc1 ZINC000035582188 169023051 /nfs/dbraw/zinc/02/30/51/169023051.db2.gz IQVKXUPVLJXYOG-INIZCTEOSA-N 1 0 233.399 4.480 10 0 BIAERO CCCCc1ccc([C@H]([NH2+]CCC)C2CC2)cc1 ZINC000035582211 169023025 /nfs/dbraw/zinc/02/30/25/169023025.db2.gz DBPBJTJHZDPWPW-KRWDZBQOSA-N 1 0 245.410 4.480 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000035582281 169278873 /nfs/dbraw/zinc/27/88/73/169278873.db2.gz AVOYPINXUVSGNG-MRXNPFEDSA-N 1 0 245.410 4.435 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000035582282 169289933 /nfs/dbraw/zinc/28/99/33/169289933.db2.gz AVOYPINXUVSGNG-INIZCTEOSA-N 1 0 245.410 4.435 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@@H](C)CC ZINC000035582449 169280235 /nfs/dbraw/zinc/28/02/35/169280235.db2.gz DOROYSPPTKZTPT-IINYFYTJSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H](C)CC ZINC000035582450 169290091 /nfs/dbraw/zinc/29/00/91/169290091.db2.gz DOROYSPPTKZTPT-HZMBPMFUSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@H](C)CC ZINC000035582451 169281164 /nfs/dbraw/zinc/28/11/64/169281164.db2.gz DOROYSPPTKZTPT-QMTHXVAHSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H](C)CC ZINC000035582452 169289735 /nfs/dbraw/zinc/28/97/35/169289735.db2.gz DOROYSPPTKZTPT-YGRLFVJLSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(F)c(F)c1 ZINC000035582473 169277393 /nfs/dbraw/zinc/27/73/93/169277393.db2.gz JBVACUHXWOIUQL-AWEZNQCLSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1ccc(F)c(F)c1 ZINC000035582474 169288282 /nfs/dbraw/zinc/28/82/82/169288282.db2.gz JBVACUHXWOIUQL-CQSZACIVSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H](C)CC ZINC000035582622 169280429 /nfs/dbraw/zinc/28/04/29/169280429.db2.gz NLJMMSGBJATHAF-XJKSGUPXSA-N 1 0 233.399 4.336 10 0 BIAERO CCC[NH2+][C@H](c1ccc(CC)cc1)[C@@H](C)CC ZINC000035582623 169289845 /nfs/dbraw/zinc/28/98/45/169289845.db2.gz NLJMMSGBJATHAF-BBRMVZONSA-N 1 0 233.399 4.336 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)[C@H](C)CC ZINC000035582624 169280620 /nfs/dbraw/zinc/28/06/20/169280620.db2.gz NLJMMSGBJATHAF-CZUORRHYSA-N 1 0 233.399 4.336 10 0 BIAERO CCC[NH2+][C@H](c1ccc(CC)cc1)[C@H](C)CC ZINC000035582625 169289677 /nfs/dbraw/zinc/28/96/77/169289677.db2.gz NLJMMSGBJATHAF-CJNGLKHVSA-N 1 0 233.399 4.336 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(CC)cc1 ZINC000035582646 169276579 /nfs/dbraw/zinc/27/65/79/169276579.db2.gz YNASHSLRSSLLGQ-INIZCTEOSA-N 1 0 233.399 4.336 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1ccc(CC)cc1 ZINC000035582647 169288168 /nfs/dbraw/zinc/28/81/68/169288168.db2.gz YNASHSLRSSLLGQ-MRXNPFEDSA-N 1 0 233.399 4.336 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)C1CCCC1 ZINC000035582678 169280788 /nfs/dbraw/zinc/28/07/88/169280788.db2.gz AMHQSUKYHWHRIB-QGZVFWFLSA-N 1 0 245.410 4.480 10 0 BIAERO CCC[NH2+][C@H](c1ccc(CC)cc1)C1CCCC1 ZINC000035582679 169289830 /nfs/dbraw/zinc/28/98/30/169289830.db2.gz AMHQSUKYHWHRIB-KRWDZBQOSA-N 1 0 245.410 4.480 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)C1CCC1 ZINC000035582680 169281143 /nfs/dbraw/zinc/28/11/43/169281143.db2.gz HPDCQTZYEWSNKC-MRXNPFEDSA-N 1 0 231.383 4.090 10 0 BIAERO CCC[NH2+][C@H](c1ccc(CC)cc1)C1CCC1 ZINC000035582681 169290026 /nfs/dbraw/zinc/29/00/26/169290026.db2.gz HPDCQTZYEWSNKC-INIZCTEOSA-N 1 0 231.383 4.090 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(CCC)cc1)C1CC1 ZINC000035582856 169280347 /nfs/dbraw/zinc/28/03/47/169280347.db2.gz CUEFLKGAXYZNJP-INIZCTEOSA-N 1 0 231.383 4.090 10 0 BIAERO CCC[NH2+][C@H](c1ccc(CCC)cc1)C1CC1 ZINC000035582857 169289957 /nfs/dbraw/zinc/28/99/57/169289957.db2.gz CUEFLKGAXYZNJP-MRXNPFEDSA-N 1 0 231.383 4.090 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(CCC)cc1)C1CCC1 ZINC000035582882 169280527 /nfs/dbraw/zinc/28/05/27/169280527.db2.gz GAVQZTJJVAVJRD-QGZVFWFLSA-N 1 0 245.410 4.480 10 0 BIAERO CCC[NH2+][C@H](c1ccc(CCC)cc1)C1CCC1 ZINC000035582883 169290094 /nfs/dbraw/zinc/29/00/94/169290094.db2.gz GAVQZTJJVAVJRD-KRWDZBQOSA-N 1 0 245.410 4.480 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(CCC)cc1)[C@@H]1C[C@@H]1C ZINC000035582886 169281108 /nfs/dbraw/zinc/28/11/08/169281108.db2.gz YBNXHILMAQMBCW-XKQJLSEDSA-N 1 0 245.410 4.336 10 0 BIAERO CCC[NH2+][C@H](c1ccc(CCC)cc1)[C@@H]1C[C@@H]1C ZINC000035582887 169289581 /nfs/dbraw/zinc/28/95/81/169289581.db2.gz YBNXHILMAQMBCW-IAOVAPTHSA-N 1 0 245.410 4.336 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(CCC)cc1)[C@H]1C[C@@H]1C ZINC000035582888 169280800 /nfs/dbraw/zinc/28/08/00/169280800.db2.gz YBNXHILMAQMBCW-JQFCIGGWSA-N 1 0 245.410 4.336 10 0 BIAERO CCC[NH2+][C@H](c1ccc(CCC)cc1)[C@H]1C[C@@H]1C ZINC000035582889 169290010 /nfs/dbraw/zinc/29/00/10/169290010.db2.gz YBNXHILMAQMBCW-RRQGHBQHSA-N 1 0 245.410 4.336 10 0 BIAERO CCC[NH2+][C@@H](CCC)c1ccc2c(c1)CCC2 ZINC000035583080 169277858 /nfs/dbraw/zinc/27/78/58/169277858.db2.gz KRUWKHZMHOFVPQ-INIZCTEOSA-N 1 0 231.383 4.016 10 0 BIAERO CCC[NH2+][C@H](CCC)c1ccc2c(c1)CCC2 ZINC000035583081 169289284 /nfs/dbraw/zinc/28/92/84/169289284.db2.gz KRUWKHZMHOFVPQ-MRXNPFEDSA-N 1 0 231.383 4.016 10 0 BIAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@@H](C)CC ZINC000035583112 169280459 /nfs/dbraw/zinc/28/04/59/169280459.db2.gz SDTWHHBABSTQIZ-SUMWQHHRSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[NH2+][C@H](c1ccc2c(c1)CCC2)[C@@H](C)CC ZINC000035583113 169289925 /nfs/dbraw/zinc/28/99/25/169289925.db2.gz SDTWHHBABSTQIZ-GUYCJALGSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@H](C)CC ZINC000035583114 169280394 /nfs/dbraw/zinc/28/03/94/169280394.db2.gz SDTWHHBABSTQIZ-CXAGYDPISA-N 1 0 245.410 4.262 10 0 BIAERO CCC[NH2+][C@H](c1ccc2c(c1)CCC2)[C@H](C)CC ZINC000035583115 169289822 /nfs/dbraw/zinc/28/98/22/169289822.db2.gz SDTWHHBABSTQIZ-DYVFJYSZSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1ccc2c(c1)CCC2 ZINC000035583126 169277388 /nfs/dbraw/zinc/27/73/88/169277388.db2.gz UKMGUFLDAVPYAC-KRWDZBQOSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1ccc2c(c1)CCC2 ZINC000035583127 169288436 /nfs/dbraw/zinc/28/84/36/169288436.db2.gz UKMGUFLDAVPYAC-QGZVFWFLSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCC2)C1CCC1 ZINC000035583144 169280162 /nfs/dbraw/zinc/28/01/62/169280162.db2.gz BKUOVDFQAXCCPG-QGZVFWFLSA-N 1 0 243.394 4.016 10 0 BIAERO CCC[NH2+][C@H](c1ccc2c(c1)CCC2)C1CCC1 ZINC000035583145 169290211 /nfs/dbraw/zinc/29/02/11/169290211.db2.gz BKUOVDFQAXCCPG-KRWDZBQOSA-N 1 0 243.394 4.016 10 0 BIAERO CCC[NH2+][C@@H](c1ccco1)c1cc(C)sc1C ZINC000035583221 169280490 /nfs/dbraw/zinc/28/04/90/169280490.db2.gz QGHPFAJSDHYWBQ-CQSZACIVSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@H](c1ccco1)c1cc(C)sc1C ZINC000035583222 169290972 /nfs/dbraw/zinc/29/09/72/169290972.db2.gz QGHPFAJSDHYWBQ-AWEZNQCLSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@@H](c1ccoc1)c1cc(C)sc1C ZINC000035583223 169280167 /nfs/dbraw/zinc/28/01/67/169280167.db2.gz BGFXXNSLMLGPPS-AWEZNQCLSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@H](c1ccoc1)c1cc(C)sc1C ZINC000035583224 169290397 /nfs/dbraw/zinc/29/03/97/169290397.db2.gz BGFXXNSLMLGPPS-CQSZACIVSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@@H](c1cc(C)sc1C)C(C)C ZINC000035583273 169279731 /nfs/dbraw/zinc/27/97/31/169279731.db2.gz XIIXQFZRTBKIIH-CYBMUJFWSA-N 1 0 225.401 4.062 10 0 BIAERO CCC[NH2+][C@H](c1cc(C)sc1C)C(C)C ZINC000035583274 169289884 /nfs/dbraw/zinc/28/98/84/169289884.db2.gz XIIXQFZRTBKIIH-ZDUSSCGKSA-N 1 0 225.401 4.062 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OC(C)C)cc1)C(C)C ZINC000035583786 169280183 /nfs/dbraw/zinc/28/01/83/169280183.db2.gz NIUXWLBSNPPCAW-MRXNPFEDSA-N 1 0 249.398 4.171 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OC(C)C)cc1)C(C)C ZINC000035583787 169289923 /nfs/dbraw/zinc/28/99/23/169289923.db2.gz NIUXWLBSNPPCAW-INIZCTEOSA-N 1 0 249.398 4.171 10 0 BIAERO CCC[NH2+][C@@H](c1csc2ccccc12)C1CC1 ZINC000035584044 169280322 /nfs/dbraw/zinc/28/03/22/169280322.db2.gz CIELZDUPNCFGON-OAHLLOKOSA-N 1 0 245.391 4.352 10 0 BIAERO CCC[NH2+][C@H](c1csc2ccccc12)C1CC1 ZINC000035584045 169290637 /nfs/dbraw/zinc/29/06/37/169290637.db2.gz CIELZDUPNCFGON-HNNXBMFYSA-N 1 0 245.391 4.352 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@@H](C)CC ZINC000035586961 169281161 /nfs/dbraw/zinc/28/11/61/169281161.db2.gz BCBWEYNIQFVTPU-BLLLJJGKSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@@H](C)CC ZINC000035586962 169290139 /nfs/dbraw/zinc/29/01/39/169290139.db2.gz BCBWEYNIQFVTPU-LRDDRELGSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@H](C)CC ZINC000035586963 169280279 /nfs/dbraw/zinc/28/02/79/169280279.db2.gz BCBWEYNIQFVTPU-MLGOLLRUSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@H](C)CC ZINC000035586964 169289959 /nfs/dbraw/zinc/28/99/59/169289959.db2.gz BCBWEYNIQFVTPU-WBMJQRKESA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(OC)c(C)c1 ZINC000035586975 169276986 /nfs/dbraw/zinc/27/69/86/169276986.db2.gz QVXTWOBHGIPNFB-HNNXBMFYSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1ccc(OC)c(C)c1 ZINC000035586976 169288063 /nfs/dbraw/zinc/28/80/63/169288063.db2.gz QVXTWOBHGIPNFB-OAHLLOKOSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@@H](C)c1cc(C)ccc1O[C@@H](C)CC ZINC000035629853 169276384 /nfs/dbraw/zinc/27/63/84/169276384.db2.gz XVJIFQKTTGETKF-KBPBESRZSA-N 1 0 249.398 4.233 10 0 BIAERO CCC[NH2+][C@H](C)c1cc(C)ccc1O[C@@H](C)CC ZINC000035629855 169287131 /nfs/dbraw/zinc/28/71/31/169287131.db2.gz XVJIFQKTTGETKF-UONOGXRCSA-N 1 0 249.398 4.233 10 0 BIAERO CCC[NH2+][C@@H](C)c1cc(C)ccc1O[C@H](C)CC ZINC000035629857 169276286 /nfs/dbraw/zinc/27/62/86/169276286.db2.gz XVJIFQKTTGETKF-KGLIPLIRSA-N 1 0 249.398 4.233 10 0 BIAERO CCC[NH2+][C@H](C)c1cc(C)ccc1O[C@H](C)CC ZINC000035629859 169287471 /nfs/dbraw/zinc/28/74/71/169287471.db2.gz XVJIFQKTTGETKF-ZIAGYGMSSA-N 1 0 249.398 4.233 10 0 BIAERO CC(C)[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000035654545 167134169 /nfs/dbraw/zinc/13/41/69/167134169.db2.gz KQRNPVBSXFQCQO-OAHLLOKOSA-N 1 0 247.382 4.022 10 0 BIAERO CC(C)[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000035654546 167140910 /nfs/dbraw/zinc/14/09/10/167140910.db2.gz KQRNPVBSXFQCQO-HNNXBMFYSA-N 1 0 247.382 4.022 10 0 BIAERO CC(C)[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000035654760 167141228 /nfs/dbraw/zinc/14/12/28/167141228.db2.gz UDPQIGDTMBFTNY-HNNXBMFYSA-N 1 0 247.382 4.022 10 0 BIAERO CC(C)[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000035654762 167135256 /nfs/dbraw/zinc/13/52/56/167135256.db2.gz UDPQIGDTMBFTNY-OAHLLOKOSA-N 1 0 247.382 4.022 10 0 BIAERO CC[NH2+][C@H]1CCCOc2c([C@H](C)CC)cccc21 ZINC000035654837 170166842 /nfs/dbraw/zinc/16/68/42/170166842.db2.gz QOPHTUGDYRSHIO-DOMZBBRYSA-N 1 0 247.382 4.023 10 0 BIAERO CC[NH2+][C@H]1CCCOc2c([C@@H](C)CC)cccc21 ZINC000035654839 170167053 /nfs/dbraw/zinc/16/70/53/170167053.db2.gz QOPHTUGDYRSHIO-WFASDCNBSA-N 1 0 247.382 4.023 10 0 BIAERO CC[NH2+][C@@H]1CCCOc2c([C@H](C)CC)cccc21 ZINC000035654841 170151107 /nfs/dbraw/zinc/15/11/07/170151107.db2.gz QOPHTUGDYRSHIO-IUODEOHRSA-N 1 0 247.382 4.023 10 0 BIAERO CC[NH2+][C@@H]1CCCOc2c([C@@H](C)CC)cccc21 ZINC000035654843 170150642 /nfs/dbraw/zinc/15/06/42/170150642.db2.gz QOPHTUGDYRSHIO-SWLSCSKDSA-N 1 0 247.382 4.023 10 0 BIAERO CCC[NH2+][C@@H]1CCOc2c([C@@H](C)CC)cccc21 ZINC000035654869 169283046 /nfs/dbraw/zinc/28/30/46/169283046.db2.gz JXKVSDOKNZHJNL-SWLSCSKDSA-N 1 0 247.382 4.023 10 0 BIAERO CCC[NH2+][C@H]1CCOc2c([C@@H](C)CC)cccc21 ZINC000035654870 169291626 /nfs/dbraw/zinc/29/16/26/169291626.db2.gz JXKVSDOKNZHJNL-WFASDCNBSA-N 1 0 247.382 4.023 10 0 BIAERO CCC[NH2+][C@@H]1CCOc2c([C@H](C)CC)cccc21 ZINC000035654872 169282635 /nfs/dbraw/zinc/28/26/35/169282635.db2.gz JXKVSDOKNZHJNL-IUODEOHRSA-N 1 0 247.382 4.023 10 0 BIAERO CCC[NH2+][C@H]1CCOc2c([C@H](C)CC)cccc21 ZINC000035654874 169291762 /nfs/dbraw/zinc/29/17/62/169291762.db2.gz JXKVSDOKNZHJNL-DOMZBBRYSA-N 1 0 247.382 4.023 10 0 BIAERO Cc1cc(N[C@H](C)CC(C)C)c2ccccc2[nH+]1 ZINC000035697603 178183796 /nfs/dbraw/zinc/18/37/96/178183796.db2.gz TXGGKBVTRDQJBT-GFCCVEGCSA-N 1 0 242.366 4.390 10 0 BIAERO CC(C)c1ccc(S[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000035723325 167610199 /nfs/dbraw/zinc/61/01/99/167610199.db2.gz DFFQULIRBIZVMS-HIFRSBDPSA-N 1 0 249.423 4.030 10 0 BIAERO C[C@H]([NH2+][C@@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000035732823 176892763 /nfs/dbraw/zinc/89/27/63/176892763.db2.gz UYEPWGURMMMQCZ-BLLLJJGKSA-N 1 0 243.394 4.187 10 0 BIAERO CCCCc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035732849 169022400 /nfs/dbraw/zinc/02/24/00/169022400.db2.gz VEJJOJDHQHQXRN-KGLIPLIRSA-N 1 0 245.410 4.478 10 0 BIAERO CCCCc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035732850 169023453 /nfs/dbraw/zinc/02/34/53/169023453.db2.gz VEJJOJDHQHQXRN-KBPBESRZSA-N 1 0 245.410 4.478 10 0 BIAERO CCCCc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035732851 169021533 /nfs/dbraw/zinc/02/15/33/169021533.db2.gz VEJJOJDHQHQXRN-ZIAGYGMSSA-N 1 0 245.410 4.478 10 0 BIAERO CCCCc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035732852 169023093 /nfs/dbraw/zinc/02/30/93/169023093.db2.gz VEJJOJDHQHQXRN-UONOGXRCSA-N 1 0 245.410 4.478 10 0 BIAERO CCCC[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1 ZINC000035732911 169011474 /nfs/dbraw/zinc/01/14/74/169011474.db2.gz HJFVBYLAVCXTCL-LRDDRELGSA-N 1 0 249.373 4.445 10 0 BIAERO CCCC[C@H]([NH2+][C@H](C)C1CC1)c1ccc(F)cc1 ZINC000035732913 169013327 /nfs/dbraw/zinc/01/33/27/169013327.db2.gz HJFVBYLAVCXTCL-WBMJQRKESA-N 1 0 249.373 4.445 10 0 BIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1C ZINC000035732927 387580937 /nfs/dbraw/zinc/58/09/37/387580937.db2.gz CYBZLJFLFQIHOV-UONOGXRCSA-N 1 0 231.383 4.061 10 0 BIAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C2CC2)cc1C ZINC000035732928 387581663 /nfs/dbraw/zinc/58/16/63/387581663.db2.gz CYBZLJFLFQIHOV-KBPBESRZSA-N 1 0 231.383 4.061 10 0 BIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)C2CC2)cc1C ZINC000035732929 387580994 /nfs/dbraw/zinc/58/09/94/387580994.db2.gz CYBZLJFLFQIHOV-ZIAGYGMSSA-N 1 0 231.383 4.061 10 0 BIAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)C2CC2)cc1C ZINC000035732930 177874182 /nfs/dbraw/zinc/87/41/82/177874182.db2.gz CYBZLJFLFQIHOV-KGLIPLIRSA-N 1 0 231.383 4.061 10 0 BIAERO CCCc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035733079 169573553 /nfs/dbraw/zinc/57/35/53/169573553.db2.gz GILCQAJASSNEAH-OLZOCXBDSA-N 1 0 231.383 4.088 10 0 BIAERO CCCc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035733080 169574374 /nfs/dbraw/zinc/57/43/74/169574374.db2.gz GILCQAJASSNEAH-STQMWFEESA-N 1 0 231.383 4.088 10 0 BIAERO CCCc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035733082 169575050 /nfs/dbraw/zinc/57/50/50/169575050.db2.gz GILCQAJASSNEAH-QWHCGFSZSA-N 1 0 231.383 4.088 10 0 BIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)C2CC2)c(C)c1 ZINC000035733159 177871282 /nfs/dbraw/zinc/87/12/82/177871282.db2.gz WKODKFOBOIRYSY-ZIAGYGMSSA-N 1 0 231.383 4.061 10 0 BIAERO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000035733217 176886874 /nfs/dbraw/zinc/88/68/74/176886874.db2.gz IBVQRTHBLQSCFM-STQMWFEESA-N 1 0 245.410 4.433 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000035733218 711703109 /nfs/dbraw/zinc/70/31/09/711703109.db2.gz IBVQRTHBLQSCFM-QWHCGFSZSA-N 1 0 245.410 4.433 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000035733219 711702991 /nfs/dbraw/zinc/70/29/91/711702991.db2.gz IBVQRTHBLQSCFM-OLZOCXBDSA-N 1 0 245.410 4.433 10 0 BIAERO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000035733220 711703115 /nfs/dbraw/zinc/70/31/15/711703115.db2.gz IBVQRTHBLQSCFM-CHWSQXEVSA-N 1 0 245.410 4.433 10 0 BIAERO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc2ccccc2c1 ZINC000035733306 387581636 /nfs/dbraw/zinc/58/16/36/387581636.db2.gz CFAQSHLEZNPUIU-STQMWFEESA-N 1 0 239.362 4.289 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc2ccccc2c1 ZINC000035733307 359660027 /nfs/dbraw/zinc/66/00/27/359660027.db2.gz CFAQSHLEZNPUIU-QWHCGFSZSA-N 1 0 239.362 4.289 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000035733308 359660226 /nfs/dbraw/zinc/66/02/26/359660226.db2.gz CFAQSHLEZNPUIU-OLZOCXBDSA-N 1 0 239.362 4.289 10 0 BIAERO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc2ccccc2c1 ZINC000035733309 359659786 /nfs/dbraw/zinc/65/97/86/359659786.db2.gz CFAQSHLEZNPUIU-CHWSQXEVSA-N 1 0 239.362 4.289 10 0 BIAERO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1ccco1 ZINC000035738632 166779537 /nfs/dbraw/zinc/77/95/37/166779537.db2.gz HVKSTMOAWMCRIJ-ZDUSSCGKSA-N 1 0 237.387 4.391 10 0 BIAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738744 383872990 /nfs/dbraw/zinc/87/29/90/383872990.db2.gz PKGMKAAJHMWMGZ-OLZOCXBDSA-N 1 0 243.350 4.254 10 0 BIAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738745 383873512 /nfs/dbraw/zinc/87/35/12/383873512.db2.gz PKGMKAAJHMWMGZ-STQMWFEESA-N 1 0 243.350 4.254 10 0 BIAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738746 383871700 /nfs/dbraw/zinc/87/17/00/383871700.db2.gz PKGMKAAJHMWMGZ-CHWSQXEVSA-N 1 0 243.350 4.254 10 0 BIAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738747 383873486 /nfs/dbraw/zinc/87/34/86/383873486.db2.gz PKGMKAAJHMWMGZ-QWHCGFSZSA-N 1 0 243.350 4.254 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1C ZINC000035738756 383873355 /nfs/dbraw/zinc/87/33/55/383873355.db2.gz WVZRPBPABHUNOX-KGLIPLIRSA-N 1 0 243.350 4.308 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1C ZINC000035738757 383873118 /nfs/dbraw/zinc/87/31/18/383873118.db2.gz WVZRPBPABHUNOX-KBPBESRZSA-N 1 0 243.350 4.308 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1C ZINC000035738758 383872434 /nfs/dbraw/zinc/87/24/34/383872434.db2.gz WVZRPBPABHUNOX-ZIAGYGMSSA-N 1 0 243.350 4.308 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1C ZINC000035738759 383874382 /nfs/dbraw/zinc/87/43/82/383874382.db2.gz WVZRPBPABHUNOX-UONOGXRCSA-N 1 0 243.350 4.308 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)c(C)c1 ZINC000035738883 178898445 /nfs/dbraw/zinc/89/84/45/178898445.db2.gz GSOPJMGNRUUZME-UONOGXRCSA-N 1 0 243.350 4.308 10 0 BIAERO CCC[NH2+][C@@H]1CCCSc2c(C)ccc(C)c21 ZINC000035759799 169282353 /nfs/dbraw/zinc/28/23/53/169282353.db2.gz YQLQBRZNYUQYEZ-CYBMUJFWSA-N 1 0 249.423 4.230 10 0 BIAERO CCC[NH2+][C@H]1CCCSc2c(C)ccc(C)c21 ZINC000035759802 169291048 /nfs/dbraw/zinc/29/10/48/169291048.db2.gz YQLQBRZNYUQYEZ-ZDUSSCGKSA-N 1 0 249.423 4.230 10 0 BIAERO CCC[NH2+][C@@H]1c2c(C)ccc(C)c2SC[C@@H]1C ZINC000035759883 169284287 /nfs/dbraw/zinc/28/42/87/169284287.db2.gz ZBPIADUYJOYPRE-JSGCOSHPSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@H]1c2c(C)ccc(C)c2SC[C@@H]1C ZINC000035759886 169293108 /nfs/dbraw/zinc/29/31/08/169293108.db2.gz ZBPIADUYJOYPRE-GXTWGEPZSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@@H]1c2c(C)ccc(C)c2SC[C@H]1C ZINC000035759889 169283946 /nfs/dbraw/zinc/28/39/46/169283946.db2.gz ZBPIADUYJOYPRE-OCCSQVGLSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@H]1c2c(C)ccc(C)c2SC[C@H]1C ZINC000035759891 169292550 /nfs/dbraw/zinc/29/25/50/169292550.db2.gz ZBPIADUYJOYPRE-TZMCWYRMSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@@H]1C[C@H](C)Sc2c(C)ccc(C)c21 ZINC000035759926 169284055 /nfs/dbraw/zinc/28/40/55/169284055.db2.gz QFVGUCXGORQKNZ-QWHCGFSZSA-N 1 0 249.423 4.228 10 0 BIAERO CCC[NH2+][C@H]1C[C@H](C)Sc2c(C)ccc(C)c21 ZINC000035759929 169292211 /nfs/dbraw/zinc/29/22/11/169292211.db2.gz QFVGUCXGORQKNZ-STQMWFEESA-N 1 0 249.423 4.228 10 0 BIAERO CCC[NH2+][C@@H]1C[C@@H](C)Sc2c(C)ccc(C)c21 ZINC000035759932 169284181 /nfs/dbraw/zinc/28/41/81/169284181.db2.gz QFVGUCXGORQKNZ-CHWSQXEVSA-N 1 0 249.423 4.228 10 0 BIAERO CCC[NH2+][C@H]1C[C@@H](C)Sc2c(C)ccc(C)c21 ZINC000035759935 169292936 /nfs/dbraw/zinc/29/29/36/169292936.db2.gz QFVGUCXGORQKNZ-OLZOCXBDSA-N 1 0 249.423 4.228 10 0 BIAERO C[NH2+][C@H]1CCCSc2ccc(C(C)(C)C)cc21 ZINC000035760401 173461847 /nfs/dbraw/zinc/46/18/47/173461847.db2.gz UFRQELABSWFUNQ-ZDUSSCGKSA-N 1 0 249.423 4.131 10 0 BIAERO CC[NH2+][C@@H]1CCSc2ccc(C(C)(C)C)cc21 ZINC000035760417 170153070 /nfs/dbraw/zinc/15/30/70/170153070.db2.gz GGBLHAMOELZJHE-CYBMUJFWSA-N 1 0 249.423 4.131 10 0 BIAERO CC[NH2+][C@H]1CCSc2ccc(C(C)(C)C)cc21 ZINC000035760419 170169047 /nfs/dbraw/zinc/16/90/47/170169047.db2.gz GGBLHAMOELZJHE-ZDUSSCGKSA-N 1 0 249.423 4.131 10 0 BIAERO C[NH2+][C@@H]1C[C@H](C)Sc2ccc(C(C)(C)C)cc21 ZINC000035760509 173439217 /nfs/dbraw/zinc/43/92/17/173439217.db2.gz MDQRPVGJLXUPES-GXFFZTMASA-N 1 0 249.423 4.129 10 0 BIAERO CCC[NH2+][C@@H]1CCCSc2c(C)cc(C)cc21 ZINC000035762083 169281893 /nfs/dbraw/zinc/28/18/93/169281893.db2.gz VINWANRPKIDLEN-CQSZACIVSA-N 1 0 249.423 4.230 10 0 BIAERO CCC[NH2+][C@H]1CCCSc2c(C)cc(C)cc21 ZINC000035762084 169290678 /nfs/dbraw/zinc/29/06/78/169290678.db2.gz VINWANRPKIDLEN-AWEZNQCLSA-N 1 0 249.423 4.230 10 0 BIAERO CCC[NH2+][C@@H]1c2cc(C)cc(C)c2SC[C@@H]1C ZINC000035762113 169283554 /nfs/dbraw/zinc/28/35/54/169283554.db2.gz FAOBSQGCQGIXTA-JSGCOSHPSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@H]1c2cc(C)cc(C)c2SC[C@@H]1C ZINC000035762114 169292835 /nfs/dbraw/zinc/29/28/35/169292835.db2.gz FAOBSQGCQGIXTA-GXTWGEPZSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@@H]1c2cc(C)cc(C)c2SC[C@H]1C ZINC000035762115 169283827 /nfs/dbraw/zinc/28/38/27/169283827.db2.gz FAOBSQGCQGIXTA-OCCSQVGLSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@H]1c2cc(C)cc(C)c2SC[C@H]1C ZINC000035762116 169292569 /nfs/dbraw/zinc/29/25/69/169292569.db2.gz FAOBSQGCQGIXTA-TZMCWYRMSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@@H]1C[C@H](C)Sc2c(C)cc(C)cc21 ZINC000035762129 169284342 /nfs/dbraw/zinc/28/43/42/169284342.db2.gz RCIFLJNITSMALZ-GXTWGEPZSA-N 1 0 249.423 4.228 10 0 BIAERO CCC[NH2+][C@H]1C[C@H](C)Sc2c(C)cc(C)cc21 ZINC000035762130 169293072 /nfs/dbraw/zinc/29/30/72/169293072.db2.gz RCIFLJNITSMALZ-JSGCOSHPSA-N 1 0 249.423 4.228 10 0 BIAERO CCC[NH2+][C@@H]1C[C@@H](C)Sc2c(C)cc(C)cc21 ZINC000035762131 169284027 /nfs/dbraw/zinc/28/40/27/169284027.db2.gz RCIFLJNITSMALZ-TZMCWYRMSA-N 1 0 249.423 4.228 10 0 BIAERO CCC[NH2+][C@H]1C[C@@H](C)Sc2c(C)cc(C)cc21 ZINC000035762132 169292486 /nfs/dbraw/zinc/29/24/86/169292486.db2.gz RCIFLJNITSMALZ-OCCSQVGLSA-N 1 0 249.423 4.228 10 0 BIAERO CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC1)CCS2 ZINC000035762339 167625007 /nfs/dbraw/zinc/62/50/07/167625007.db2.gz NWGLPCOPZABCJS-CQSZACIVSA-N 1 0 247.407 4.099 10 0 BIAERO CC(C)[NH2+][C@@H]1CCSc2ccc(C(C)C)cc21 ZINC000035762345 167134250 /nfs/dbraw/zinc/13/42/50/167134250.db2.gz JVPTWVQZXQPXPM-CQSZACIVSA-N 1 0 249.423 4.345 10 0 BIAERO CC(C)[NH2+][C@H]1CCSc2ccc(C(C)C)cc21 ZINC000035762346 167141043 /nfs/dbraw/zinc/14/10/43/167141043.db2.gz JVPTWVQZXQPXPM-AWEZNQCLSA-N 1 0 249.423 4.345 10 0 BIAERO CC[NH2+][C@@H]1CCCSc2ccc(C(C)C)cc21 ZINC000035762349 170150547 /nfs/dbraw/zinc/15/05/47/170150547.db2.gz UTOWWAZTFRIXSV-CQSZACIVSA-N 1 0 249.423 4.347 10 0 BIAERO CC[NH2+][C@H]1CCCSc2ccc(C(C)C)cc21 ZINC000035762350 170166692 /nfs/dbraw/zinc/16/66/92/170166692.db2.gz UTOWWAZTFRIXSV-AWEZNQCLSA-N 1 0 249.423 4.347 10 0 BIAERO CCC[NH2+][C@@H]1CCSc2ccc(C(C)C)cc21 ZINC000035762357 169283384 /nfs/dbraw/zinc/28/33/84/169283384.db2.gz VDDJWLQJHFQDJK-CQSZACIVSA-N 1 0 249.423 4.347 10 0 BIAERO CCC[NH2+][C@H]1CCSc2ccc(C(C)C)cc21 ZINC000035762358 169293118 /nfs/dbraw/zinc/29/31/18/169293118.db2.gz VDDJWLQJHFQDJK-AWEZNQCLSA-N 1 0 249.423 4.347 10 0 BIAERO CC[NH2+][C@@H]1c2cc(C(C)C)ccc2SC[C@@H]1C ZINC000035762367 170155305 /nfs/dbraw/zinc/15/53/05/170155305.db2.gz FWYCNAXTTGMODS-NHYWBVRUSA-N 1 0 249.423 4.202 10 0 BIAERO CC[NH2+][C@H]1c2cc(C(C)C)ccc2SC[C@@H]1C ZINC000035762368 170169875 /nfs/dbraw/zinc/16/98/75/170169875.db2.gz FWYCNAXTTGMODS-XHDPSFHLSA-N 1 0 249.423 4.202 10 0 BIAERO CC[NH2+][C@@H]1c2cc(C(C)C)ccc2SC[C@H]1C ZINC000035762369 170155421 /nfs/dbraw/zinc/15/54/21/170155421.db2.gz FWYCNAXTTGMODS-ABAIWWIYSA-N 1 0 249.423 4.202 10 0 BIAERO CC[NH2+][C@H]1c2cc(C(C)C)ccc2SC[C@H]1C ZINC000035762370 170169404 /nfs/dbraw/zinc/16/94/04/170169404.db2.gz FWYCNAXTTGMODS-IAQYHMDHSA-N 1 0 249.423 4.202 10 0 BIAERO CC[NH2+][C@@H]1C[C@H](C)Sc2ccc(C(C)C)cc21 ZINC000035762383 170153938 /nfs/dbraw/zinc/15/39/38/170153938.db2.gz VPVSESKRRYBOKG-SMDDNHRTSA-N 1 0 249.423 4.345 10 0 BIAERO CC[NH2+][C@H]1C[C@H](C)Sc2ccc(C(C)C)cc21 ZINC000035762384 170169885 /nfs/dbraw/zinc/16/98/85/170169885.db2.gz VPVSESKRRYBOKG-FZMZJTMJSA-N 1 0 249.423 4.345 10 0 BIAERO CC[NH2+][C@@H]1C[C@@H](C)Sc2ccc(C(C)C)cc21 ZINC000035762385 170153784 /nfs/dbraw/zinc/15/37/84/170153784.db2.gz VPVSESKRRYBOKG-BXUZGUMPSA-N 1 0 249.423 4.345 10 0 BIAERO CC[NH2+][C@H]1C[C@@H](C)Sc2ccc(C(C)C)cc21 ZINC000035762386 170169535 /nfs/dbraw/zinc/16/95/35/170169535.db2.gz VPVSESKRRYBOKG-RISCZKNCSA-N 1 0 249.423 4.345 10 0 BIAERO CCC[NH2+][C@@H]1CCCSc2cc(C)c(C)cc21 ZINC000035762461 169282118 /nfs/dbraw/zinc/28/21/18/169282118.db2.gz CPJTXSOJEIKYJG-CQSZACIVSA-N 1 0 249.423 4.230 10 0 BIAERO CCC[NH2+][C@H]1CCCSc2cc(C)c(C)cc21 ZINC000035762462 169290365 /nfs/dbraw/zinc/29/03/65/169290365.db2.gz CPJTXSOJEIKYJG-AWEZNQCLSA-N 1 0 249.423 4.230 10 0 BIAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C(C)C)CCCS2 ZINC000035762479 178286596 /nfs/dbraw/zinc/28/65/96/178286596.db2.gz OPSIUQXJMPCXGI-AWEZNQCLSA-N 1 0 249.423 4.228 10 0 BIAERO Cc1cc2c(cc1C)[C@H]([NH2+]C(C)C)CCCS2 ZINC000035762480 178287811 /nfs/dbraw/zinc/28/78/11/178287811.db2.gz OPSIUQXJMPCXGI-CQSZACIVSA-N 1 0 249.423 4.228 10 0 BIAERO CCC[NH2+][C@@H]1c2cc(C)c(C)cc2SC[C@@H]1C ZINC000035762491 169284608 /nfs/dbraw/zinc/28/46/08/169284608.db2.gz FITZACLYIFIGMR-WFASDCNBSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@H]1c2cc(C)c(C)cc2SC[C@@H]1C ZINC000035762492 169292945 /nfs/dbraw/zinc/29/29/45/169292945.db2.gz FITZACLYIFIGMR-SWLSCSKDSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@@H]1c2cc(C)c(C)cc2SC[C@H]1C ZINC000035762493 169283866 /nfs/dbraw/zinc/28/38/66/169283866.db2.gz FITZACLYIFIGMR-DOMZBBRYSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@H]1c2cc(C)c(C)cc2SC[C@H]1C ZINC000035762494 169292873 /nfs/dbraw/zinc/29/28/73/169292873.db2.gz FITZACLYIFIGMR-IUODEOHRSA-N 1 0 249.423 4.086 10 0 BIAERO CCC[NH2+][C@@H]1C[C@H](C)Sc2cc(C)c(C)cc21 ZINC000035762507 169284351 /nfs/dbraw/zinc/28/43/51/169284351.db2.gz DUTSKQGTZVMPBX-GXTWGEPZSA-N 1 0 249.423 4.228 10 0 BIAERO CCC[NH2+][C@H]1C[C@H](C)Sc2cc(C)c(C)cc21 ZINC000035762508 169292247 /nfs/dbraw/zinc/29/22/47/169292247.db2.gz DUTSKQGTZVMPBX-JSGCOSHPSA-N 1 0 249.423 4.228 10 0 BIAERO CCC[NH2+][C@@H]1C[C@@H](C)Sc2cc(C)c(C)cc21 ZINC000035762509 169283952 /nfs/dbraw/zinc/28/39/52/169283952.db2.gz DUTSKQGTZVMPBX-TZMCWYRMSA-N 1 0 249.423 4.228 10 0 BIAERO CCC[NH2+][C@H]1C[C@@H](C)Sc2cc(C)c(C)cc21 ZINC000035762510 169292821 /nfs/dbraw/zinc/29/28/21/169292821.db2.gz DUTSKQGTZVMPBX-OCCSQVGLSA-N 1 0 249.423 4.228 10 0 BIAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C(C)C)C[C@@H](C)S2 ZINC000035762515 178286585 /nfs/dbraw/zinc/28/65/85/178286585.db2.gz QFXIDZSDSVCZAJ-OCCSQVGLSA-N 1 0 249.423 4.227 10 0 BIAERO Cc1cc2c(cc1C)[C@@H]([NH2+]C(C)C)C[C@H](C)S2 ZINC000035762516 178286713 /nfs/dbraw/zinc/28/67/13/178286713.db2.gz QFXIDZSDSVCZAJ-JSGCOSHPSA-N 1 0 249.423 4.227 10 0 BIAERO Cc1cc2c(cc1C)[C@H]([NH2+]C(C)C)C[C@@H](C)S2 ZINC000035762517 178287756 /nfs/dbraw/zinc/28/77/56/178287756.db2.gz QFXIDZSDSVCZAJ-TZMCWYRMSA-N 1 0 249.423 4.227 10 0 BIAERO Cc1cc2c(cc1C)[C@H]([NH2+]C(C)C)C[C@H](C)S2 ZINC000035762518 178287221 /nfs/dbraw/zinc/28/72/21/178287221.db2.gz QFXIDZSDSVCZAJ-GXTWGEPZSA-N 1 0 249.423 4.227 10 0 BIAERO [NH3+]CCCCc1ccc(C2CCCCC2)cc1 ZINC000036162518 181378975 /nfs/dbraw/zinc/37/89/75/181378975.db2.gz VNSFAQSJBNNIHT-UHFFFAOYSA-N 1 0 231.383 4.016 10 0 BIAERO CCCC[C@H]([NH3+])c1ccc(OC)c(C(C)C)c1 ZINC000036163583 169009231 /nfs/dbraw/zinc/00/92/31/169009231.db2.gz DAIMMMQCORNRHQ-AWEZNQCLSA-N 1 0 235.371 4.009 10 0 BIAERO CCCC[C@H]([NH3+])c1cc(C(C)C)ccc1OC ZINC000036163601 169008525 /nfs/dbraw/zinc/00/85/25/169008525.db2.gz KMVFARNVPARITB-AWEZNQCLSA-N 1 0 235.371 4.009 10 0 BIAERO CCCC[C@@H]([NH3+])c1cc(C(C)C)ccc1OC ZINC000036163603 343968244 /nfs/dbraw/zinc/96/82/44/343968244.db2.gz KMVFARNVPARITB-CQSZACIVSA-N 1 0 235.371 4.009 10 0 BIAERO [NH3+]CCCCCc1ccc(C2CCCCC2)cc1 ZINC000036171410 181375550 /nfs/dbraw/zinc/37/55/50/181375550.db2.gz MQOHZHYYXHVHBW-UHFFFAOYSA-N 1 0 245.410 4.406 10 0 BIAERO C[NH2+]CCCCc1ccc(C2CCCCC2)cc1 ZINC000036171414 173346240 /nfs/dbraw/zinc/34/62/40/173346240.db2.gz VQTASCAQOBJCOZ-UHFFFAOYSA-N 1 0 245.410 4.276 10 0 BIAERO CCCC[C@H]([NH3+])c1ccc(OC)c(C(C)(C)C)c1 ZINC000036172124 169009732 /nfs/dbraw/zinc/00/97/32/169009732.db2.gz DYKASFVCMUIXHH-AWEZNQCLSA-N 1 0 249.398 4.183 10 0 BIAERO CCCC[C@@H]([NH3+])c1ccc(OC)c(C(C)(C)C)c1 ZINC000036172126 168971052 /nfs/dbraw/zinc/97/10/52/168971052.db2.gz DYKASFVCMUIXHH-CQSZACIVSA-N 1 0 249.398 4.183 10 0 BIAERO CCCC[C@H]([NH3+])c1cc(C(C)(C)C)ccc1OC ZINC000036172135 169009569 /nfs/dbraw/zinc/00/95/69/169009569.db2.gz FRLKODGKTAYEHJ-AWEZNQCLSA-N 1 0 249.398 4.183 10 0 BIAERO CCCC[C@@H]([NH3+])c1cc(C(C)(C)C)ccc1OC ZINC000036172137 168970560 /nfs/dbraw/zinc/97/05/60/168970560.db2.gz FRLKODGKTAYEHJ-CQSZACIVSA-N 1 0 249.398 4.183 10 0 BIAERO CCC(CC)[C@H]([NH3+])c1ccc(OC)c(C(C)C)c1 ZINC000036172141 168406542 /nfs/dbraw/zinc/40/65/42/168406542.db2.gz SAHWKIAKKOHRLG-INIZCTEOSA-N 1 0 249.398 4.255 10 0 BIAERO CCC(CC)[C@H]([NH3+])c1cc(C(C)C)ccc1OC ZINC000036172145 168406861 /nfs/dbraw/zinc/40/68/61/168406861.db2.gz WGQYTIVDDUAHOZ-INIZCTEOSA-N 1 0 249.398 4.255 10 0 BIAERO CCOc1cc(C)c([C@@H]([NH3+])C(CC)CC)cc1C ZINC000036172150 170519449 /nfs/dbraw/zinc/51/94/49/170519449.db2.gz SJRKKRVELMBRBE-INIZCTEOSA-N 1 0 249.398 4.138 10 0 BIAERO CC(C)c1ccc(CC[C@H]([NH3+])C(C)(C)C)cc1 ZINC000036683881 167595322 /nfs/dbraw/zinc/59/53/22/167595322.db2.gz QBWMTJLGYKKZBD-HNNXBMFYSA-N 1 0 233.399 4.116 10 0 BIAERO CC(C)(C)c1ccc(CC[C@H]([NH3+])C(C)(C)C)cc1 ZINC000036683907 187258864 /nfs/dbraw/zinc/25/88/64/187258864.db2.gz LGJFUGJZOUJNNQ-HNNXBMFYSA-N 1 0 247.426 4.290 10 0 BIAERO CC(C)(C)[C@H]([NH3+])CCc1cccc2ccccc21 ZINC000036683931 188286557 /nfs/dbraw/zinc/28/65/57/188286557.db2.gz RZTUAMDPXUBLSZ-MRXNPFEDSA-N 1 0 241.378 4.146 10 0 BIAERO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000036792309 168744067 /nfs/dbraw/zinc/74/40/67/168744067.db2.gz IHPDOIQJUYNFCB-STQMWFEESA-N 1 0 235.371 4.012 10 0 BIAERO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000036792385 168744281 /nfs/dbraw/zinc/74/42/81/168744281.db2.gz DWKIAATXKSPRRW-KBPBESRZSA-N 1 0 249.398 4.315 10 0 BIAERO Cc1cccc([C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000036819629 179200770 /nfs/dbraw/zinc/20/07/70/179200770.db2.gz NQGSYMKUPWNZHY-QGZVFWFLSA-N 1 0 239.362 4.167 10 0 BIAERO Cc1cccc([C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000036819630 179186949 /nfs/dbraw/zinc/18/69/49/179186949.db2.gz NQGSYMKUPWNZHY-KRWDZBQOSA-N 1 0 239.362 4.167 10 0 BIAERO CCCCC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000036819732 347822677 /nfs/dbraw/zinc/82/26/77/347822677.db2.gz OZKWSRHJWNFOEM-HNNXBMFYSA-N 1 0 219.372 4.390 10 0 BIAERO CCCCC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000036819733 347822490 /nfs/dbraw/zinc/82/24/90/347822490.db2.gz OZKWSRHJWNFOEM-OAHLLOKOSA-N 1 0 219.372 4.390 10 0 BIAERO Cc1cc([C@H]([NH3+])c2ccc(C(C)C)cc2)c(C)o1 ZINC000036819754 178261950 /nfs/dbraw/zinc/26/19/50/178261950.db2.gz POMBIVQVJVTJEF-MRXNPFEDSA-N 1 0 243.350 4.068 10 0 BIAERO Cc1cc([C@@H]([NH3+])c2ccc(C(C)C)cc2)c(C)o1 ZINC000036819755 178236948 /nfs/dbraw/zinc/23/69/48/178236948.db2.gz POMBIVQVJVTJEF-INIZCTEOSA-N 1 0 243.350 4.068 10 0 BIAERO CC(C)CC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000036819784 347822542 /nfs/dbraw/zinc/82/25/42/347822542.db2.gz SQQPRNFZOQDIPE-HNNXBMFYSA-N 1 0 219.372 4.246 10 0 BIAERO CC(C)CC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000036819785 347822760 /nfs/dbraw/zinc/82/27/60/347822760.db2.gz SQQPRNFZOQDIPE-OAHLLOKOSA-N 1 0 219.372 4.246 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000036849499 178897338 /nfs/dbraw/zinc/89/73/38/178897338.db2.gz AJOSRRKEAMCFQK-QBYUYEEZSA-N 1 0 245.410 4.470 10 0 BIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000036858995 188286525 /nfs/dbraw/zinc/28/65/25/188286525.db2.gz PMMLAGPUDOIGLO-UHOFOFEASA-N 1 0 249.442 4.225 10 0 BIAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000036859186 179321190 /nfs/dbraw/zinc/32/11/90/179321190.db2.gz PBHNPYIHHBNLBB-SQWLQELKSA-N 1 0 231.383 4.224 10 0 BIAERO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000036859187 179322751 /nfs/dbraw/zinc/32/27/51/179322751.db2.gz PBHNPYIHHBNLBB-LZWOXQAQSA-N 1 0 231.383 4.224 10 0 BIAERO CC(C)(C)c1ccc(CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000036906627 188286593 /nfs/dbraw/zinc/28/65/93/188286593.db2.gz JCDSRBCMETWYHQ-INIZCTEOSA-N 1 0 245.410 4.059 10 0 BIAERO CC(C)(C)c1ccc(CC[C@H]2CCCC[NH2+]2)cc1 ZINC000036906628 188286678 /nfs/dbraw/zinc/28/66/78/188286678.db2.gz JCDSRBCMETWYHQ-MRXNPFEDSA-N 1 0 245.410 4.059 10 0 BIAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(C)o1 ZINC000036907064 178254486 /nfs/dbraw/zinc/25/44/86/178254486.db2.gz IVHYRCSOMDSFBN-RKOGSIPDSA-N 1 0 249.398 4.372 10 0 BIAERO CCC[C@@H]([NH3+])c1ccc(-c2cccc(F)c2)s1 ZINC000036927637 169394149 /nfs/dbraw/zinc/39/41/49/169394149.db2.gz YVEHJBUMTRISMB-GFCCVEGCSA-N 1 0 249.354 4.354 10 0 BIAERO CC(C)(C)c1ccc(-c2ccc(C[NH3+])s2)cc1 ZINC000036927645 187258606 /nfs/dbraw/zinc/25/86/06/187258606.db2.gz CQRIPFHMBJOUSB-UHFFFAOYSA-N 1 0 245.391 4.171 10 0 BIAERO CC(C)[C@H]([NH3+])c1ccc(-c2ccccc2F)s1 ZINC000036927651 187258776 /nfs/dbraw/zinc/25/87/76/187258776.db2.gz CEHDUQKYOVMTST-AWEZNQCLSA-N 1 0 249.354 4.210 10 0 BIAERO CCC[C@@H]([NH3+])c1ccc(-c2ccccc2F)s1 ZINC000036927654 169393630 /nfs/dbraw/zinc/39/36/30/169393630.db2.gz QGJYFSGZCZMOEM-GFCCVEGCSA-N 1 0 249.354 4.354 10 0 BIAERO Cc1cccc(-c2ccc([C@H]([NH3+])C3CC3)s2)c1 ZINC000036927754 178993182 /nfs/dbraw/zinc/99/31/82/178993182.db2.gz GHJGDBJYZNMRTB-OAHLLOKOSA-N 1 0 243.375 4.133 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1cccs1 ZINC000036959931 343146643 /nfs/dbraw/zinc/14/66/43/343146643.db2.gz MQMZXZUUVJYTCB-RYUDHWBXSA-N 1 0 249.379 4.451 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)c1cccs1 ZINC000036959932 343146755 /nfs/dbraw/zinc/14/67/55/343146755.db2.gz MQMZXZUUVJYTCB-NWDGAFQWSA-N 1 0 249.379 4.451 10 0 BIAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)c1cccs1 ZINC000036959933 343146489 /nfs/dbraw/zinc/14/64/89/343146489.db2.gz MQMZXZUUVJYTCB-NEPJUHHUSA-N 1 0 249.379 4.451 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)c1cccs1 ZINC000036959934 343146495 /nfs/dbraw/zinc/14/64/95/343146495.db2.gz MQMZXZUUVJYTCB-VXGBXAGGSA-N 1 0 249.379 4.451 10 0 BIAERO CCCC(CCC)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000036960139 343209234 /nfs/dbraw/zinc/20/92/34/343209234.db2.gz UEGCKUINTXJQSM-LBPRGKRZSA-N 1 0 223.360 4.207 10 0 BIAERO CCCC(CCC)[NH2+][C@H](C)c1ccc(C)o1 ZINC000036960140 343210762 /nfs/dbraw/zinc/21/07/62/343210762.db2.gz UEGCKUINTXJQSM-GFCCVEGCSA-N 1 0 223.360 4.207 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000036961100 171367042 /nfs/dbraw/zinc/36/70/42/171367042.db2.gz VCADQUTYCQDCBI-MJBXVCDLSA-N 1 0 249.398 4.089 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000036961104 171390032 /nfs/dbraw/zinc/39/00/32/171390032.db2.gz VCADQUTYCQDCBI-IHRRRGAJSA-N 1 0 249.398 4.089 10 0 BIAERO CC(C)C[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000036961858 347982403 /nfs/dbraw/zinc/98/24/03/347982403.db2.gz XUMBMVPXNKDTKF-NSHDSACASA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)C[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000036961859 347982429 /nfs/dbraw/zinc/98/24/29/347982429.db2.gz XUMBMVPXNKDTKF-LLVKDONJSA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)(C)[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000036961870 347982471 /nfs/dbraw/zinc/98/24/71/347982471.db2.gz DXUAUBXWBDYCKH-SNVBAGLBSA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)(C)[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000036961871 347982183 /nfs/dbraw/zinc/98/21/83/347982183.db2.gz DXUAUBXWBDYCKH-JTQLQIEISA-N 1 0 232.154 4.039 10 0 BIAERO CCCC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000036961882 361585251 /nfs/dbraw/zinc/58/52/51/361585251.db2.gz SJXOJCKXNCJMHD-NSHDSACASA-N 1 0 232.154 4.183 10 0 BIAERO CCCC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000036961883 342915128 /nfs/dbraw/zinc/91/51/28/342915128.db2.gz SJXOJCKXNCJMHD-LLVKDONJSA-N 1 0 232.154 4.183 10 0 BIAERO CCCCc1ccc(-c2ccc(C[NH3+])s2)cc1 ZINC000036984556 169019308 /nfs/dbraw/zinc/01/93/08/169019308.db2.gz FYFLRMORALRVKE-UHFFFAOYSA-N 1 0 245.391 4.216 10 0 BIAERO CCC[C@H]([NH3+])CCc1ccc(C(C)(C)C)cc1 ZINC000036988309 169504788 /nfs/dbraw/zinc/50/47/88/169504788.db2.gz KIHDIBKBMCRBJT-HNNXBMFYSA-N 1 0 233.399 4.044 10 0 BIAERO CCC[C@@H]([NH3+])CCc1ccc(C(C)(C)C)cc1 ZINC000036988310 169392534 /nfs/dbraw/zinc/39/25/34/169392534.db2.gz KIHDIBKBMCRBJT-OAHLLOKOSA-N 1 0 233.399 4.044 10 0 BIAERO CCCO[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000037025129 169310500 /nfs/dbraw/zinc/31/05/00/169310500.db2.gz VTNQGLOOPJFGKN-LSDHHAIUSA-N 1 0 241.419 4.024 10 0 BIAERO CCCO[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000037025131 169312233 /nfs/dbraw/zinc/31/22/33/169312233.db2.gz VTNQGLOOPJFGKN-GJZGRUSLSA-N 1 0 241.419 4.024 10 0 BIAERO CCCO[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000037025132 169311200 /nfs/dbraw/zinc/31/12/00/169311200.db2.gz VTNQGLOOPJFGKN-HUUCEWRRSA-N 1 0 241.419 4.024 10 0 BIAERO CCCO[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000037025134 169311583 /nfs/dbraw/zinc/31/15/83/169311583.db2.gz VTNQGLOOPJFGKN-CABCVRRESA-N 1 0 241.419 4.024 10 0 BIAERO CCCC(CCC)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037074327 324252878 /nfs/dbraw/zinc/25/28/78/324252878.db2.gz HBHMAUNZNZVYMF-OAHLLOKOSA-N 1 0 247.382 4.069 10 0 BIAERO CCCC(CCC)[NH2+][C@H]1CCOc2ccccc21 ZINC000037074328 324252843 /nfs/dbraw/zinc/25/28/43/324252843.db2.gz HBHMAUNZNZVYMF-HNNXBMFYSA-N 1 0 247.382 4.069 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075044 171366603 /nfs/dbraw/zinc/36/66/03/171366603.db2.gz YPVQETOLLDBYIA-ZENOOKHLSA-N 1 0 231.383 4.162 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075046 171390057 /nfs/dbraw/zinc/39/00/57/171390057.db2.gz YPVQETOLLDBYIA-XEZPLFJOSA-N 1 0 231.383 4.162 10 0 BIAERO CCC[C@@H](C)C[NH2+]C(C)(C)CC(C)(C)C ZINC000037100571 169359178 /nfs/dbraw/zinc/35/91/78/169359178.db2.gz JIOAFRZKTOSQPG-GFCCVEGCSA-N 1 0 213.409 4.227 10 0 BIAERO CCc1ccc([C@@H](CC)[NH2+]C(CC)CC)cc1 ZINC000037117036 188285880 /nfs/dbraw/zinc/28/58/80/188285880.db2.gz OIOCDGHDPXEMSI-MRXNPFEDSA-N 1 0 233.399 4.478 10 0 BIAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000037118055 538961585 /nfs/dbraw/zinc/96/15/85/538961585.db2.gz VBYHAZHQAKSSML-MNOVXSKESA-N 1 0 241.325 4.050 10 0 BIAERO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000037118056 538961691 /nfs/dbraw/zinc/96/16/91/538961691.db2.gz VBYHAZHQAKSSML-QWRGUYRKSA-N 1 0 241.325 4.050 10 0 BIAERO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000037118057 538961801 /nfs/dbraw/zinc/96/18/01/538961801.db2.gz VBYHAZHQAKSSML-GHMZBOCLSA-N 1 0 241.325 4.050 10 0 BIAERO CC(C)C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000037118058 538961659 /nfs/dbraw/zinc/96/16/59/538961659.db2.gz VBYHAZHQAKSSML-WDEREUQCSA-N 1 0 241.325 4.050 10 0 BIAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000037118075 323176838 /nfs/dbraw/zinc/17/68/38/323176838.db2.gz FCHZLVWYOCYPBO-MNOVXSKESA-N 1 0 241.325 4.050 10 0 BIAERO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000037118076 323176786 /nfs/dbraw/zinc/17/67/86/323176786.db2.gz FCHZLVWYOCYPBO-QWRGUYRKSA-N 1 0 241.325 4.050 10 0 BIAERO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000037118077 323176821 /nfs/dbraw/zinc/17/68/21/323176821.db2.gz FCHZLVWYOCYPBO-GHMZBOCLSA-N 1 0 241.325 4.050 10 0 BIAERO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000037118078 323176857 /nfs/dbraw/zinc/17/68/57/323176857.db2.gz FCHZLVWYOCYPBO-WDEREUQCSA-N 1 0 241.325 4.050 10 0 BIAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CC(C)C)c1 ZINC000037118079 178494754 /nfs/dbraw/zinc/49/47/54/178494754.db2.gz BILRRQRAOKSOLI-LSDHHAIUSA-N 1 0 233.399 4.389 10 0 BIAERO CCCCC[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037118403 712545773 /nfs/dbraw/zinc/54/57/73/712545773.db2.gz RRYVPVMNFKEELO-UKRRQHHQSA-N 1 0 247.382 4.069 10 0 BIAERO CCCCC[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037118404 168743653 /nfs/dbraw/zinc/74/36/53/168743653.db2.gz RRYVPVMNFKEELO-DZGCQCFKSA-N 1 0 247.382 4.069 10 0 BIAERO CCCCC[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000037118405 712546236 /nfs/dbraw/zinc/54/62/36/712546236.db2.gz RRYVPVMNFKEELO-HIFRSBDPSA-N 1 0 247.382 4.069 10 0 BIAERO CCCCC[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000037118406 712546083 /nfs/dbraw/zinc/54/60/83/712546083.db2.gz RRYVPVMNFKEELO-ZFWWWQNUSA-N 1 0 247.382 4.069 10 0 BIAERO C[C@H]([NH2+]CC1CCC1)c1ccc2c(c1)CCCC2 ZINC000037179410 398304610 /nfs/dbraw/zinc/30/46/10/398304610.db2.gz KHPXUYGVZQDJIK-ZDUSSCGKSA-N 1 0 243.394 4.016 10 0 BIAERO C[C@@H]([NH2+]CC1CCC1)c1ccc2c(c1)CCCC2 ZINC000037179412 398304808 /nfs/dbraw/zinc/30/48/08/398304808.db2.gz KHPXUYGVZQDJIK-CYBMUJFWSA-N 1 0 243.394 4.016 10 0 BIAERO CC(C)c1ccc([C@@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179652 361736644 /nfs/dbraw/zinc/73/66/44/361736644.db2.gz QOFGINFACORVGM-CYBMUJFWSA-N 1 0 231.383 4.261 10 0 BIAERO CC(C)c1ccc([C@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179654 361735805 /nfs/dbraw/zinc/73/58/05/361735805.db2.gz QOFGINFACORVGM-ZDUSSCGKSA-N 1 0 231.383 4.261 10 0 BIAERO CCCc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1 ZINC000037179791 169573153 /nfs/dbraw/zinc/57/31/53/169573153.db2.gz IFFYEVYSOOLFMK-CYBMUJFWSA-N 1 0 231.383 4.090 10 0 BIAERO Cc1cc(C)c([C@H](C)[NH2+]CC2CCC2)c(C)c1 ZINC000037179871 177874150 /nfs/dbraw/zinc/87/41/50/177874150.db2.gz KXXSMBWHMDSPPJ-AWEZNQCLSA-N 1 0 231.383 4.063 10 0 BIAERO C[C@H]([NH2+]CC1CCC1)c1ccc2ccccc2c1 ZINC000037180053 397971602 /nfs/dbraw/zinc/97/16/02/397971602.db2.gz AFQOQPHNGIMVEB-ZDUSSCGKSA-N 1 0 239.362 4.291 10 0 BIAERO C[C@@H]([NH2+]CC1CCC1)c1ccc2ccccc2c1 ZINC000037180055 397971737 /nfs/dbraw/zinc/97/17/37/397971737.db2.gz AFQOQPHNGIMVEB-CYBMUJFWSA-N 1 0 239.362 4.291 10 0 BIAERO CCC(C)(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000037180300 168270990 /nfs/dbraw/zinc/27/09/90/168270990.db2.gz OXIOAUVHIJWCRL-UHFFFAOYSA-N 1 0 237.431 4.371 10 0 BIAERO CCC(CC)[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000037186972 168390895 /nfs/dbraw/zinc/39/08/95/168390895.db2.gz DUUFXOAPTDVYRR-INIZCTEOSA-N 1 0 231.383 4.224 10 0 BIAERO CCC(CC)[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000037186973 168393117 /nfs/dbraw/zinc/39/31/17/168393117.db2.gz DUUFXOAPTDVYRR-MRXNPFEDSA-N 1 0 231.383 4.224 10 0 BIAERO CCC(CC)[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037186997 168391520 /nfs/dbraw/zinc/39/15/20/168391520.db2.gz KEECCNFAHGSBKU-IAGOWNOFSA-N 1 0 245.410 4.491 10 0 BIAERO CCC(CC)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037186998 168392910 /nfs/dbraw/zinc/39/29/10/168392910.db2.gz KEECCNFAHGSBKU-SJORKVTESA-N 1 0 245.410 4.491 10 0 BIAERO CCC(CC)[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037186999 168390663 /nfs/dbraw/zinc/39/06/63/168390663.db2.gz KEECCNFAHGSBKU-DLBZAZTESA-N 1 0 245.410 4.491 10 0 BIAERO CCC(CC)[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000037187000 168392894 /nfs/dbraw/zinc/39/28/94/168392894.db2.gz KEECCNFAHGSBKU-IRXDYDNUSA-N 1 0 245.410 4.491 10 0 BIAERO CCC(CC)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037187040 168390992 /nfs/dbraw/zinc/39/09/92/168390992.db2.gz VKVMGECLWURDSZ-OAHLLOKOSA-N 1 0 235.346 4.055 10 0 BIAERO CCC(CC)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037187041 168393002 /nfs/dbraw/zinc/39/30/02/168393002.db2.gz VKVMGECLWURDSZ-HNNXBMFYSA-N 1 0 235.346 4.055 10 0 BIAERO Cc1cccc([C@@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000037201534 324424876 /nfs/dbraw/zinc/42/48/76/324424876.db2.gz PXCYHLJTPCJLPL-CXOJTPOUSA-N 1 0 231.383 4.224 10 0 BIAERO Cc1cccc([C@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000037201535 324425084 /nfs/dbraw/zinc/42/50/84/324425084.db2.gz PXCYHLJTPCJLPL-UGWHAMFMSA-N 1 0 231.383 4.224 10 0 BIAERO CCCC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000037218237 348228864 /nfs/dbraw/zinc/22/88/64/348228864.db2.gz PNPIGVUSFTZSJP-GFCCVEGCSA-N 1 0 239.790 4.051 10 0 BIAERO CCCC[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000037218238 348229253 /nfs/dbraw/zinc/22/92/53/348229253.db2.gz PNPIGVUSFTZSJP-LBPRGKRZSA-N 1 0 239.790 4.051 10 0 BIAERO CCCCC[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000037223585 168720342 /nfs/dbraw/zinc/72/03/42/168720342.db2.gz DXJUJTRGNWOBQB-INIZCTEOSA-N 1 0 233.399 4.480 10 0 BIAERO CCC[C@@H](C)[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000037223593 169370545 /nfs/dbraw/zinc/37/05/45/169370545.db2.gz CFUUTBKQEAOOLQ-CJNGLKHVSA-N 1 0 233.399 4.478 10 0 BIAERO CCC[C@@H](C)[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000037223595 169371566 /nfs/dbraw/zinc/37/15/66/169371566.db2.gz CFUUTBKQEAOOLQ-CZUORRHYSA-N 1 0 233.399 4.478 10 0 BIAERO CCc1ccc([C@@H](CC)[NH2+]CCC(C)C)cc1 ZINC000037223707 188468712 /nfs/dbraw/zinc/46/87/12/188468712.db2.gz LHSJJURZTHGGKP-MRXNPFEDSA-N 1 0 233.399 4.336 10 0 BIAERO CCCC[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000037230690 348285460 /nfs/dbraw/zinc/28/54/60/348285460.db2.gz DCFUMPMXJPUCNY-CZUORRHYSA-N 1 0 231.383 4.232 10 0 BIAERO CCCC[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000037230692 348285456 /nfs/dbraw/zinc/28/54/56/348285456.db2.gz DCFUMPMXJPUCNY-XJKSGUPXSA-N 1 0 231.383 4.232 10 0 BIAERO CCCC[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000037230693 348285432 /nfs/dbraw/zinc/28/54/32/348285432.db2.gz DCFUMPMXJPUCNY-CJNGLKHVSA-N 1 0 231.383 4.232 10 0 BIAERO CCCC[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000037230694 348285475 /nfs/dbraw/zinc/28/54/75/348285475.db2.gz DCFUMPMXJPUCNY-BBRMVZONSA-N 1 0 231.383 4.232 10 0 BIAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000037235225 179182520 /nfs/dbraw/zinc/18/25/20/179182520.db2.gz PVCFUAPIMLKSLW-OLZOCXBDSA-N 1 0 245.391 4.468 10 0 BIAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000037235228 179195959 /nfs/dbraw/zinc/19/59/59/179195959.db2.gz PVCFUAPIMLKSLW-STQMWFEESA-N 1 0 245.391 4.468 10 0 BIAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000037235230 179181513 /nfs/dbraw/zinc/18/15/13/179181513.db2.gz PVCFUAPIMLKSLW-CHWSQXEVSA-N 1 0 245.391 4.468 10 0 BIAERO Cc1cccc([C@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000037235232 179197808 /nfs/dbraw/zinc/19/78/08/179197808.db2.gz PVCFUAPIMLKSLW-QWHCGFSZSA-N 1 0 245.391 4.468 10 0 BIAERO CCCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000037243173 348286381 /nfs/dbraw/zinc/28/63/81/348286381.db2.gz ZNMUBNUHYPUWGU-LLVKDONJSA-N 1 0 225.763 4.008 10 0 BIAERO CCCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000037243175 348286193 /nfs/dbraw/zinc/28/61/93/348286193.db2.gz ZNMUBNUHYPUWGU-NSHDSACASA-N 1 0 225.763 4.008 10 0 BIAERO C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CC(C)(C)C1 ZINC000037248295 177369274 /nfs/dbraw/zinc/36/92/74/177369274.db2.gz JGCHRLQBMJIPQH-ZFWWWQNUSA-N 1 0 237.431 4.371 10 0 BIAERO C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CC(C)(C)C1 ZINC000037248297 176375153 /nfs/dbraw/zinc/37/51/53/176375153.db2.gz JGCHRLQBMJIPQH-UKRRQHHQSA-N 1 0 237.431 4.371 10 0 BIAERO C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CC(C)(C)C1 ZINC000037248299 177331040 /nfs/dbraw/zinc/33/10/40/177331040.db2.gz JGCHRLQBMJIPQH-DZGCQCFKSA-N 1 0 237.431 4.371 10 0 BIAERO CCc1ccc([C@@H](C)[NH2+]CC2CCCCC2)cc1 ZINC000037248818 171829850 /nfs/dbraw/zinc/82/98/50/171829850.db2.gz RRUAUCGBGICQAU-CQSZACIVSA-N 1 0 245.410 4.480 10 0 BIAERO C[C@H]([NH2+]CC1CCCCC1)c1ccccc1F ZINC000037248912 176838246 /nfs/dbraw/zinc/83/82/46/176838246.db2.gz FCTUEZSPKHTZLX-LBPRGKRZSA-N 1 0 235.346 4.057 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037249786 566459197 /nfs/dbraw/zinc/45/91/97/566459197.db2.gz JTYPHPSXBAEUCF-ZJUUUORDSA-N 1 0 243.753 4.174 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037249788 566459332 /nfs/dbraw/zinc/45/93/32/566459332.db2.gz JTYPHPSXBAEUCF-UWVGGRQHSA-N 1 0 243.753 4.174 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000037249790 388612943 /nfs/dbraw/zinc/61/29/43/388612943.db2.gz JTYPHPSXBAEUCF-NXEZZACHSA-N 1 0 243.753 4.174 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000037249792 324483523 /nfs/dbraw/zinc/48/35/23/324483523.db2.gz JTYPHPSXBAEUCF-VHSXEESVSA-N 1 0 243.753 4.174 10 0 BIAERO CC(C)(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000037252323 166544050 /nfs/dbraw/zinc/54/40/50/166544050.db2.gz HOZPENQYKWECBW-UHFFFAOYSA-N 1 0 237.431 4.371 10 0 BIAERO Cc1cccc([C@@H](C)[NH2+]CC2CCCCC2)c1 ZINC000037255217 324495481 /nfs/dbraw/zinc/49/54/81/324495481.db2.gz IBYOIYKMXAZLOD-CQSZACIVSA-N 1 0 231.383 4.226 10 0 BIAERO Cc1cccc([C@H](C)[NH2+]CC2CCCCC2)c1 ZINC000037255219 388616006 /nfs/dbraw/zinc/61/60/06/388616006.db2.gz IBYOIYKMXAZLOD-AWEZNQCLSA-N 1 0 231.383 4.226 10 0 BIAERO CCC[C@@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000037257679 169399381 /nfs/dbraw/zinc/39/93/81/169399381.db2.gz FEEIBVXVNJKEEL-MRXNPFEDSA-N 1 0 231.383 4.308 10 0 BIAERO CCc1ccc([C@H](C)[NH2+]CC2CCCC2)cc1 ZINC000037257729 171838854 /nfs/dbraw/zinc/83/88/54/171838854.db2.gz ZDHOODDESKKTIU-ZDUSSCGKSA-N 1 0 231.383 4.090 10 0 BIAERO CC[C@H]([NH2+]CC1CCCC1)c1ccc(C)cc1 ZINC000037257853 171518322 /nfs/dbraw/zinc/51/83/22/171518322.db2.gz JBNIETQOHBIUTO-INIZCTEOSA-N 1 0 231.383 4.226 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+]CC2CCCC2)c(C)c1 ZINC000037257891 188287036 /nfs/dbraw/zinc/28/70/36/188287036.db2.gz XMWXQUGDWHTZLQ-CQSZACIVSA-N 1 0 231.383 4.144 10 0 BIAERO Cc1ccc([C@H](C)[NH2+]CC2CCCC2)c(C)c1 ZINC000037257893 178888749 /nfs/dbraw/zinc/88/87/49/178888749.db2.gz XMWXQUGDWHTZLQ-AWEZNQCLSA-N 1 0 231.383 4.144 10 0 BIAERO c1ccc2c(c1)SCC[C@@H]2[NH2+]CC1CCCC1 ZINC000037257912 183454141 /nfs/dbraw/zinc/45/41/41/183454141.db2.gz OMEVYXGUGBBCMS-AWEZNQCLSA-N 1 0 247.407 4.003 10 0 BIAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CCCC1 ZINC000037258198 187423740 /nfs/dbraw/zinc/42/37/40/187423740.db2.gz WUSUSLUOAZNGEE-GJZGRUSLSA-N 1 0 237.431 4.371 10 0 BIAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000037259478 324496370 /nfs/dbraw/zinc/49/63/70/324496370.db2.gz RBNQIUPHZZZJCM-IAOVAPTHSA-N 1 0 243.394 4.101 10 0 BIAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000037259482 324496708 /nfs/dbraw/zinc/49/67/08/324496708.db2.gz RBNQIUPHZZZJCM-XKQJLSEDSA-N 1 0 243.394 4.101 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)C)cc1C ZINC000037260866 178845595 /nfs/dbraw/zinc/84/55/95/178845595.db2.gz NNFFJKTZOCCZNI-LSDHHAIUSA-N 1 0 233.399 4.389 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)CC(C)C)c1ccc(F)cc1 ZINC000037261151 171535560 /nfs/dbraw/zinc/53/55/60/171535560.db2.gz OUXUKOKBYACEMS-WFASDCNBSA-N 1 0 237.362 4.301 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)CC(C)C)c1ccc(F)cc1 ZINC000037261153 170907737 /nfs/dbraw/zinc/90/77/37/170907737.db2.gz OUXUKOKBYACEMS-SWLSCSKDSA-N 1 0 237.362 4.301 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)CC(C)C)c1ccccc1 ZINC000037264324 324520972 /nfs/dbraw/zinc/52/09/72/324520972.db2.gz GXRGXYZDTMJYJX-ZFWWWQNUSA-N 1 0 219.372 4.162 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)CC(C)C)c1ccccc1 ZINC000037264325 388625412 /nfs/dbraw/zinc/62/54/12/388625412.db2.gz GXRGXYZDTMJYJX-DZGCQCFKSA-N 1 0 219.372 4.162 10 0 BIAERO CC[C@H]([NH2+][C@H](C)CC(C)C)c1ccccc1 ZINC000037264326 388625625 /nfs/dbraw/zinc/62/56/25/388625625.db2.gz GXRGXYZDTMJYJX-HIFRSBDPSA-N 1 0 219.372 4.162 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)CC(C)C)c1ccccc1 ZINC000037264327 388625824 /nfs/dbraw/zinc/62/58/24/388625824.db2.gz GXRGXYZDTMJYJX-UKRRQHHQSA-N 1 0 219.372 4.162 10 0 BIAERO Cc1cc(C)c(C[NH2+][C@H](C)CC(C)C)c(C)c1 ZINC000037264419 177861980 /nfs/dbraw/zinc/86/19/80/177861980.db2.gz VQTFDMQPYZCUPW-OAHLLOKOSA-N 1 0 233.399 4.136 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C(C)C ZINC000037272361 388628306 /nfs/dbraw/zinc/62/83/06/388628306.db2.gz JPNYLXWPDUIKHI-HZMBPMFUSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C(C)C ZINC000037272363 324525654 /nfs/dbraw/zinc/52/56/54/324525654.db2.gz JPNYLXWPDUIKHI-IINYFYTJSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1F)C(C)C ZINC000037272365 324525859 /nfs/dbraw/zinc/52/58/59/324525859.db2.gz JPNYLXWPDUIKHI-YGRLFVJLSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)C(C)C ZINC000037272367 388628025 /nfs/dbraw/zinc/62/80/25/388628025.db2.gz JPNYLXWPDUIKHI-QMTHXVAHSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(C)C ZINC000037277281 324557606 /nfs/dbraw/zinc/55/76/06/324557606.db2.gz WIBPNSKFQPUXNC-HZMBPMFUSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(C)C ZINC000037277283 324557827 /nfs/dbraw/zinc/55/78/27/324557827.db2.gz WIBPNSKFQPUXNC-IINYFYTJSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(C)C ZINC000037277285 324557942 /nfs/dbraw/zinc/55/79/42/324557942.db2.gz WIBPNSKFQPUXNC-YGRLFVJLSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(C)C ZINC000037277286 324557762 /nfs/dbraw/zinc/55/77/62/324557762.db2.gz WIBPNSKFQPUXNC-QMTHXVAHSA-N 1 0 241.325 4.050 10 0 BIAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000037277415 324557713 /nfs/dbraw/zinc/55/77/13/324557713.db2.gz UZQZPTLBEDNVEB-MNOVXSKESA-N 1 0 241.325 4.194 10 0 BIAERO CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000037277417 388639728 /nfs/dbraw/zinc/63/97/28/388639728.db2.gz UZQZPTLBEDNVEB-QWRGUYRKSA-N 1 0 241.325 4.194 10 0 BIAERO CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000037277418 388639534 /nfs/dbraw/zinc/63/95/34/388639534.db2.gz UZQZPTLBEDNVEB-GHMZBOCLSA-N 1 0 241.325 4.194 10 0 BIAERO CCCC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000037277420 324557940 /nfs/dbraw/zinc/55/79/40/324557940.db2.gz UZQZPTLBEDNVEB-WDEREUQCSA-N 1 0 241.325 4.194 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000037277421 388639665 /nfs/dbraw/zinc/63/96/65/388639665.db2.gz HESXFKJYPPKOSY-HZMBPMFUSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000037277423 324558605 /nfs/dbraw/zinc/55/86/05/324558605.db2.gz HESXFKJYPPKOSY-IINYFYTJSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000037277424 388639478 /nfs/dbraw/zinc/63/94/78/388639478.db2.gz HESXFKJYPPKOSY-YGRLFVJLSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000037277426 324558463 /nfs/dbraw/zinc/55/84/63/324558463.db2.gz HESXFKJYPPKOSY-QMTHXVAHSA-N 1 0 241.325 4.050 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000037280633 179181534 /nfs/dbraw/zinc/18/15/34/179181534.db2.gz IOQWYLWDQKGGOF-KGLIPLIRSA-N 1 0 243.350 4.308 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000037280635 179196590 /nfs/dbraw/zinc/19/65/90/179196590.db2.gz IOQWYLWDQKGGOF-KBPBESRZSA-N 1 0 243.350 4.308 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000037280637 179181507 /nfs/dbraw/zinc/18/15/07/179181507.db2.gz IOQWYLWDQKGGOF-ZIAGYGMSSA-N 1 0 243.350 4.308 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000037280639 179198012 /nfs/dbraw/zinc/19/80/12/179198012.db2.gz IOQWYLWDQKGGOF-UONOGXRCSA-N 1 0 243.350 4.308 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1OC)C(C)C ZINC000037280980 170912063 /nfs/dbraw/zinc/91/20/63/170912063.db2.gz QGUUZXSZOMXETH-UKRRQHHQSA-N 1 0 249.398 4.089 10 0 BIAERO CC[C@@H]([NH2+][C@@H](c1ccccc1)C(C)C)C(C)C ZINC000037281128 170909814 /nfs/dbraw/zinc/90/98/14/170909814.db2.gz QTAMIKRBXYFROE-HZPDHXFCSA-N 1 0 233.399 4.408 10 0 BIAERO CC[C@@H]([NH2+][C@H](c1ccccc1)C(C)C)C(C)C ZINC000037281132 170913623 /nfs/dbraw/zinc/91/36/23/170913623.db2.gz QTAMIKRBXYFROE-CVEARBPZSA-N 1 0 233.399 4.408 10 0 BIAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000037289264 169000586 /nfs/dbraw/zinc/00/05/86/169000586.db2.gz BCMHUOVOBMQULE-BBRMVZONSA-N 1 0 249.398 4.220 10 0 BIAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000037289266 169000725 /nfs/dbraw/zinc/00/07/25/169000725.db2.gz BCMHUOVOBMQULE-XJKSGUPXSA-N 1 0 249.398 4.220 10 0 BIAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000037314174 168948877 /nfs/dbraw/zinc/94/88/77/168948877.db2.gz YNUAOQAWPQGPFA-KGLIPLIRSA-N 1 0 249.398 4.315 10 0 BIAERO CC(C)CC1([NH3+])CCC(c2ccccc2)CC1 ZINC000037376409 166785373 /nfs/dbraw/zinc/78/53/73/166785373.db2.gz MMXUSAGGWSEBSU-UHFFFAOYSA-N 1 0 231.383 4.088 10 0 BIAERO CC(C)(C)C1CCC([NH3+])(c2ccccc2)CC1 ZINC000037376723 166544496 /nfs/dbraw/zinc/54/44/96/166544496.db2.gz YPLXKGVWECGDPX-UHFFFAOYSA-N 1 0 231.383 4.077 10 0 BIAERO CC(C)C[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377595 348385137 /nfs/dbraw/zinc/38/51/37/348385137.db2.gz VPTGHZHSAAXMBU-NSHDSACASA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)C[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377598 348385642 /nfs/dbraw/zinc/38/56/42/348385642.db2.gz VPTGHZHSAAXMBU-LLVKDONJSA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)(C)[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377686 348385432 /nfs/dbraw/zinc/38/54/32/348385432.db2.gz NDYYTAQVYTYGLT-SNVBAGLBSA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)(C)[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377688 348385601 /nfs/dbraw/zinc/38/56/01/348385601.db2.gz NDYYTAQVYTYGLT-JTQLQIEISA-N 1 0 232.154 4.039 10 0 BIAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000037377697 181561490 /nfs/dbraw/zinc/56/14/90/181561490.db2.gz QZHJGISZNZBHNS-GFCCVEGCSA-N 1 0 244.165 4.183 10 0 BIAERO CC(C)CC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377861 363387850 /nfs/dbraw/zinc/38/78/50/363387850.db2.gz VRYQVIOKMYWAPE-LBPRGKRZSA-N 1 0 246.181 4.429 10 0 BIAERO CC(C)CC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377863 363387322 /nfs/dbraw/zinc/38/73/22/363387322.db2.gz VRYQVIOKMYWAPE-GFCCVEGCSA-N 1 0 246.181 4.429 10 0 BIAERO CC(C)CC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378555 363483603 /nfs/dbraw/zinc/48/36/03/363483603.db2.gz UKWGJDWVQRGKAH-LBPRGKRZSA-N 1 0 246.181 4.429 10 0 BIAERO CC(C)CC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378558 363484110 /nfs/dbraw/zinc/48/41/10/363484110.db2.gz UKWGJDWVQRGKAH-GFCCVEGCSA-N 1 0 246.181 4.429 10 0 BIAERO CC[C@@H](C)[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378671 348387209 /nfs/dbraw/zinc/38/72/09/348387209.db2.gz CXMXWWFMKSOYIX-HQJQHLMTSA-N 1 0 232.154 4.039 10 0 BIAERO CC[C@H](C)[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378674 348386980 /nfs/dbraw/zinc/38/69/80/348386980.db2.gz CXMXWWFMKSOYIX-CPCISQLKSA-N 1 0 232.154 4.039 10 0 BIAERO CC[C@@H](C)[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378677 348387002 /nfs/dbraw/zinc/38/70/02/348387002.db2.gz CXMXWWFMKSOYIX-RDDDGLTNSA-N 1 0 232.154 4.039 10 0 BIAERO CC[C@H](C)[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378679 348387077 /nfs/dbraw/zinc/38/70/77/348387077.db2.gz CXMXWWFMKSOYIX-WRWORJQWSA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)(C)[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000037379239 348387932 /nfs/dbraw/zinc/38/79/32/348387932.db2.gz WMBRNWPLNNYYAG-SSDOTTSWSA-N 1 0 238.183 4.101 10 0 BIAERO CC(C)(C)[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000037379242 348387870 /nfs/dbraw/zinc/38/78/70/348387870.db2.gz WMBRNWPLNNYYAG-ZETCQYMHSA-N 1 0 238.183 4.101 10 0 BIAERO CCC(CC)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000037409760 168387348 /nfs/dbraw/zinc/38/73/48/168387348.db2.gz XGAKTWYEWPYAJS-UHFFFAOYSA-N 1 0 231.383 4.019 10 0 BIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@]1([NH3+])c1ccc(F)cc1 ZINC000037529361 188106725 /nfs/dbraw/zinc/10/67/25/188106725.db2.gz SYJHQPFSSZVCPB-VBNZEHGJSA-N 1 0 249.373 4.072 10 0 BIAERO Cc1cccc([C@]2([NH3+])C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000037529364 188287163 /nfs/dbraw/zinc/28/71/63/188287163.db2.gz VTLJOJDQMDQQLF-USXIJHARSA-N 1 0 245.410 4.241 10 0 BIAERO Cc1cccc([C@@]2([NH3+])CCCC[C@@H]2C(C)(C)C)c1 ZINC000037529523 179192012 /nfs/dbraw/zinc/19/20/12/179192012.db2.gz RTRBQZCFYGNYDS-WBVHZDCISA-N 1 0 245.410 4.385 10 0 BIAERO Cc1cccc([C@@]2([NH3+])CCCC[C@H]2C(C)(C)C)c1 ZINC000037529525 179191427 /nfs/dbraw/zinc/19/14/27/179191427.db2.gz RTRBQZCFYGNYDS-RDJZCZTQSA-N 1 0 245.410 4.385 10 0 BIAERO Cc1ccccc1[C@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000037529538 179352168 /nfs/dbraw/zinc/35/21/68/179352168.db2.gz KOZMAENKJUGSFN-NVXWUHKLSA-N 1 0 245.410 4.385 10 0 BIAERO Cc1ccccc1[C@@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000037529539 179332753 /nfs/dbraw/zinc/33/27/53/179332753.db2.gz KOZMAENKJUGSFN-WBVHZDCISA-N 1 0 245.410 4.385 10 0 BIAERO Cc1ccccc1[C@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000037529540 179352047 /nfs/dbraw/zinc/35/20/47/179352047.db2.gz KOZMAENKJUGSFN-DOTOQJQBSA-N 1 0 245.410 4.385 10 0 BIAERO Cc1ccccc1[C@@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000037529541 179333109 /nfs/dbraw/zinc/33/31/09/179333109.db2.gz KOZMAENKJUGSFN-RDJZCZTQSA-N 1 0 245.410 4.385 10 0 BIAERO Cc1ccc(C[C@]2([NH3+])C[C@H](C)CC(C)(C)C2)cc1 ZINC000037530305 178653264 /nfs/dbraw/zinc/65/32/64/178653264.db2.gz GYUFUJXBMUZZON-RHSMWYFYSA-N 1 0 245.410 4.081 10 0 BIAERO Cc1ccc(C[C@]2([NH3+])C[C@@H](C)CC(C)(C)C2)cc1 ZINC000037530308 178653429 /nfs/dbraw/zinc/65/34/29/178653429.db2.gz GYUFUJXBMUZZON-WMLDXEAASA-N 1 0 245.410 4.081 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1cccc(OCC)c1 ZINC000037533454 169277508 /nfs/dbraw/zinc/27/75/08/169277508.db2.gz RWKKJSMNDVNVPZ-INIZCTEOSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1cccc(OCC)c1 ZINC000037533455 169288266 /nfs/dbraw/zinc/28/82/66/169288266.db2.gz RWKKJSMNDVNVPZ-MRXNPFEDSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](c1ccsc1)c1cccc(C)c1 ZINC000037534735 169290803 /nfs/dbraw/zinc/29/08/03/169290803.db2.gz OKZWGIBXWGTLPD-HNNXBMFYSA-N 1 0 245.391 4.146 10 0 BIAERO CCC[NH2+][C@@H](c1ccsc1)c1cccc(C)c1 ZINC000037534736 169281180 /nfs/dbraw/zinc/28/11/80/169281180.db2.gz OKZWGIBXWGTLPD-OAHLLOKOSA-N 1 0 245.391 4.146 10 0 BIAERO CCC[NH2+][C@@H](c1ccsc1)c1ccccc1C ZINC000037534745 169280396 /nfs/dbraw/zinc/28/03/96/169280396.db2.gz RKRCTCCCCXPZPU-HNNXBMFYSA-N 1 0 245.391 4.146 10 0 BIAERO CCC[NH2+][C@H](c1ccsc1)c1ccccc1C ZINC000037534746 169290561 /nfs/dbraw/zinc/29/05/61/169290561.db2.gz RKRCTCCCCXPZPU-OAHLLOKOSA-N 1 0 245.391 4.146 10 0 BIAERO CC[NH2+][C@@H](C)Cc1c(C)cc(C(C)(C)C)cc1C ZINC000037534892 170140178 /nfs/dbraw/zinc/14/01/78/170140178.db2.gz OLKZLARDOZSFHI-AWEZNQCLSA-N 1 0 247.426 4.141 10 0 BIAERO CC[NH2+][C@H](C)Cc1c(C)cc(C(C)(C)C)cc1C ZINC000037534893 170158124 /nfs/dbraw/zinc/15/81/24/170158124.db2.gz OLKZLARDOZSFHI-CQSZACIVSA-N 1 0 247.426 4.141 10 0 BIAERO CC[NH2+][C@@H](c1ccccc1C)C1CCCCC1 ZINC000037535665 170148173 /nfs/dbraw/zinc/14/81/73/170148173.db2.gz VINKJDYXKUJAST-MRXNPFEDSA-N 1 0 231.383 4.226 10 0 BIAERO CC[NH2+][C@H](c1ccccc1C)C1CCCCC1 ZINC000037535666 170165159 /nfs/dbraw/zinc/16/51/59/170165159.db2.gz VINKJDYXKUJAST-INIZCTEOSA-N 1 0 231.383 4.226 10 0 BIAERO CC[NH2+][C@@H](c1cccc(C)c1)c1ccccc1C ZINC000037535675 170148378 /nfs/dbraw/zinc/14/83/78/170148378.db2.gz MBTARPWRCQYKLN-KRWDZBQOSA-N 1 0 239.362 4.002 10 0 BIAERO CC[NH2+][C@H](c1cccc(C)c1)c1ccccc1C ZINC000037535676 170164121 /nfs/dbraw/zinc/16/41/21/170164121.db2.gz MBTARPWRCQYKLN-QGZVFWFLSA-N 1 0 239.362 4.002 10 0 BIAERO CC[NH2+][C@@H](Cc1cccc(C)c1)C1CCCCC1 ZINC000037535890 170146258 /nfs/dbraw/zinc/14/62/58/170146258.db2.gz FPOBFVCTHUOWFN-KRWDZBQOSA-N 1 0 245.410 4.096 10 0 BIAERO CC[NH2+][C@H](Cc1cccc(C)c1)C1CCCCC1 ZINC000037535891 170162690 /nfs/dbraw/zinc/16/26/90/170162690.db2.gz FPOBFVCTHUOWFN-QGZVFWFLSA-N 1 0 245.410 4.096 10 0 BIAERO c1ccc2c(c1)C[C@H]2C[NH2+]C1CCCCCCC1 ZINC000037565251 183450626 /nfs/dbraw/zinc/45/06/26/183450626.db2.gz KSMSNGUTNAONHC-HNNXBMFYSA-N 1 0 243.394 4.029 10 0 BIAERO c1ccc(-c2ccc3c([s+]2)CCC3)cc1 ZINC000037625795 183380013 /nfs/dbraw/zinc/38/00/13/183380013.db2.gz UKMVEKRDTUSOFJ-UHFFFAOYSA-N 1 0 213.325 4.185 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(F)c(C)c1 ZINC000037734829 169277182 /nfs/dbraw/zinc/27/71/82/169277182.db2.gz CLCJZKITZDSIKW-HNNXBMFYSA-N 1 0 237.362 4.221 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1ccc(F)c(C)c1 ZINC000037734830 169288438 /nfs/dbraw/zinc/28/84/38/169288438.db2.gz CLCJZKITZDSIKW-OAHLLOKOSA-N 1 0 237.362 4.221 10 0 BIAERO Cc1ccccc1[C@@H](C)[NH2+]CCC1CCCC1 ZINC000037739397 179318960 /nfs/dbraw/zinc/31/89/60/179318960.db2.gz NWNUKYHIWXDEPM-CQSZACIVSA-N 1 0 231.383 4.226 10 0 BIAERO Cc1ccccc1[C@H](C)[NH2+]CCC1CCCC1 ZINC000037739398 179337446 /nfs/dbraw/zinc/33/74/46/179337446.db2.gz NWNUKYHIWXDEPM-AWEZNQCLSA-N 1 0 231.383 4.226 10 0 BIAERO Cc1ccc([C@H](C)[NH2+]CCC2CCCC2)cc1 ZINC000037739422 178888722 /nfs/dbraw/zinc/88/87/22/178888722.db2.gz LIAWOTIHYRVBQX-AWEZNQCLSA-N 1 0 231.383 4.226 10 0 BIAERO C[C@@H]([NH2+]CCC1CCCC1)c1ccc(F)cc1 ZINC000037739442 175873039 /nfs/dbraw/zinc/87/30/39/175873039.db2.gz OWUCYWNLCGDDIZ-GFCCVEGCSA-N 1 0 235.346 4.057 10 0 BIAERO C[C@H]([NH2+]CCC1CCCC1)c1cccc(F)c1 ZINC000037739498 176841722 /nfs/dbraw/zinc/84/17/22/176841722.db2.gz HVJZORGRKKQDOW-LBPRGKRZSA-N 1 0 235.346 4.057 10 0 BIAERO C[C@@H]([NH2+]CCC1CCCC1)c1cccc(F)c1 ZINC000037739499 175872595 /nfs/dbraw/zinc/87/25/95/175872595.db2.gz HVJZORGRKKQDOW-GFCCVEGCSA-N 1 0 235.346 4.057 10 0 BIAERO Cc1cc([C@@H](C)[NH2+]CCC2CCCC2)c(C)o1 ZINC000037739619 178225106 /nfs/dbraw/zinc/22/51/06/178225106.db2.gz MCTTTZBIIPJRNP-GFCCVEGCSA-N 1 0 235.371 4.127 10 0 BIAERO Cc1cc([C@H](C)[NH2+]CCC2CCCC2)c(C)o1 ZINC000037739620 178247483 /nfs/dbraw/zinc/24/74/83/178247483.db2.gz MCTTTZBIIPJRNP-LBPRGKRZSA-N 1 0 235.371 4.127 10 0 BIAERO Cc1cccc([C@@H](C)[NH2+]CCC2CCCC2)c1 ZINC000037739745 179180353 /nfs/dbraw/zinc/18/03/53/179180353.db2.gz UFQCVPDUWMBMNT-CQSZACIVSA-N 1 0 231.383 4.226 10 0 BIAERO Cc1cccc([C@H](C)[NH2+]CCC2CCCC2)c1 ZINC000037739746 179194981 /nfs/dbraw/zinc/19/49/81/179194981.db2.gz UFQCVPDUWMBMNT-AWEZNQCLSA-N 1 0 231.383 4.226 10 0 BIAERO C[C@@H]([NH2+]CCC1CCCCC1)c1ccccc1 ZINC000037739902 175872566 /nfs/dbraw/zinc/87/25/66/175872566.db2.gz BBYGIEYDKTVGAD-CQSZACIVSA-N 1 0 231.383 4.308 10 0 BIAERO CC[NH2+][C@@H](c1ccsc1)c1cc(C)cc(C)c1 ZINC000037746188 170149678 /nfs/dbraw/zinc/14/96/78/170149678.db2.gz YQEWARPZRCVXEN-HNNXBMFYSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1ccsc1)c1cc(C)cc(C)c1 ZINC000037746189 170164965 /nfs/dbraw/zinc/16/49/65/170164965.db2.gz YQEWARPZRCVXEN-OAHLLOKOSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1cc(C)cc(C)c1)C1CCCC1 ZINC000037756688 170146216 /nfs/dbraw/zinc/14/62/16/170146216.db2.gz FBMUZKVNKOZLEB-MRXNPFEDSA-N 1 0 231.383 4.144 10 0 BIAERO CC[NH2+][C@H](c1cc(C)cc(C)c1)C1CCCC1 ZINC000037756689 170163340 /nfs/dbraw/zinc/16/33/40/170163340.db2.gz FBMUZKVNKOZLEB-INIZCTEOSA-N 1 0 231.383 4.144 10 0 BIAERO CCC[NH2+][C@@H](CCC)c1cnc2ccccc2c1 ZINC000037762068 169278444 /nfs/dbraw/zinc/27/84/44/169278444.db2.gz FCXHNNDYBDUKPF-HNNXBMFYSA-N 1 0 242.366 4.076 10 0 BIAERO CCCC(CCC)[NH2+][C@@H](C)c1ccccc1F ZINC000037764223 168583516 /nfs/dbraw/zinc/58/35/16/168583516.db2.gz ORQBCNZLXVSRNJ-LBPRGKRZSA-N 1 0 237.362 4.445 10 0 BIAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000037771982 169360215 /nfs/dbraw/zinc/36/02/15/169360215.db2.gz WGMMKJQJMFLDGY-MNOVXSKESA-N 1 0 241.325 4.052 10 0 BIAERO CCC[C@@H](C)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000037771984 169361158 /nfs/dbraw/zinc/36/11/58/169361158.db2.gz WGMMKJQJMFLDGY-GHMZBOCLSA-N 1 0 241.325 4.052 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)c(C)c1 ZINC000037772247 178895478 /nfs/dbraw/zinc/89/54/78/178895478.db2.gz ICTUZDZMJAWQIN-KBPBESRZSA-N 1 0 231.383 4.143 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)c(C)c1 ZINC000037772298 324576184 /nfs/dbraw/zinc/57/61/84/324576184.db2.gz NSAKXMIILIHNCF-CVEARBPZSA-N 1 0 243.394 4.310 10 0 BIAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC=CCC2)c(C)c1 ZINC000037772299 324576080 /nfs/dbraw/zinc/57/60/80/324576080.db2.gz NSAKXMIILIHNCF-HOTGVXAUSA-N 1 0 243.394 4.310 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)c(C)c1 ZINC000037772300 388647036 /nfs/dbraw/zinc/64/70/36/388647036.db2.gz NSAKXMIILIHNCF-HZPDHXFCSA-N 1 0 243.394 4.310 10 0 BIAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC=CCC2)c(C)c1 ZINC000037772301 388647448 /nfs/dbraw/zinc/64/74/48/388647448.db2.gz NSAKXMIILIHNCF-JKSUJKDBSA-N 1 0 243.394 4.310 10 0 BIAERO Cc1ccccc1C[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000037777005 179288607 /nfs/dbraw/zinc/28/86/07/179288607.db2.gz FSVKHHQVRPKBIJ-GNHJJJEISA-N 1 0 245.410 4.094 10 0 BIAERO Cc1ccccc1C[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000037777006 179290704 /nfs/dbraw/zinc/29/07/04/179290704.db2.gz FSVKHHQVRPKBIJ-GULBITTBSA-N 1 0 245.410 4.094 10 0 BIAERO Cc1ccccc1C[C@@H](C)[NH2+]C1CCCCCC1 ZINC000037777007 179289152 /nfs/dbraw/zinc/28/91/52/179289152.db2.gz UASOXOXLZHBLSU-OAHLLOKOSA-N 1 0 245.410 4.238 10 0 BIAERO Cc1ccccc1C[C@H](C)[NH2+]C1CCCCCC1 ZINC000037777008 179291035 /nfs/dbraw/zinc/29/10/35/179291035.db2.gz UASOXOXLZHBLSU-HNNXBMFYSA-N 1 0 245.410 4.238 10 0 BIAERO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000037777023 179288731 /nfs/dbraw/zinc/28/87/31/179288731.db2.gz FWMKTZPTWAISBV-ZMSDIMECSA-N 1 0 245.410 4.094 10 0 BIAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000037777024 179291047 /nfs/dbraw/zinc/29/10/47/179291047.db2.gz FWMKTZPTWAISBV-YQQAZPJKSA-N 1 0 245.410 4.094 10 0 BIAERO Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000037777025 179289244 /nfs/dbraw/zinc/28/92/44/179289244.db2.gz FWMKTZPTWAISBV-UXLLHSPISA-N 1 0 245.410 4.094 10 0 BIAERO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000037777026 179291272 /nfs/dbraw/zinc/29/12/72/179291272.db2.gz FWMKTZPTWAISBV-ZOBUZTSGSA-N 1 0 245.410 4.094 10 0 BIAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037777028 179291156 /nfs/dbraw/zinc/29/11/56/179291156.db2.gz PTCDUUKMGJZJTL-JLJPHGGASA-N 1 0 245.410 4.094 10 0 BIAERO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037777030 179290674 /nfs/dbraw/zinc/29/06/74/179290674.db2.gz PTCDUUKMGJZJTL-QRTARXTBSA-N 1 0 245.410 4.094 10 0 BIAERO Cc1ccccc1C[C@@H](C)[NH2+]CC1CCCCC1 ZINC000037777053 179288670 /nfs/dbraw/zinc/28/86/70/179288670.db2.gz WAEMOKIVNAGFMJ-OAHLLOKOSA-N 1 0 245.410 4.096 10 0 BIAERO Cc1ccccc1C[C@H](C)[NH2+]CC1CCCCC1 ZINC000037777054 179290503 /nfs/dbraw/zinc/29/05/03/179290503.db2.gz WAEMOKIVNAGFMJ-HNNXBMFYSA-N 1 0 245.410 4.096 10 0 BIAERO CCCC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1C ZINC000037777132 168990944 /nfs/dbraw/zinc/99/09/44/168990944.db2.gz XJNZUZNPPUMEGX-GJZGRUSLSA-N 1 0 233.399 4.094 10 0 BIAERO CC[C@H](C)[C@@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000037927181 171368732 /nfs/dbraw/zinc/36/87/32/171368732.db2.gz WQBBDBLMWZYUPC-DZGCQCFKSA-N 1 0 233.399 4.204 10 0 BIAERO CC[C@H](C)[C@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000037927183 171392167 /nfs/dbraw/zinc/39/21/67/171392167.db2.gz WQBBDBLMWZYUPC-ZFWWWQNUSA-N 1 0 233.399 4.204 10 0 BIAERO CC[C@H](C)[C@@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000037927248 171368971 /nfs/dbraw/zinc/36/89/71/171368971.db2.gz VDVFNJQLNQKDDQ-GOEBONIOSA-N 1 0 233.399 4.062 10 0 BIAERO CC[C@H](C)[C@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000037927250 171391933 /nfs/dbraw/zinc/39/19/33/171391933.db2.gz VDVFNJQLNQKDDQ-HOCLYGCPSA-N 1 0 233.399 4.062 10 0 BIAERO CC[C@H](C)[C@@H](C[NH2+]C1CCCC1)c1ccccc1 ZINC000037927334 171368819 /nfs/dbraw/zinc/36/88/19/171368819.db2.gz GHWMNSNTYKZKCG-WMLDXEAASA-N 1 0 245.410 4.349 10 0 BIAERO CC[C@@H](C)[C@H](C[NH2+]C1CCCC1)c1ccccc1 ZINC000037927335 170793338 /nfs/dbraw/zinc/79/33/38/170793338.db2.gz GHWMNSNTYKZKCG-PBHICJAKSA-N 1 0 245.410 4.349 10 0 BIAERO CC[C@H](C)[C@H](C[NH2+]C1CCCC1)c1ccccc1 ZINC000037927336 171392404 /nfs/dbraw/zinc/39/24/04/171392404.db2.gz GHWMNSNTYKZKCG-YOEHRIQHSA-N 1 0 245.410 4.349 10 0 BIAERO c1c(C[NH2+]C2CCCC2)sc2c1CCCCC2 ZINC000037927344 183321445 /nfs/dbraw/zinc/32/14/45/183321445.db2.gz FZHSVUPLZPIANW-UHFFFAOYSA-N 1 0 249.423 4.049 10 0 BIAERO c1c(C[NH2+]C2CCCCCC2)sc2c1CCC2 ZINC000037927414 183321174 /nfs/dbraw/zinc/32/11/74/183321174.db2.gz DDQAQJKXHMXARA-UHFFFAOYSA-N 1 0 249.423 4.049 10 0 BIAERO CCCC[C@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000037934944 168989808 /nfs/dbraw/zinc/98/98/08/168989808.db2.gz BFLYTXLNNQBTOV-AWEZNQCLSA-N 1 0 233.399 4.133 10 0 BIAERO CC[NH2+][C@@H](CCc1ccsc1)c1ccccc1 ZINC000037948047 170145308 /nfs/dbraw/zinc/14/53/08/170145308.db2.gz CVLFKIKHANARCE-HNNXBMFYSA-N 1 0 245.391 4.032 10 0 BIAERO CC[NH2+][C@H](CCc1ccsc1)c1ccccc1 ZINC000037948048 170162452 /nfs/dbraw/zinc/16/24/52/170162452.db2.gz CVLFKIKHANARCE-OAHLLOKOSA-N 1 0 245.391 4.032 10 0 BIAERO CCC[NH2+][C@@H](CCC)CCc1ccc(C)cc1 ZINC000037948341 169278287 /nfs/dbraw/zinc/27/82/87/169278287.db2.gz UNXINJNDDSLXOG-INIZCTEOSA-N 1 0 233.399 4.096 10 0 BIAERO CCC[NH2+][C@H](CCC)CCc1ccc(C)cc1 ZINC000037948342 169288769 /nfs/dbraw/zinc/28/87/69/169288769.db2.gz UNXINJNDDSLXOG-MRXNPFEDSA-N 1 0 233.399 4.096 10 0 BIAERO CCC[NH2+][C@@H](CCC)CCc1cccc(C)c1 ZINC000037948345 169278514 /nfs/dbraw/zinc/27/85/14/169278514.db2.gz DKRYVFQRBHZAMS-INIZCTEOSA-N 1 0 233.399 4.096 10 0 BIAERO CCC[NH2+][C@H](CCC)CCc1cccc(C)c1 ZINC000037948346 169289070 /nfs/dbraw/zinc/28/90/70/169289070.db2.gz DKRYVFQRBHZAMS-MRXNPFEDSA-N 1 0 233.399 4.096 10 0 BIAERO CCC[NH2+][C@@H](CCC)CCc1ccccc1C ZINC000037948347 169277849 /nfs/dbraw/zinc/27/78/49/169277849.db2.gz RHIZRURVLYXTRN-INIZCTEOSA-N 1 0 233.399 4.096 10 0 BIAERO CCC[NH2+][C@H](CCC)CCc1ccccc1C ZINC000037948348 169288927 /nfs/dbraw/zinc/28/89/27/169288927.db2.gz RHIZRURVLYXTRN-MRXNPFEDSA-N 1 0 233.399 4.096 10 0 BIAERO CC[NH2+][C@@H](CC)CCc1cccc2ccccc21 ZINC000037948697 170144245 /nfs/dbraw/zinc/14/42/45/170144245.db2.gz FVGDKINLPBRTKV-INIZCTEOSA-N 1 0 241.378 4.161 10 0 BIAERO CC[NH2+][C@H](CC)CCc1cccc2ccccc21 ZINC000037948698 170160906 /nfs/dbraw/zinc/16/09/06/170160906.db2.gz FVGDKINLPBRTKV-MRXNPFEDSA-N 1 0 241.378 4.161 10 0 BIAERO CC[NH2+][C@@H](CC)CCc1ccc(C(C)C)cc1 ZINC000037948765 170143820 /nfs/dbraw/zinc/14/38/20/170143820.db2.gz VLRBGQWIOUQFTM-INIZCTEOSA-N 1 0 233.399 4.131 10 0 BIAERO CC[NH2+][C@H](CC)CCc1ccc(C(C)C)cc1 ZINC000037948766 170160691 /nfs/dbraw/zinc/16/06/91/170160691.db2.gz VLRBGQWIOUQFTM-MRXNPFEDSA-N 1 0 233.399 4.131 10 0 BIAERO C[NH2+][C@H](CCc1cccc2ccccc21)C(C)C ZINC000037948897 173452441 /nfs/dbraw/zinc/45/24/41/173452441.db2.gz CSHQJVMGSMJQCI-QGZVFWFLSA-N 1 0 241.378 4.016 10 0 BIAERO CC[NH2+][C@@H](C)[C@@H](C)Cc1cccc2ccccc21 ZINC000037949387 170140476 /nfs/dbraw/zinc/14/04/76/170140476.db2.gz XXTWFGSYJWVMEE-KBPBESRZSA-N 1 0 241.378 4.016 10 0 BIAERO CC[NH2+][C@H](C)[C@@H](C)Cc1cccc2ccccc21 ZINC000037949388 170158681 /nfs/dbraw/zinc/15/86/81/170158681.db2.gz XXTWFGSYJWVMEE-UONOGXRCSA-N 1 0 241.378 4.016 10 0 BIAERO CC[NH2+][C@@H](C)[C@H](C)Cc1cccc2ccccc21 ZINC000037949389 170141010 /nfs/dbraw/zinc/14/10/10/170141010.db2.gz XXTWFGSYJWVMEE-KGLIPLIRSA-N 1 0 241.378 4.016 10 0 BIAERO CC[NH2+][C@H](C)[C@H](C)Cc1cccc2ccccc21 ZINC000037949390 170158502 /nfs/dbraw/zinc/15/85/02/170158502.db2.gz XXTWFGSYJWVMEE-ZIAGYGMSSA-N 1 0 241.378 4.016 10 0 BIAERO CC(C)[NH2+]Cc1sc2ccccc2c1Cl ZINC000037977114 167123162 /nfs/dbraw/zinc/12/31/62/167123162.db2.gz PGGVBCQSNFGVSQ-UHFFFAOYSA-N 1 0 239.771 4.053 10 0 BIAERO CCC[NH2+]Cc1sc2ccccc2c1Cl ZINC000037977143 169270408 /nfs/dbraw/zinc/27/04/08/169270408.db2.gz ONPNEKXSTJBUSE-UHFFFAOYSA-N 1 0 239.771 4.054 10 0 BIAERO C[C@@H]([NH2+]CCC(C)(C)C)c1cccc(Cl)c1 ZINC000037978912 175870628 /nfs/dbraw/zinc/87/06/28/175870628.db2.gz OXFXEMHXVRXGMB-LLVKDONJSA-N 1 0 239.790 4.427 10 0 BIAERO CC[NH2+][C@@H](Cc1ccccc1C)C1CCCCC1 ZINC000037992919 170146550 /nfs/dbraw/zinc/14/65/50/170146550.db2.gz OYKGJWGZGPCSKE-KRWDZBQOSA-N 1 0 245.410 4.096 10 0 BIAERO CC[NH2+][C@H](Cc1ccccc1C)C1CCCCC1 ZINC000037992920 170162509 /nfs/dbraw/zinc/16/25/09/170162509.db2.gz OYKGJWGZGPCSKE-QGZVFWFLSA-N 1 0 245.410 4.096 10 0 BIAERO CCC[NH2+][C@@H](Cc1ccccc1C)C1CCCC1 ZINC000037996379 169279077 /nfs/dbraw/zinc/27/90/77/169279077.db2.gz OVRUOKXJEMCNCG-KRWDZBQOSA-N 1 0 245.410 4.096 10 0 BIAERO CCC[NH2+][C@H](Cc1ccccc1C)C1CCCC1 ZINC000037996380 169289751 /nfs/dbraw/zinc/28/97/51/169289751.db2.gz OVRUOKXJEMCNCG-QGZVFWFLSA-N 1 0 245.410 4.096 10 0 BIAERO CCC[NH2+][C@@H](C)CCc1cccc2ccccc21 ZINC000038001093 169274794 /nfs/dbraw/zinc/27/47/94/169274794.db2.gz XECIIJVUFGDQRJ-AWEZNQCLSA-N 1 0 241.378 4.161 10 0 BIAERO CCC[NH2+][C@H](C)CCc1cccc2ccccc21 ZINC000038001094 169285802 /nfs/dbraw/zinc/28/58/02/169285802.db2.gz XECIIJVUFGDQRJ-CQSZACIVSA-N 1 0 241.378 4.161 10 0 BIAERO CCC[NH2+][C@@H](C)CCc1ccc(C(C)C)cc1 ZINC000038001145 169275395 /nfs/dbraw/zinc/27/53/95/169275395.db2.gz ACNDHYDSMZHZRL-AWEZNQCLSA-N 1 0 233.399 4.131 10 0 BIAERO CCC[NH2+][C@H](C)CCc1ccc(C(C)C)cc1 ZINC000038001146 169286104 /nfs/dbraw/zinc/28/61/04/169286104.db2.gz ACNDHYDSMZHZRL-CQSZACIVSA-N 1 0 233.399 4.131 10 0 BIAERO CCC[C@@H](CCc1cccc2ccccc21)[NH2+]C ZINC000038001167 169382728 /nfs/dbraw/zinc/38/27/28/169382728.db2.gz ADHRHUGFBSQPLZ-INIZCTEOSA-N 1 0 241.378 4.161 10 0 BIAERO CCC[C@@H](CCc1ccccc1Cl)[NH2+]CC ZINC000038001203 169383070 /nfs/dbraw/zinc/38/30/70/169383070.db2.gz QEGLFWXJASMDMH-ZDUSSCGKSA-N 1 0 239.790 4.051 10 0 BIAERO CCC[C@H](CCc1ccccc1Cl)[NH2+]CC ZINC000038001204 169498076 /nfs/dbraw/zinc/49/80/76/169498076.db2.gz QEGLFWXJASMDMH-CYBMUJFWSA-N 1 0 239.790 4.051 10 0 BIAERO CCC[C@@H](CCc1ccc(Cl)s1)[NH2+]CC ZINC000038001209 169383243 /nfs/dbraw/zinc/38/32/43/169383243.db2.gz WJXMBSNWVRAMLG-JTQLQIEISA-N 1 0 245.819 4.112 10 0 BIAERO CC[C@@H](Cc1cccc2ccccc21)[C@@H](C)[NH2+]C ZINC000038004624 170855643 /nfs/dbraw/zinc/85/56/43/170855643.db2.gz ZFKZGHXNULWTBK-KGLIPLIRSA-N 1 0 241.378 4.016 10 0 BIAERO CC[C@@H](C)[C@@H](C[NH2+][C@@H](C)CC)c1ccccc1 ZINC000038065470 171341203 /nfs/dbraw/zinc/34/12/03/171341203.db2.gz CCURNKBZYONYEK-IJEWVQPXSA-N 1 0 233.399 4.204 10 0 BIAERO CC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[C@@H](C)CC ZINC000038065471 171341277 /nfs/dbraw/zinc/34/12/77/171341277.db2.gz CCURNKBZYONYEK-OFQRWUPVSA-N 1 0 233.399 4.204 10 0 BIAERO CC[C@@H](C)[C@H](C[NH2+][C@@H](C)CC)c1ccccc1 ZINC000038065472 171341809 /nfs/dbraw/zinc/34/18/09/171341809.db2.gz CCURNKBZYONYEK-YCPHGPKFSA-N 1 0 233.399 4.204 10 0 BIAERO CC[C@H](C)[NH2+]C[C@H](c1ccccc1)[C@@H](C)CC ZINC000038065473 171342308 /nfs/dbraw/zinc/34/23/08/171342308.db2.gz CCURNKBZYONYEK-DZKIICNBSA-N 1 0 233.399 4.204 10 0 BIAERO C[NH2+][C@H](C)c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000038069769 173448531 /nfs/dbraw/zinc/44/85/31/173448531.db2.gz ZYDHXZGRQSZLHF-CQSZACIVSA-N 1 0 239.362 4.251 10 0 BIAERO CC[C@@H]([NH3+])c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000038069787 170870304 /nfs/dbraw/zinc/87/03/04/170870304.db2.gz NVNWKNKXLKHYRN-QGZVFWFLSA-N 1 0 239.362 4.380 10 0 BIAERO CC[C@H]([NH3+])c1cccc(-c2cc(C)cc(C)c2)c1 ZINC000038069789 171490989 /nfs/dbraw/zinc/49/09/89/171490989.db2.gz FZVHUHDZKVLOGW-KRWDZBQOSA-N 1 0 239.362 4.380 10 0 BIAERO CC[NH2+]Cc1cccc(-c2cc(C)cc(C)c2)c1 ZINC000038069797 170127495 /nfs/dbraw/zinc/12/74/95/170127495.db2.gz ZADWIXDZVXANLR-UHFFFAOYSA-N 1 0 239.362 4.080 10 0 BIAERO C[NH2+][C@@H](C)c1cccc(-c2cc(C)cc(C)c2)c1 ZINC000038069800 173420126 /nfs/dbraw/zinc/42/01/26/173420126.db2.gz TWPQEEQCXSFNJY-AWEZNQCLSA-N 1 0 239.362 4.251 10 0 BIAERO CC[NH2+]Cc1ccccc1-c1cc(C)cc(C)c1 ZINC000038069802 170128652 /nfs/dbraw/zinc/12/86/52/170128652.db2.gz MQJSLYHRISIWPR-UHFFFAOYSA-N 1 0 239.362 4.080 10 0 BIAERO C[NH2+][C@H](C)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000038069949 173448679 /nfs/dbraw/zinc/44/86/79/173448679.db2.gz LTSXGHYYPADKND-LLVKDONJSA-N 1 0 245.753 4.287 10 0 BIAERO CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000038069952 170126141 /nfs/dbraw/zinc/12/61/41/170126141.db2.gz JURPNGMWQAJUHS-UHFFFAOYSA-N 1 0 245.753 4.117 10 0 BIAERO C[NH2+][C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000038069968 173449460 /nfs/dbraw/zinc/44/94/60/173449460.db2.gz KQXGWQDQFQLAEZ-LLVKDONJSA-N 1 0 245.753 4.287 10 0 BIAERO CC[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC000038069971 170127510 /nfs/dbraw/zinc/12/75/10/170127510.db2.gz HFEFJYMPUYVKLG-UHFFFAOYSA-N 1 0 245.753 4.117 10 0 BIAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000038069974 187262450 /nfs/dbraw/zinc/26/24/50/187262450.db2.gz OUPXCSGWUZATDZ-NSHDSACASA-N 1 0 245.753 4.287 10 0 BIAERO CC[NH2+]Cc1ccccc1-c1ccc(Cl)cc1 ZINC000038069979 170128451 /nfs/dbraw/zinc/12/84/51/170128451.db2.gz GYOHHRQRXDDCIO-UHFFFAOYSA-N 1 0 245.753 4.117 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(C)cc2)cc1 ZINC000038070004 170141390 /nfs/dbraw/zinc/14/13/90/170141390.db2.gz ZSSNHTHYHUPYNX-AWEZNQCLSA-N 1 0 239.362 4.333 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(C)cc2)cc1 ZINC000038070005 170159174 /nfs/dbraw/zinc/15/91/74/170159174.db2.gz ZSSNHTHYHUPYNX-CQSZACIVSA-N 1 0 239.362 4.333 10 0 BIAERO CCC[NH2+]Cc1ccc(-c2ccc(C)cc2)cc1 ZINC000038070007 169267030 /nfs/dbraw/zinc/26/70/30/169267030.db2.gz DAXXDBJLEDBGHK-UHFFFAOYSA-N 1 0 239.362 4.162 10 0 BIAERO Cc1ccc(-c2ccc(C[NH2+]C(C)C)cc2)cc1 ZINC000038070008 178324622 /nfs/dbraw/zinc/32/46/22/178324622.db2.gz GHUSIRJUTBIDIC-UHFFFAOYSA-N 1 0 239.362 4.160 10 0 BIAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccc(C)cc1 ZINC000038070024 170141943 /nfs/dbraw/zinc/14/19/43/170141943.db2.gz WOVOQOXPMYLSSX-AWEZNQCLSA-N 1 0 239.362 4.333 10 0 BIAERO CC[NH2+][C@H](C)c1ccccc1-c1ccc(C)cc1 ZINC000038070025 170159825 /nfs/dbraw/zinc/15/98/25/170159825.db2.gz WOVOQOXPMYLSSX-CQSZACIVSA-N 1 0 239.362 4.333 10 0 BIAERO CCC[NH2+]Cc1cccc(-c2ccc(C)cc2)c1 ZINC000038070030 169268227 /nfs/dbraw/zinc/26/82/27/169268227.db2.gz HTUMIGQTGCMUDS-UHFFFAOYSA-N 1 0 239.362 4.162 10 0 BIAERO Cc1ccc(-c2cccc(C[NH2+]C(C)C)c2)cc1 ZINC000038070031 178327027 /nfs/dbraw/zinc/32/70/27/178327027.db2.gz CXKUSZJBQXBAMB-UHFFFAOYSA-N 1 0 239.362 4.160 10 0 BIAERO CC[NH2+][C@@H](C)c1cccc(-c2ccc(C)cc2)c1 ZINC000038070035 170142285 /nfs/dbraw/zinc/14/22/85/170142285.db2.gz VBOBTUURMIISNQ-AWEZNQCLSA-N 1 0 239.362 4.333 10 0 BIAERO CC[NH2+][C@H](C)c1cccc(-c2ccc(C)cc2)c1 ZINC000038070036 170158873 /nfs/dbraw/zinc/15/88/73/170158873.db2.gz VBOBTUURMIISNQ-CQSZACIVSA-N 1 0 239.362 4.333 10 0 BIAERO CCC[NH2+]Cc1ccccc1-c1ccc(C)cc1 ZINC000038070039 169267646 /nfs/dbraw/zinc/26/76/46/169267646.db2.gz PULAHUWBOZQVCA-UHFFFAOYSA-N 1 0 239.362 4.162 10 0 BIAERO Cc1ccc(-c2ccccc2C[NH2+]C(C)C)cc1 ZINC000038070040 178327005 /nfs/dbraw/zinc/32/70/05/178327005.db2.gz IWFLIVDQVHGQRR-UHFFFAOYSA-N 1 0 239.362 4.160 10 0 BIAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(C)cc2)cc1 ZINC000038070047 170888542 /nfs/dbraw/zinc/88/85/42/170888542.db2.gz FRPKHOLVBKISKL-QGZVFWFLSA-N 1 0 239.362 4.333 10 0 BIAERO CC[C@@H]([NH3+])c1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000038070230 170870313 /nfs/dbraw/zinc/87/03/13/170870313.db2.gz DQJGBBOUPWRUJE-OAHLLOKOSA-N 1 0 247.288 4.042 10 0 BIAERO CC[C@H]([NH3+])c1ccc(-c2cc(C)ccc2F)cc1 ZINC000038070300 171490418 /nfs/dbraw/zinc/49/04/18/171490418.db2.gz RLYQTLGXDATHRV-INIZCTEOSA-N 1 0 243.325 4.211 10 0 BIAERO C[NH2+][C@@H](C)c1ccccc1-c1cc(C)ccc1F ZINC000038070307 173419468 /nfs/dbraw/zinc/41/94/68/173419468.db2.gz QDLOQDXUUMBRTH-LBPRGKRZSA-N 1 0 243.325 4.082 10 0 BIAERO C[NH2+][C@@H](C)c1cccc(-c2cc(C)ccc2F)c1 ZINC000038070315 173420163 /nfs/dbraw/zinc/42/01/63/173420163.db2.gz BKDVAQDJOIPDFZ-LBPRGKRZSA-N 1 0 243.325 4.082 10 0 BIAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccccc1 ZINC000038070624 170142301 /nfs/dbraw/zinc/14/23/01/170142301.db2.gz HLUFIERCVLGIND-ZDUSSCGKSA-N 1 0 225.335 4.024 10 0 BIAERO CCC[NH2+][C@@H](C)c1ccccc1-c1ccccc1 ZINC000038070626 169276924 /nfs/dbraw/zinc/27/69/24/169276924.db2.gz CNZWFXOUWFPUSR-AWEZNQCLSA-N 1 0 239.362 4.414 10 0 BIAERO CCC[NH2+][C@H](C)c1ccccc1-c1ccccc1 ZINC000038070627 169286818 /nfs/dbraw/zinc/28/68/18/169286818.db2.gz CNZWFXOUWFPUSR-CQSZACIVSA-N 1 0 239.362 4.414 10 0 BIAERO CCC[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000038070632 169277433 /nfs/dbraw/zinc/27/74/33/169277433.db2.gz UWMCYAJLTAEJDG-AWEZNQCLSA-N 1 0 239.362 4.414 10 0 BIAERO CCC[NH2+][C@H](C)c1cccc(-c2ccccc2)c1 ZINC000038070633 169287060 /nfs/dbraw/zinc/28/70/60/169287060.db2.gz UWMCYAJLTAEJDG-CQSZACIVSA-N 1 0 239.362 4.414 10 0 BIAERO CC[C@H]([NH2+]C)c1cccc(-c2ccccc2)c1 ZINC000038070644 171514203 /nfs/dbraw/zinc/51/42/03/171514203.db2.gz FEVWFLJNKFDKIN-INIZCTEOSA-N 1 0 225.335 4.024 10 0 BIAERO CC[NH2+][C@@H](CC)c1cccc(-c2ccccc2)c1 ZINC000038070646 170144080 /nfs/dbraw/zinc/14/40/80/170144080.db2.gz IHAYNKFFZJQSAQ-KRWDZBQOSA-N 1 0 239.362 4.414 10 0 BIAERO CC[NH2+][C@H](CC)c1cccc(-c2ccccc2)c1 ZINC000038070647 170161631 /nfs/dbraw/zinc/16/16/31/170161631.db2.gz IHAYNKFFZJQSAQ-QGZVFWFLSA-N 1 0 239.362 4.414 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(-c2ccccc2C)cc1 ZINC000038070664 170159564 /nfs/dbraw/zinc/15/95/64/170159564.db2.gz YRQOWCNPOVEXSL-CQSZACIVSA-N 1 0 239.362 4.333 10 0 BIAERO CCC[NH2+]Cc1ccc(-c2ccccc2C)cc1 ZINC000038070669 169266330 /nfs/dbraw/zinc/26/63/30/169266330.db2.gz NYOJWJSAZAZKTJ-UHFFFAOYSA-N 1 0 239.362 4.162 10 0 BIAERO Cc1ccccc1-c1ccc(C[NH2+]C(C)C)cc1 ZINC000038070670 179235540 /nfs/dbraw/zinc/23/55/40/179235540.db2.gz TZPXKVHMNIMRIM-UHFFFAOYSA-N 1 0 239.362 4.160 10 0 BIAERO CC[C@@H]([NH3+])c1ccc(-c2ccccc2C)cc1 ZINC000038070681 170869934 /nfs/dbraw/zinc/86/99/34/170869934.db2.gz GKAFTJPBTYIVTP-MRXNPFEDSA-N 1 0 225.335 4.072 10 0 BIAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccccc1C ZINC000038070688 170142176 /nfs/dbraw/zinc/14/21/76/170142176.db2.gz PRDBFASRJANDJT-AWEZNQCLSA-N 1 0 239.362 4.333 10 0 BIAERO CC[NH2+][C@H](C)c1ccccc1-c1ccccc1C ZINC000038070689 170159768 /nfs/dbraw/zinc/15/97/68/170159768.db2.gz PRDBFASRJANDJT-CQSZACIVSA-N 1 0 239.362 4.333 10 0 BIAERO CC[NH2+][C@@H](C)c1cccc(-c2ccccc2C)c1 ZINC000038070699 170141938 /nfs/dbraw/zinc/14/19/38/170141938.db2.gz RUWPOMRDOYBVRX-AWEZNQCLSA-N 1 0 239.362 4.333 10 0 BIAERO CC[NH2+][C@H](C)c1cccc(-c2ccccc2C)c1 ZINC000038070700 170159342 /nfs/dbraw/zinc/15/93/42/170159342.db2.gz RUWPOMRDOYBVRX-CQSZACIVSA-N 1 0 239.362 4.333 10 0 BIAERO CCC[NH2+]Cc1ccccc1-c1ccccc1C ZINC000038070705 169267793 /nfs/dbraw/zinc/26/77/93/169267793.db2.gz PPEXCSXDCBVPPA-UHFFFAOYSA-N 1 0 239.362 4.162 10 0 BIAERO Cc1ccccc1-c1ccccc1C[NH2+]C(C)C ZINC000038070706 179236424 /nfs/dbraw/zinc/23/64/24/179236424.db2.gz ZANZCEFHRUDDJJ-UHFFFAOYSA-N 1 0 239.362 4.160 10 0 BIAERO CC[C@H]([NH2+]C)c1ccc(-c2ccccc2C)cc1 ZINC000038070713 171514635 /nfs/dbraw/zinc/51/46/35/171514635.db2.gz NLRUSASXCJKEQU-KRWDZBQOSA-N 1 0 239.362 4.333 10 0 BIAERO CC[C@@H]([NH2+]C)c1cccc(-c2ccccc2C)c1 ZINC000038070723 170888343 /nfs/dbraw/zinc/88/83/43/170888343.db2.gz QKFZYVNRBVIOLC-QGZVFWFLSA-N 1 0 239.362 4.333 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000038070740 170140942 /nfs/dbraw/zinc/14/09/42/170140942.db2.gz SAUIJYCTIMQPEH-LBPRGKRZSA-N 1 0 243.325 4.163 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000038070741 170158972 /nfs/dbraw/zinc/15/89/72/170158972.db2.gz SAUIJYCTIMQPEH-GFCCVEGCSA-N 1 0 243.325 4.163 10 0 BIAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccc(F)cc1 ZINC000038070761 170142063 /nfs/dbraw/zinc/14/20/63/170142063.db2.gz PXZCXXHAZIDKCF-LBPRGKRZSA-N 1 0 243.325 4.163 10 0 BIAERO CC[NH2+][C@H](C)c1ccccc1-c1ccc(F)cc1 ZINC000038070762 170160292 /nfs/dbraw/zinc/16/02/92/170160292.db2.gz PXZCXXHAZIDKCF-GFCCVEGCSA-N 1 0 243.325 4.163 10 0 BIAERO CC[NH2+][C@@H](C)c1cccc(-c2ccc(F)cc2)c1 ZINC000038070772 170142251 /nfs/dbraw/zinc/14/22/51/170142251.db2.gz RCCUIALOYXDZIO-LBPRGKRZSA-N 1 0 243.325 4.163 10 0 BIAERO CC[NH2+][C@H](C)c1cccc(-c2ccc(F)cc2)c1 ZINC000038070773 170158843 /nfs/dbraw/zinc/15/88/43/170158843.db2.gz RCCUIALOYXDZIO-GFCCVEGCSA-N 1 0 243.325 4.163 10 0 BIAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000038070785 171514271 /nfs/dbraw/zinc/51/42/71/171514271.db2.gz ZDGUIDLELPRFBY-INIZCTEOSA-N 1 0 243.325 4.163 10 0 BIAERO CC[C@@H]([NH2+]C)c1cccc(-c2ccc(F)cc2)c1 ZINC000038070795 170888731 /nfs/dbraw/zinc/88/87/31/170888731.db2.gz RAACVCTUVGZUBN-MRXNPFEDSA-N 1 0 243.325 4.163 10 0 BIAERO CC[C@@H]([NH3+])c1cccc(-c2cc(F)ccc2C)c1 ZINC000038070835 170871261 /nfs/dbraw/zinc/87/12/61/170871261.db2.gz WNKRPUWYCDFXLA-MRXNPFEDSA-N 1 0 243.325 4.211 10 0 BIAERO C[NH2+][C@@H](C)c1ccccc1-c1cc(F)ccc1C ZINC000038070838 173420158 /nfs/dbraw/zinc/42/01/58/173420158.db2.gz XFUZPNJGDGTXJF-LBPRGKRZSA-N 1 0 243.325 4.082 10 0 BIAERO C[NH2+]Cc1ccc(-c2ccc3ccccc3c2)cc1 ZINC000038071102 173388216 /nfs/dbraw/zinc/38/82/16/173388216.db2.gz XUABCRZGMSAQHJ-UHFFFAOYSA-N 1 0 247.341 4.226 10 0 BIAERO C[NH2+]Cc1ccccc1-c1ccc2ccccc2c1 ZINC000038071125 188282996 /nfs/dbraw/zinc/28/29/96/188282996.db2.gz IYQHFNJWQJIVAR-UHFFFAOYSA-N 1 0 247.341 4.226 10 0 BIAERO C[NH2+][C@H](C)c1ccccc1-c1ccc(F)cc1C ZINC000038071188 173449368 /nfs/dbraw/zinc/44/93/68/173449368.db2.gz FVJHIRDFJGIRAJ-GFCCVEGCSA-N 1 0 243.325 4.082 10 0 BIAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(F)cc2C)c1 ZINC000038071200 188116924 /nfs/dbraw/zinc/11/69/24/188116924.db2.gz ZSWNUCWTCWCZCI-LBPRGKRZSA-N 1 0 243.325 4.082 10 0 BIAERO C[NH2+][C@H](C)c1ccccc1-c1ccc(F)c(C)c1 ZINC000038071298 173449164 /nfs/dbraw/zinc/44/91/64/173449164.db2.gz CCYNDDBFCXKSFI-GFCCVEGCSA-N 1 0 243.325 4.082 10 0 BIAERO C[NH2+][C@H](C)c1cccc(-c2ccc(F)c(C)c2)c1 ZINC000038071306 173449357 /nfs/dbraw/zinc/44/93/57/173449357.db2.gz OFZRTNBOKOTUMH-GFCCVEGCSA-N 1 0 243.325 4.082 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(-c2cccc(C)c2)cc1 ZINC000038071510 170140609 /nfs/dbraw/zinc/14/06/09/170140609.db2.gz MWWWZTMDCCBEMB-AWEZNQCLSA-N 1 0 239.362 4.333 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(-c2cccc(C)c2)cc1 ZINC000038071511 170159596 /nfs/dbraw/zinc/15/95/96/170159596.db2.gz MWWWZTMDCCBEMB-CQSZACIVSA-N 1 0 239.362 4.333 10 0 BIAERO CCC[NH2+]Cc1ccc(-c2cccc(C)c2)cc1 ZINC000038071514 169267335 /nfs/dbraw/zinc/26/73/35/169267335.db2.gz LJPACGIBSIMSBC-UHFFFAOYSA-N 1 0 239.362 4.162 10 0 BIAERO CC[NH2+][C@@H](C)c1ccccc1-c1cccc(C)c1 ZINC000038071531 170141858 /nfs/dbraw/zinc/14/18/58/170141858.db2.gz BESHQXNAUZKVQK-AWEZNQCLSA-N 1 0 239.362 4.333 10 0 BIAERO CC[NH2+][C@H](C)c1ccccc1-c1cccc(C)c1 ZINC000038071532 170160030 /nfs/dbraw/zinc/16/00/30/170160030.db2.gz BESHQXNAUZKVQK-CQSZACIVSA-N 1 0 239.362 4.333 10 0 BIAERO CCC[NH2+]Cc1cccc(-c2cccc(C)c2)c1 ZINC000038071537 169267719 /nfs/dbraw/zinc/26/77/19/169267719.db2.gz WBZADXMHGSOOEZ-UHFFFAOYSA-N 1 0 239.362 4.162 10 0 BIAERO CC[NH2+][C@@H](C)c1cccc(-c2cccc(C)c2)c1 ZINC000038071542 170142302 /nfs/dbraw/zinc/14/23/02/170142302.db2.gz ROWWSAFJVVXDDN-AWEZNQCLSA-N 1 0 239.362 4.333 10 0 BIAERO CC[NH2+][C@H](C)c1cccc(-c2cccc(C)c2)c1 ZINC000038071543 170159198 /nfs/dbraw/zinc/15/91/98/170159198.db2.gz ROWWSAFJVVXDDN-CQSZACIVSA-N 1 0 239.362 4.333 10 0 BIAERO CCC[NH2+]Cc1ccccc1-c1cccc(C)c1 ZINC000038071546 169267739 /nfs/dbraw/zinc/26/77/39/169267739.db2.gz RHUSRRDJGGQIFF-UHFFFAOYSA-N 1 0 239.362 4.162 10 0 BIAERO CC[C@@H]([NH2+]C)c1ccc(-c2cccc(C)c2)cc1 ZINC000038071554 170888149 /nfs/dbraw/zinc/88/81/49/170888149.db2.gz LWOVDUDOTHAOGF-QGZVFWFLSA-N 1 0 239.362 4.333 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(-c2cccc(F)c2)cc1 ZINC000038071574 170141348 /nfs/dbraw/zinc/14/13/48/170141348.db2.gz PDEQWRJLYQMAQJ-LBPRGKRZSA-N 1 0 243.325 4.163 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(-c2cccc(F)c2)cc1 ZINC000038071575 170159563 /nfs/dbraw/zinc/15/95/63/170159563.db2.gz PDEQWRJLYQMAQJ-GFCCVEGCSA-N 1 0 243.325 4.163 10 0 BIAERO CC[NH2+][C@@H](C)c1ccccc1-c1cccc(F)c1 ZINC000038071600 170141906 /nfs/dbraw/zinc/14/19/06/170141906.db2.gz SZGPCQJXUGXACV-LBPRGKRZSA-N 1 0 243.325 4.163 10 0 BIAERO CC[NH2+][C@H](C)c1ccccc1-c1cccc(F)c1 ZINC000038071601 170160313 /nfs/dbraw/zinc/16/03/13/170160313.db2.gz SZGPCQJXUGXACV-GFCCVEGCSA-N 1 0 243.325 4.163 10 0 BIAERO CC[NH2+][C@@H](C)c1cccc(-c2cccc(F)c2)c1 ZINC000038071611 170141592 /nfs/dbraw/zinc/14/15/92/170141592.db2.gz ZXJMKLHXDHQECF-LBPRGKRZSA-N 1 0 243.325 4.163 10 0 BIAERO CC[NH2+][C@H](C)c1cccc(-c2cccc(F)c2)c1 ZINC000038071612 170159462 /nfs/dbraw/zinc/15/94/62/170159462.db2.gz ZXJMKLHXDHQECF-GFCCVEGCSA-N 1 0 243.325 4.163 10 0 BIAERO CC[C@@H]([NH2+]C)c1cccc(-c2cccc(F)c2)c1 ZINC000038071635 170888765 /nfs/dbraw/zinc/88/87/65/170888765.db2.gz RJFNKIYWAHMHNC-MRXNPFEDSA-N 1 0 243.325 4.163 10 0 BIAERO C[NH2+][C@H](C)c1ccc(-c2cc(C)ccc2C)cc1 ZINC000038072048 173448729 /nfs/dbraw/zinc/44/87/29/173448729.db2.gz NCTDHHNMHCGLNA-CQSZACIVSA-N 1 0 239.362 4.251 10 0 BIAERO C[NH2+][C@@H](C)c1ccc(-c2cc(C)ccc2C)cc1 ZINC000038072049 173418663 /nfs/dbraw/zinc/41/86/63/173418663.db2.gz NCTDHHNMHCGLNA-AWEZNQCLSA-N 1 0 239.362 4.251 10 0 BIAERO CC[C@@H]([NH3+])c1ccc(-c2cc(F)ccc2F)cc1 ZINC000038072229 170869659 /nfs/dbraw/zinc/86/96/59/170869659.db2.gz MVKQUYBESSRHPB-OAHLLOKOSA-N 1 0 247.288 4.042 10 0 BIAERO Cc1cc(C)c(-c2cccc([C@H](C)[NH3+])c2)c(C)c1 ZINC000038072292 177835104 /nfs/dbraw/zinc/83/51/04/177835104.db2.gz DVYMBQYXPULREU-AWEZNQCLSA-N 1 0 239.362 4.299 10 0 BIAERO CC[NH2+]Cc1ccc(-c2ccc(C)cc2C)cc1 ZINC000038072457 170126258 /nfs/dbraw/zinc/12/62/58/170126258.db2.gz JUJUEBCNSDIBKP-UHFFFAOYSA-N 1 0 239.362 4.080 10 0 BIAERO CC(C)Cc1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000038072537 187942617 /nfs/dbraw/zinc/94/26/17/187942617.db2.gz LJBASRDMSWFAPU-UHFFFAOYSA-N 1 0 239.362 4.011 10 0 BIAERO CC[C@H]([NH3+])c1cccc(-c2ccc(F)c(F)c2)c1 ZINC000038072582 171490640 /nfs/dbraw/zinc/49/06/40/171490640.db2.gz WXMPFSVBBNZFMX-HNNXBMFYSA-N 1 0 247.288 4.042 10 0 BIAERO CCc1ccc(-c2ccc([C@H]([NH3+])CC)cc2)cc1 ZINC000038072842 171778888 /nfs/dbraw/zinc/77/88/88/171778888.db2.gz RGZLAXXQPJSPJS-QGZVFWFLSA-N 1 0 239.362 4.326 10 0 BIAERO CCc1ccc(-c2cccc([C@H](C)[NH2+]C)c2)cc1 ZINC000038072855 171778671 /nfs/dbraw/zinc/77/86/71/171778671.db2.gz RSNAWWBBNKASLL-ZDUSSCGKSA-N 1 0 239.362 4.196 10 0 BIAERO CC[NH2+]Cc1ccccc1-c1ccc(C)c(C)c1 ZINC000038073026 170128656 /nfs/dbraw/zinc/12/86/56/170128656.db2.gz PKZKXEGPBIWIAQ-UHFFFAOYSA-N 1 0 239.362 4.080 10 0 BIAERO CCC[NH2+][C@@H](CC)CCc1cc(C)cc(C)c1 ZINC000038076978 169278305 /nfs/dbraw/zinc/27/83/05/169278305.db2.gz UAOJBPAJWFLGIP-INIZCTEOSA-N 1 0 233.399 4.014 10 0 BIAERO CCC[NH2+][C@H](CC)CCc1cc(C)cc(C)c1 ZINC000038076979 169288315 /nfs/dbraw/zinc/28/83/15/169288315.db2.gz UAOJBPAJWFLGIP-MRXNPFEDSA-N 1 0 233.399 4.014 10 0 BIAERO CC[C@@H]([NH3+])c1cccc(-c2ccccc2Cl)c1 ZINC000038078210 170871271 /nfs/dbraw/zinc/87/12/71/170871271.db2.gz QBOZIJGOACTJIJ-OAHLLOKOSA-N 1 0 245.753 4.417 10 0 BIAERO CC[NH2+]Cc1ccc(-c2ccccc2Cl)cc1 ZINC000038078223 170126568 /nfs/dbraw/zinc/12/65/68/170126568.db2.gz WQPGZOITWCMCGT-UHFFFAOYSA-N 1 0 245.753 4.117 10 0 BIAERO CC[NH2+]Cc1cccc(-c2ccccc2Cl)c1 ZINC000038078234 170128484 /nfs/dbraw/zinc/12/84/84/170128484.db2.gz GFACVGZGJGBMFU-UHFFFAOYSA-N 1 0 245.753 4.117 10 0 BIAERO C[NH2+][C@@H](C)c1cccc(-c2ccccc2Cl)c1 ZINC000038078238 173419928 /nfs/dbraw/zinc/41/99/28/173419928.db2.gz RTRSTWGWAPTOBD-NSHDSACASA-N 1 0 245.753 4.287 10 0 BIAERO CC[NH2+]Cc1ccccc1-c1ccccc1Cl ZINC000038078243 170128446 /nfs/dbraw/zinc/12/84/46/170128446.db2.gz DXFNANVYFAXGNJ-UHFFFAOYSA-N 1 0 245.753 4.117 10 0 BIAERO CCOc1ccc([C@H](C)[NH2+]CCCC(C)C)cc1 ZINC000038093382 170562058 /nfs/dbraw/zinc/56/20/58/170562058.db2.gz QRVGQODJBRLANN-AWEZNQCLSA-N 1 0 249.398 4.172 10 0 BIAERO CC(C)CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000038093387 166816714 /nfs/dbraw/zinc/81/67/14/166816714.db2.gz GMQAGLHLRAKNIY-CQSZACIVSA-N 1 0 249.423 4.249 10 0 BIAERO CC(C)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000038093398 388653266 /nfs/dbraw/zinc/65/32/66/388653266.db2.gz IDYGLEKQGUCNMT-NSHDSACASA-N 1 0 241.325 4.052 10 0 BIAERO CC(C)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000038093399 388652821 /nfs/dbraw/zinc/65/28/21/388652821.db2.gz IDYGLEKQGUCNMT-LLVKDONJSA-N 1 0 241.325 4.052 10 0 BIAERO CC(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000038093400 388652976 /nfs/dbraw/zinc/65/29/76/388652976.db2.gz PWKJSFUESUAOPY-NSHDSACASA-N 1 0 241.325 4.052 10 0 BIAERO CC(C)CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000038093401 388652855 /nfs/dbraw/zinc/65/28/55/388652855.db2.gz PWKJSFUESUAOPY-LLVKDONJSA-N 1 0 241.325 4.052 10 0 BIAERO CC[C@H]([NH2+]CCCC(C)C)c1ccc(OC)cc1 ZINC000038093405 171519483 /nfs/dbraw/zinc/51/94/83/171519483.db2.gz WZLXFLHGFPBZOJ-INIZCTEOSA-N 1 0 249.398 4.172 10 0 BIAERO CC(C)CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000038093411 386121211 /nfs/dbraw/zinc/12/12/11/386121211.db2.gz YKYAUDDTKVHTDN-NSHDSACASA-N 1 0 241.325 4.052 10 0 BIAERO CC(C)CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000038093412 386120147 /nfs/dbraw/zinc/12/01/47/386120147.db2.gz YKYAUDDTKVHTDN-LLVKDONJSA-N 1 0 241.325 4.052 10 0 BIAERO COc1ccc(C)cc1[C@@H](C)[NH2+]CCCC(C)C ZINC000038093421 175078986 /nfs/dbraw/zinc/07/89/86/175078986.db2.gz XIIRFLXPQNPGRN-CQSZACIVSA-N 1 0 249.398 4.090 10 0 BIAERO COc1ccc(C)cc1[C@H](C)[NH2+]CCCC(C)C ZINC000038093422 175081593 /nfs/dbraw/zinc/08/15/93/175081593.db2.gz XIIRFLXPQNPGRN-AWEZNQCLSA-N 1 0 249.398 4.090 10 0 BIAERO Cc1ccccc1C1CC([NH2+]CCCC(C)C)C1 ZINC000038093613 179256666 /nfs/dbraw/zinc/25/66/66/179256666.db2.gz PQYUWTHSZZBSIW-UHFFFAOYSA-N 1 0 245.410 4.267 10 0 BIAERO Cc1cccc([C@@H](C)[NH2+]CCCC(C)C)c1 ZINC000038093671 323383351 /nfs/dbraw/zinc/38/33/51/323383351.db2.gz LDBULEKFVHSEPA-CQSZACIVSA-N 1 0 219.372 4.082 10 0 BIAERO Cc1cccc([C@H](C)[NH2+]CCCC(C)C)c1 ZINC000038093672 323383392 /nfs/dbraw/zinc/38/33/92/323383392.db2.gz LDBULEKFVHSEPA-AWEZNQCLSA-N 1 0 219.372 4.082 10 0 BIAERO COc1cc(C)ccc1[C@@H](C)[NH2+]CCCC(C)C ZINC000038093684 174970869 /nfs/dbraw/zinc/97/08/69/174970869.db2.gz IVJIMFIULIGUHJ-CQSZACIVSA-N 1 0 249.398 4.090 10 0 BIAERO COc1cc(C)ccc1[C@H](C)[NH2+]CCCC(C)C ZINC000038093685 174970663 /nfs/dbraw/zinc/97/06/63/174970663.db2.gz IVJIMFIULIGUHJ-AWEZNQCLSA-N 1 0 249.398 4.090 10 0 BIAERO Cc1cc(C)c([C@@H](C)[NH2+]CCCC(C)C)c(C)n1 ZINC000038093703 177869968 /nfs/dbraw/zinc/86/99/68/177869968.db2.gz BFMLYLZMAJYEST-CQSZACIVSA-N 1 0 248.414 4.094 10 0 BIAERO Cc1cc(C)c([C@H](C)[NH2+]CCCC(C)C)c(C)n1 ZINC000038093704 177874604 /nfs/dbraw/zinc/87/46/04/177874604.db2.gz BFMLYLZMAJYEST-AWEZNQCLSA-N 1 0 248.414 4.094 10 0 BIAERO CC(C)CCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000038093725 166817400 /nfs/dbraw/zinc/81/74/00/166817400.db2.gz JWVWUWRFJNYCBJ-INIZCTEOSA-N 1 0 249.373 4.303 10 0 BIAERO C[C@@H]1CC(C)(C)C[C@@](C)([NH+]2CCCCC2)C1 ZINC000038302332 176052321 /nfs/dbraw/zinc/05/23/21/176052321.db2.gz VUSYWAZWKURZOW-HIFRSBDPSA-N 1 0 223.404 4.077 10 0 BIAERO C[C@H]1CC(C)(C)C[C@@](C)([NH+]2CCCCC2)C1 ZINC000038302333 177063961 /nfs/dbraw/zinc/06/39/61/177063961.db2.gz VUSYWAZWKURZOW-ZFWWWQNUSA-N 1 0 223.404 4.077 10 0 BIAERO C[C@@H]1CC(C)(C)C[C@](C)([NH+]2CCCCC2)C1 ZINC000038302334 176051961 /nfs/dbraw/zinc/05/19/61/176051961.db2.gz VUSYWAZWKURZOW-UKRRQHHQSA-N 1 0 223.404 4.077 10 0 BIAERO C[C@H]1CC(C)(C)C[C@](C)([NH+]2CCCCC2)C1 ZINC000038302336 177064000 /nfs/dbraw/zinc/06/40/00/177064000.db2.gz VUSYWAZWKURZOW-DZGCQCFKSA-N 1 0 223.404 4.077 10 0 BIAERO CC[C@@]1(C)CC(C)(C)C[C@@](C)([NH+]2CCCC2)C1 ZINC000038525137 171198201 /nfs/dbraw/zinc/19/82/01/171198201.db2.gz VZMMNFHWJMVOSI-JKSUJKDBSA-N 1 0 237.431 4.467 10 0 BIAERO CC[C@@]1(C)CC(C)(C)C[C@](C)([NH+]2CCCC2)C1 ZINC000038525139 171197310 /nfs/dbraw/zinc/19/73/10/171197310.db2.gz VZMMNFHWJMVOSI-HOTGVXAUSA-N 1 0 237.431 4.467 10 0 BIAERO N#[N+]c1ccc(N2CCCCCC2)c(Cl)c1 ZINC000038635050 187938151 /nfs/dbraw/zinc/93/81/51/187938151.db2.gz PHLQBPPCVSSBHC-UHFFFAOYSA-N 1 0 236.726 4.205 10 0 BIAERO CCC1([NH+]2CCCC2)CC(C)(C)CC(C)(C)C1 ZINC000038813573 168484858 /nfs/dbraw/zinc/48/48/58/168484858.db2.gz ZNVKFZVNJWBJGZ-UHFFFAOYSA-N 1 0 237.431 4.467 10 0 BIAERO CCC1(CC)[NH2+]C(CC)(CC)c2ccccc21 ZINC000038868328 168464897 /nfs/dbraw/zinc/46/48/97/168464897.db2.gz LMQJZPNTLDBCHC-UHFFFAOYSA-N 1 0 231.383 4.320 10 0 BIAERO CCC1=[NH+][C@H](c2ccc(C)cc2)CCC1 ZINC000039100700 343383937 /nfs/dbraw/zinc/38/39/37/343383937.db2.gz UGOFBZQCLHIHSY-AWEZNQCLSA-N 1 0 201.313 4.071 10 0 BIAERO CCC1=[NH+][C@@H](c2ccc(C)cc2)CCC1 ZINC000039100701 343383902 /nfs/dbraw/zinc/38/39/02/343383902.db2.gz UGOFBZQCLHIHSY-CQSZACIVSA-N 1 0 201.313 4.071 10 0 BIAERO N#[N+]c1cc(Cl)c(Cl)cc1Cl ZINC000039237089 372913352 /nfs/dbraw/zinc/91/33/52/372913352.db2.gz NREXGLVXWIYUPK-UHFFFAOYSA-N 1 0 208.455 4.131 10 0 BIAERO Cc1cc(C)c(NC(=[NH2+])c2ccccc2)c(C)c1 ZINC000039245836 358224119 /nfs/dbraw/zinc/22/41/19/358224119.db2.gz PQMJISIECNYFJS-UHFFFAOYSA-N 1 0 238.334 4.049 10 0 BIAERO CCC[NH2+]Cc1ccc(-c2cccs2)cc1F ZINC000040222501 169267084 /nfs/dbraw/zinc/26/70/84/169267084.db2.gz RVOKBHHAIGDBKN-UHFFFAOYSA-N 1 0 249.354 4.054 10 0 BIAERO CC(C)[NH2+]Cc1ccc(-c2cccs2)cc1F ZINC000040222504 167118274 /nfs/dbraw/zinc/11/82/74/167118274.db2.gz JKZSTNAAMKTOHY-UHFFFAOYSA-N 1 0 249.354 4.052 10 0 BIAERO Cc1cccc(Sc2ccccc2[C@H](C)[NH3+])c1 ZINC000040696296 179177107 /nfs/dbraw/zinc/17/71/07/179177107.db2.gz SAUITOZZTPTSKS-LBPRGKRZSA-N 1 0 243.375 4.166 10 0 BIAERO Cc1cccc(Sc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000040696308 179176617 /nfs/dbraw/zinc/17/66/17/179176617.db2.gz ONXILKNPPNEWNZ-LBPRGKRZSA-N 1 0 243.375 4.166 10 0 BIAERO CC(C)CC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000040933787 373933714 /nfs/dbraw/zinc/93/37/14/373933714.db2.gz MRTIHYFVIUJFNU-LBPRGKRZSA-N 1 0 246.181 4.429 10 0 BIAERO CC(C)CC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000040933789 373933859 /nfs/dbraw/zinc/93/38/59/373933859.db2.gz MRTIHYFVIUJFNU-GFCCVEGCSA-N 1 0 246.181 4.429 10 0 BIAERO CC(C)C[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000040933927 373933743 /nfs/dbraw/zinc/93/37/43/373933743.db2.gz XBRONRISJYEAIL-NSHDSACASA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000040933929 373933732 /nfs/dbraw/zinc/93/37/32/373933732.db2.gz XBRONRISJYEAIL-LLVKDONJSA-N 1 0 232.154 4.039 10 0 BIAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)s1 ZINC000041062265 322834081 /nfs/dbraw/zinc/83/40/81/322834081.db2.gz WKLMPODFRFDFBY-WDEREUQCSA-N 1 0 225.401 4.006 10 0 BIAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)s1 ZINC000041062266 384598860 /nfs/dbraw/zinc/59/88/60/384598860.db2.gz WKLMPODFRFDFBY-QWRGUYRKSA-N 1 0 225.401 4.006 10 0 BIAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)s1 ZINC000041062267 384599841 /nfs/dbraw/zinc/59/98/41/384599841.db2.gz WKLMPODFRFDFBY-GHMZBOCLSA-N 1 0 225.401 4.006 10 0 BIAERO CCc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)s1 ZINC000041062268 384176127 /nfs/dbraw/zinc/17/61/27/384176127.db2.gz WKLMPODFRFDFBY-MNOVXSKESA-N 1 0 225.401 4.006 10 0 BIAERO CCC[C@@H](C[NH3+])c1ccc([C@@H](C)CC)cc1 ZINC000041233602 169384051 /nfs/dbraw/zinc/38/40/51/169384051.db2.gz YMEYIMCKAWLEGI-WFASDCNBSA-N 1 0 219.372 4.043 10 0 BIAERO CCC[C@@H](C[NH3+])c1ccc([C@H](C)CC)cc1 ZINC000041233604 169383567 /nfs/dbraw/zinc/38/35/67/169383567.db2.gz YMEYIMCKAWLEGI-DOMZBBRYSA-N 1 0 219.372 4.043 10 0 BIAERO CCC[C@@H](CC[NH3+])c1ccc(C(C)C)cc1 ZINC000041233645 169382186 /nfs/dbraw/zinc/38/21/86/169382186.db2.gz MTFXUDKOUULWFC-AWEZNQCLSA-N 1 0 219.372 4.043 10 0 BIAERO CC[C@@H](C)c1ccc([C@@H](C[NH2+]C)C(C)C)cc1 ZINC000041261991 170805095 /nfs/dbraw/zinc/80/50/95/170805095.db2.gz YPMCUILUPBNEHZ-CJNGLKHVSA-N 1 0 233.399 4.159 10 0 BIAERO CC[C@@H](C)c1ccc([C@H](C[NH2+]C)C(C)C)cc1 ZINC000041261995 170804981 /nfs/dbraw/zinc/80/49/81/170804981.db2.gz YPMCUILUPBNEHZ-CZUORRHYSA-N 1 0 233.399 4.159 10 0 BIAERO CC[C@@H](C)c1ccc([C@@H](CC[NH3+])C(C)C)cc1 ZINC000041262006 170804178 /nfs/dbraw/zinc/80/41/78/170804178.db2.gz OHLJJRDFVFIHSE-CJNGLKHVSA-N 1 0 233.399 4.289 10 0 BIAERO CC[C@@H](C)c1ccc([C@H](CC[NH3+])C(C)C)cc1 ZINC000041262010 170805313 /nfs/dbraw/zinc/80/53/13/170805313.db2.gz OHLJJRDFVFIHSE-CZUORRHYSA-N 1 0 233.399 4.289 10 0 BIAERO CC[C@H](C)c1ccc([C@H](CC[NH3+])C(C)C)cc1 ZINC000041262012 171411724 /nfs/dbraw/zinc/41/17/24/171411724.db2.gz OHLJJRDFVFIHSE-XJKSGUPXSA-N 1 0 233.399 4.289 10 0 BIAERO CCC[C@@H](CC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000041262064 169382280 /nfs/dbraw/zinc/38/22/80/169382280.db2.gz JXIMZRYZMNJQMO-ZDUSSCGKSA-N 1 0 233.399 4.217 10 0 BIAERO C[NH2+]CC[C@@H](CC(C)C)c1cc(C)ccc1C ZINC000041262068 173357625 /nfs/dbraw/zinc/35/76/25/173357625.db2.gz DZJSJKWNDRYIBW-HNNXBMFYSA-N 1 0 233.399 4.043 10 0 BIAERO C[NH2+]CC[C@H](CC(C)C)c1cc(C)ccc1C ZINC000041262070 173358301 /nfs/dbraw/zinc/35/83/01/173358301.db2.gz DZJSJKWNDRYIBW-OAHLLOKOSA-N 1 0 233.399 4.043 10 0 BIAERO C[NH2+]CC[C@@H](CC(C)C)c1cc(C)cc(C)c1 ZINC000041262072 173357740 /nfs/dbraw/zinc/35/77/40/173357740.db2.gz LECPLVGZEABVHS-HNNXBMFYSA-N 1 0 233.399 4.043 10 0 BIAERO C[NH2+]CC[C@H](CC(C)C)c1cc(C)cc(C)c1 ZINC000041262074 173358603 /nfs/dbraw/zinc/35/86/03/173358603.db2.gz LECPLVGZEABVHS-OAHLLOKOSA-N 1 0 233.399 4.043 10 0 BIAERO C[NH2+]CC[C@@H](CC(C)C)c1ccc(C)c(C)c1 ZINC000041262080 173357532 /nfs/dbraw/zinc/35/75/32/173357532.db2.gz VMITZNYECWCLEQ-INIZCTEOSA-N 1 0 233.399 4.043 10 0 BIAERO C[NH2+]CC[C@H](CC(C)C)c1ccc(C)c(C)c1 ZINC000041262082 173358363 /nfs/dbraw/zinc/35/83/63/173358363.db2.gz VMITZNYECWCLEQ-MRXNPFEDSA-N 1 0 233.399 4.043 10 0 BIAERO C[NH2+]CC[C@@H](CC(C)C)c1ccc(C)cc1C ZINC000041262084 173357462 /nfs/dbraw/zinc/35/74/62/173357462.db2.gz VAMKLIXUZYBORI-HNNXBMFYSA-N 1 0 233.399 4.043 10 0 BIAERO C[NH2+]CC[C@H](CC(C)C)c1ccc(C)cc1C ZINC000041262086 173359229 /nfs/dbraw/zinc/35/92/29/173359229.db2.gz VAMKLIXUZYBORI-OAHLLOKOSA-N 1 0 233.399 4.043 10 0 BIAERO C[NH2+]CC[C@@H](CC(C)C)c1cccc(C)c1C ZINC000041262092 173357451 /nfs/dbraw/zinc/35/74/51/173357451.db2.gz SAJDKHYZDAJDGE-HNNXBMFYSA-N 1 0 233.399 4.043 10 0 BIAERO C[NH2+]CC[C@H](CC(C)C)c1cccc(C)c1C ZINC000041262094 173359015 /nfs/dbraw/zinc/35/90/15/173359015.db2.gz SAJDKHYZDAJDGE-OAHLLOKOSA-N 1 0 233.399 4.043 10 0 BIAERO C[NH2+]CC[C@H](CC(C)C)c1ccccc1Cl ZINC000041283068 173359176 /nfs/dbraw/zinc/35/91/76/173359176.db2.gz KUANQOFGPOWSGK-GFCCVEGCSA-N 1 0 239.790 4.079 10 0 BIAERO C[NH2+]CC[C@@H](CC(C)C)c1ccccc1Cl ZINC000041283072 173357486 /nfs/dbraw/zinc/35/74/86/173357486.db2.gz KUANQOFGPOWSGK-LBPRGKRZSA-N 1 0 239.790 4.079 10 0 BIAERO C[NH2+]CC[C@H](CC(C)C)c1cccc(Cl)c1 ZINC000041283080 173358756 /nfs/dbraw/zinc/35/87/56/173358756.db2.gz HMWKYODBQLCVRK-CYBMUJFWSA-N 1 0 239.790 4.079 10 0 BIAERO C[NH2+]CC[C@@H](CC(C)C)c1cccc(Cl)c1 ZINC000041283083 173357661 /nfs/dbraw/zinc/35/76/61/173357661.db2.gz HMWKYODBQLCVRK-ZDUSSCGKSA-N 1 0 239.790 4.079 10 0 BIAERO C[NH2+]CC[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000041283092 173358953 /nfs/dbraw/zinc/35/89/53/173358953.db2.gz BFQNLGOBPPVIPA-CYBMUJFWSA-N 1 0 239.790 4.079 10 0 BIAERO C[NH2+]CC[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000041283096 173357783 /nfs/dbraw/zinc/35/77/83/173357783.db2.gz BFQNLGOBPPVIPA-ZDUSSCGKSA-N 1 0 239.790 4.079 10 0 BIAERO CC(C)Cc1ccc(-c2ccc(C[NH3+])s2)cc1 ZINC000041296551 187265170 /nfs/dbraw/zinc/26/51/70/187265170.db2.gz BTUKWJGSRKAXCJ-UHFFFAOYSA-N 1 0 245.391 4.072 10 0 BIAERO C[NH2+]C[C@H](c1ccc(C(C)C)cc1)C1CCCC1 ZINC000041296579 173377861 /nfs/dbraw/zinc/37/78/61/173377861.db2.gz NGNRQQJEFVXFOF-KRWDZBQOSA-N 1 0 245.410 4.303 10 0 BIAERO C[NH2+]C[C@@H](c1ccc(C(C)C)cc1)C1CCCC1 ZINC000041296581 173366924 /nfs/dbraw/zinc/36/69/24/173366924.db2.gz NGNRQQJEFVXFOF-QGZVFWFLSA-N 1 0 245.410 4.303 10 0 BIAERO CC(C)C[NH2+]CCCc1ccc(C(C)(C)C)cc1 ZINC000041300081 167004662 /nfs/dbraw/zinc/00/46/62/167004662.db2.gz HJOMGRVULBHWFV-UHFFFAOYSA-N 1 0 247.426 4.162 10 0 BIAERO CC(C)[C@@H](CC[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000041300085 167390424 /nfs/dbraw/zinc/39/04/24/167390424.db2.gz RTVPSBUYCVTCPK-HNNXBMFYSA-N 1 0 247.426 4.148 10 0 BIAERO CC(C)C[C@@H](CC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000041300117 187429534 /nfs/dbraw/zinc/42/95/34/187429534.db2.gz IVOUPUMNMZNTBP-OAHLLOKOSA-N 1 0 247.426 4.463 10 0 BIAERO Cc1cccc([C@H]([NH3+])c2cccc(Cl)c2C)c1 ZINC000041653937 179201198 /nfs/dbraw/zinc/20/11/98/179201198.db2.gz NDCHKMOTIBSTSV-HNNXBMFYSA-N 1 0 245.753 4.005 10 0 BIAERO Cc1cccc([C@@H]([NH3+])c2cccc(Cl)c2C)c1 ZINC000041653943 179187093 /nfs/dbraw/zinc/18/70/93/179187093.db2.gz NDCHKMOTIBSTSV-OAHLLOKOSA-N 1 0 245.753 4.005 10 0 BIAERO Cc1cccc([C@H]([NH3+])c2cc(Cl)ccc2C)c1 ZINC000041653948 179201224 /nfs/dbraw/zinc/20/12/24/179201224.db2.gz ZQCYKWGVOLFDBP-HNNXBMFYSA-N 1 0 245.753 4.005 10 0 BIAERO Cc1cccc([C@@H]([NH3+])c2cc(Cl)ccc2C)c1 ZINC000041653954 179186421 /nfs/dbraw/zinc/18/64/21/179186421.db2.gz ZQCYKWGVOLFDBP-OAHLLOKOSA-N 1 0 245.753 4.005 10 0 BIAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2C)o1 ZINC000042209426 322836820 /nfs/dbraw/zinc/83/68/20/322836820.db2.gz RXYWZORZVXMNDT-AWEZNQCLSA-N 1 0 243.350 4.056 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2C)o1 ZINC000042209429 322836753 /nfs/dbraw/zinc/83/67/53/322836753.db2.gz RXYWZORZVXMNDT-CQSZACIVSA-N 1 0 243.350 4.056 10 0 BIAERO C[C@H]([NH2+]CCC(C)(C)C)c1ccc(Cl)cc1 ZINC000042224441 176838983 /nfs/dbraw/zinc/83/89/83/176838983.db2.gz NQFUIIMAWPXMSP-NSHDSACASA-N 1 0 239.790 4.427 10 0 BIAERO CCC(CC)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000042273720 168391089 /nfs/dbraw/zinc/39/10/89/168391089.db2.gz OQYWHQJSLRDMAO-AWEZNQCLSA-N 1 0 233.399 4.094 10 0 BIAERO CCC(CC)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000042273723 168392939 /nfs/dbraw/zinc/39/29/39/168392939.db2.gz OQYWHQJSLRDMAO-CQSZACIVSA-N 1 0 233.399 4.094 10 0 BIAERO CCCC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000042288564 344449170 /nfs/dbraw/zinc/44/91/70/344449170.db2.gz FLIYGDIKHRDZOJ-NSHDSACASA-N 1 0 232.154 4.183 10 0 BIAERO CCCC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000042288566 374256007 /nfs/dbraw/zinc/25/60/07/374256007.db2.gz FLIYGDIKHRDZOJ-LLVKDONJSA-N 1 0 232.154 4.183 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)s1)C(C)C ZINC000042320353 322974877 /nfs/dbraw/zinc/97/48/77/322974877.db2.gz OVXOJVNUTNQLDX-RYUDHWBXSA-N 1 0 225.401 4.142 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)s1)C(C)C ZINC000042320357 384641968 /nfs/dbraw/zinc/64/19/68/384641968.db2.gz OVXOJVNUTNQLDX-NWDGAFQWSA-N 1 0 225.401 4.142 10 0 BIAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)s1)C(C)C ZINC000042320361 322837595 /nfs/dbraw/zinc/83/75/95/322837595.db2.gz OVXOJVNUTNQLDX-NEPJUHHUSA-N 1 0 225.401 4.142 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)s1)C(C)C ZINC000042320365 384786775 /nfs/dbraw/zinc/78/67/75/384786775.db2.gz OVXOJVNUTNQLDX-VXGBXAGGSA-N 1 0 225.401 4.142 10 0 BIAERO c1csc([C@H]([NH2+]CCC2CCCC2)C2CC2)c1 ZINC000042331255 183522863 /nfs/dbraw/zinc/52/28/63/183522863.db2.gz DDAINUMTPSKMGE-OAHLLOKOSA-N 1 0 249.423 4.369 10 0 BIAERO C[NH2+]Cc1csc(-c2c(C)cc(C)cc2C)c1 ZINC000042366170 173394032 /nfs/dbraw/zinc/39/40/32/173394032.db2.gz YQEFYUXOCQJRMR-UHFFFAOYSA-N 1 0 245.391 4.060 10 0 BIAERO C[NH2+]Cc1cc(-c2c(C)cc(C)cc2C)cs1 ZINC000042402099 173385261 /nfs/dbraw/zinc/38/52/61/173385261.db2.gz IIFAXZLCLWIMTM-UHFFFAOYSA-N 1 0 245.391 4.060 10 0 BIAERO C[NH2+]Cc1cc(-c2ccc(C(C)C)cc2)cs1 ZINC000042402218 173385243 /nfs/dbraw/zinc/38/52/43/173385243.db2.gz BUZWVTVPGYKXHV-UHFFFAOYSA-N 1 0 245.391 4.258 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000042551316 171366103 /nfs/dbraw/zinc/36/61/03/171366103.db2.gz UBMURIGPVCYEPV-UONOGXRCSA-N 1 0 241.378 4.364 10 0 BIAERO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000042551319 170791090 /nfs/dbraw/zinc/79/10/90/170791090.db2.gz UBMURIGPVCYEPV-KGLIPLIRSA-N 1 0 241.378 4.364 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000042551322 171389693 /nfs/dbraw/zinc/38/96/93/171389693.db2.gz UBMURIGPVCYEPV-KBPBESRZSA-N 1 0 241.378 4.364 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000042553463 171364448 /nfs/dbraw/zinc/36/44/48/171364448.db2.gz QDZHZOOUMXMUPU-HOBHPSKFSA-N 1 0 245.410 4.265 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000042553468 171388308 /nfs/dbraw/zinc/38/83/08/171388308.db2.gz QDZHZOOUMXMUPU-JCAIJIATSA-N 1 0 245.410 4.265 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000042553510 171364898 /nfs/dbraw/zinc/36/48/98/171364898.db2.gz VVIPCDOPEVSZGJ-HOBHPSKFSA-N 1 0 245.410 4.265 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000042553516 171387901 /nfs/dbraw/zinc/38/79/01/171387901.db2.gz VVIPCDOPEVSZGJ-JCAIJIATSA-N 1 0 245.410 4.265 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000042553522 171364931 /nfs/dbraw/zinc/36/49/31/171364931.db2.gz SILXMIJZBIXGOR-QFNJPPCTSA-N 1 0 249.373 4.096 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000042553528 171388254 /nfs/dbraw/zinc/38/82/54/171388254.db2.gz SILXMIJZBIXGOR-AVHCAHFISA-N 1 0 249.373 4.096 10 0 BIAERO CC[C@@H](C)[C@@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000042553554 170773103 /nfs/dbraw/zinc/77/31/03/170773103.db2.gz YAPOWZVCBKTBAG-WHPGWMBPSA-N 1 0 245.410 4.265 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000042553557 171364806 /nfs/dbraw/zinc/36/48/06/171364806.db2.gz YAPOWZVCBKTBAG-UUNGTBAKSA-N 1 0 245.410 4.265 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000042553563 171388909 /nfs/dbraw/zinc/38/89/09/171388909.db2.gz YAPOWZVCBKTBAG-IQAUEXFUSA-N 1 0 245.410 4.265 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000042554077 171366782 /nfs/dbraw/zinc/36/67/82/171366782.db2.gz MYCLRPSLKCPFKR-MJBXVCDLSA-N 1 0 249.398 4.089 10 0 BIAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000042554081 170792162 /nfs/dbraw/zinc/79/21/62/170792162.db2.gz MYCLRPSLKCPFKR-RDBSUJKOSA-N 1 0 249.398 4.089 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000042554083 171390543 /nfs/dbraw/zinc/39/05/43/171390543.db2.gz MYCLRPSLKCPFKR-IHRRRGAJSA-N 1 0 249.398 4.089 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000042554146 171366640 /nfs/dbraw/zinc/36/66/40/171366640.db2.gz ZSLPRBWNIJBRFO-ZBINZKHDSA-N 1 0 248.414 4.092 10 0 BIAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000042554149 170791918 /nfs/dbraw/zinc/79/19/18/170791918.db2.gz ZSLPRBWNIJBRFO-DGFSRKRXSA-N 1 0 248.414 4.092 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000042554153 171390393 /nfs/dbraw/zinc/39/03/93/171390393.db2.gz ZSLPRBWNIJBRFO-XEGUGMAKSA-N 1 0 248.414 4.092 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000042554231 171366983 /nfs/dbraw/zinc/36/69/83/171366983.db2.gz YSZVMKWFPUQEIC-HWWQOWPSSA-N 1 0 249.373 4.301 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000042554237 171390675 /nfs/dbraw/zinc/39/06/75/171390675.db2.gz YSZVMKWFPUQEIC-MQIPJXDCSA-N 1 0 249.373 4.301 10 0 BIAERO CC[C@H](C)[C@@H](C)Nc1cc[nH+]c2ccccc12 ZINC000042556999 171367631 /nfs/dbraw/zinc/36/76/31/171367631.db2.gz YWOUAWXHPSDFPM-NWDGAFQWSA-N 1 0 228.339 4.081 10 0 BIAERO CC[C@H](C)[C@H](C)Nc1cc[nH+]c2ccccc12 ZINC000042557007 171391146 /nfs/dbraw/zinc/39/11/46/171391146.db2.gz YWOUAWXHPSDFPM-RYUDHWBXSA-N 1 0 228.339 4.081 10 0 BIAERO CC[C@H]([NH2+]Cc1ccc2ccccc2c1)C(C)C ZINC000042584611 343000458 /nfs/dbraw/zinc/00/04/58/343000458.db2.gz NHRCJDGSPWZGCU-KRWDZBQOSA-N 1 0 241.378 4.364 10 0 BIAERO CC[C@@H]([NH2+]Cc1ccc2ccccc2c1)C(C)C ZINC000042584614 343000410 /nfs/dbraw/zinc/00/04/10/343000410.db2.gz NHRCJDGSPWZGCU-QGZVFWFLSA-N 1 0 241.378 4.364 10 0 BIAERO CC[C@H]([NH2+][C@@H](CC)C(C)C)c1ccccc1 ZINC000042584822 322839005 /nfs/dbraw/zinc/83/90/05/322839005.db2.gz LTHQKEGYVDQPMA-GJZGRUSLSA-N 1 0 219.372 4.162 10 0 BIAERO CC[C@@H]([NH2+][C@@H](CC)C(C)C)c1ccccc1 ZINC000042584825 322839164 /nfs/dbraw/zinc/83/91/64/322839164.db2.gz LTHQKEGYVDQPMA-LSDHHAIUSA-N 1 0 219.372 4.162 10 0 BIAERO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)C(C)C ZINC000042584827 384643329 /nfs/dbraw/zinc/64/33/29/384643329.db2.gz LTHQKEGYVDQPMA-CABCVRRESA-N 1 0 219.372 4.162 10 0 BIAERO CC[C@@H]([NH2+][C@H](CC)C(C)C)c1ccccc1 ZINC000042584830 322839040 /nfs/dbraw/zinc/83/90/40/322839040.db2.gz LTHQKEGYVDQPMA-HUUCEWRRSA-N 1 0 219.372 4.162 10 0 BIAERO CC[C@H]([NH2+][C@@H](CC)C(C)C)c1ccc(F)cc1 ZINC000042584900 343000176 /nfs/dbraw/zinc/00/01/76/343000176.db2.gz PCWCPRNHNMEQTF-GJZGRUSLSA-N 1 0 237.362 4.301 10 0 BIAERO CC[C@@H]([NH2+][C@@H](CC)C(C)C)c1ccc(F)cc1 ZINC000042584903 343000357 /nfs/dbraw/zinc/00/03/57/343000357.db2.gz PCWCPRNHNMEQTF-LSDHHAIUSA-N 1 0 237.362 4.301 10 0 BIAERO CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1)C(C)C ZINC000042584906 343000468 /nfs/dbraw/zinc/00/04/68/343000468.db2.gz PCWCPRNHNMEQTF-CABCVRRESA-N 1 0 237.362 4.301 10 0 BIAERO CC[C@@H]([NH2+][C@H](CC)C(C)C)c1ccc(F)cc1 ZINC000042584909 170913552 /nfs/dbraw/zinc/91/35/52/170913552.db2.gz PCWCPRNHNMEQTF-HUUCEWRRSA-N 1 0 237.362 4.301 10 0 BIAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H](CC)C(C)C ZINC000042584996 170597293 /nfs/dbraw/zinc/59/72/93/170597293.db2.gz AVHPRSXWFAYJDH-UKRRQHHQSA-N 1 0 249.398 4.171 10 0 BIAERO CC[C@H]([NH2+][C@@H](CC)C(C)C)c1cccs1 ZINC000042585264 322839042 /nfs/dbraw/zinc/83/90/42/322839042.db2.gz PVGAFESLTNUONI-RYUDHWBXSA-N 1 0 225.401 4.223 10 0 BIAERO CC[C@@H]([NH2+][C@@H](CC)C(C)C)c1cccs1 ZINC000042585267 322839162 /nfs/dbraw/zinc/83/91/62/322839162.db2.gz PVGAFESLTNUONI-NWDGAFQWSA-N 1 0 225.401 4.223 10 0 BIAERO CC[C@@H]([NH2+][C@@H](CC)c1cccs1)C(C)C ZINC000042585270 384641910 /nfs/dbraw/zinc/64/19/10/384641910.db2.gz PVGAFESLTNUONI-NEPJUHHUSA-N 1 0 225.401 4.223 10 0 BIAERO CC[C@@H]([NH2+][C@H](CC)C(C)C)c1cccs1 ZINC000042585273 322839136 /nfs/dbraw/zinc/83/91/36/322839136.db2.gz PVGAFESLTNUONI-VXGBXAGGSA-N 1 0 225.401 4.223 10 0 BIAERO CC[C@H]([NH2+]C1CC(c2ccc(C)cc2)C1)C(C)C ZINC000042585747 171515244 /nfs/dbraw/zinc/51/52/44/171515244.db2.gz QPUWACLVPUJTOF-JCYILVPMSA-N 1 0 245.410 4.265 10 0 BIAERO CC[C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C(C)C ZINC000042585753 343000139 /nfs/dbraw/zinc/00/01/39/343000139.db2.gz YAXSOJPCJDMUJG-BCLQGDPASA-N 1 0 249.373 4.096 10 0 BIAERO CC[C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C(C)C ZINC000042585756 384641045 /nfs/dbraw/zinc/64/10/45/384641045.db2.gz YAXSOJPCJDMUJG-AVVWSFFYSA-N 1 0 249.373 4.096 10 0 BIAERO CC[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)C(C)C ZINC000042585778 171515549 /nfs/dbraw/zinc/51/55/49/171515549.db2.gz RHUCBRUQCTZKLO-BCLQGDPASA-N 1 0 249.373 4.096 10 0 BIAERO CC[C@H]([NH2+]C1CC(c2ccccc2C)C1)C(C)C ZINC000042585796 171515362 /nfs/dbraw/zinc/51/53/62/171515362.db2.gz HHSKROSZPAMSHZ-DQPZFDDXSA-N 1 0 245.410 4.265 10 0 BIAERO CC[C@@H]([NH2+]C1CC(c2ccccc2C)C1)C(C)C ZINC000042585799 170889554 /nfs/dbraw/zinc/88/95/54/170889554.db2.gz HHSKROSZPAMSHZ-VMBOVVBDSA-N 1 0 245.410 4.265 10 0 BIAERO CC[C@@H]([NH2+]C1CC(c2ccccc2F)C1)C(C)C ZINC000042585804 170889810 /nfs/dbraw/zinc/88/98/10/170889810.db2.gz WQUMBYKDYZOORO-SEEARECTSA-N 1 0 249.373 4.096 10 0 BIAERO CC[C@H]([NH2+][C@H](C)c1c(C)cc(C)nc1C)C(C)C ZINC000042586216 171545865 /nfs/dbraw/zinc/54/58/65/171545865.db2.gz OXUFAMWZEVFMOZ-CABCVRRESA-N 1 0 248.414 4.092 10 0 BIAERO CC[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CC1)C(C)C ZINC000042586313 170909652 /nfs/dbraw/zinc/90/96/52/170909652.db2.gz YKUJEIOTTFUMHW-HZPDHXFCSA-N 1 0 249.373 4.301 10 0 BIAERO CC[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CC1)C(C)C ZINC000042586316 171547612 /nfs/dbraw/zinc/54/76/12/171547612.db2.gz YKUJEIOTTFUMHW-HOTGVXAUSA-N 1 0 249.373 4.301 10 0 BIAERO CC[C@H](Nc1cc[nH+]c2ccccc12)C(C)C ZINC000042590825 343000271 /nfs/dbraw/zinc/00/02/71/343000271.db2.gz QVBHPDBZCOAXPG-ZDUSSCGKSA-N 1 0 228.339 4.081 10 0 BIAERO CC[C@@H](Nc1cc[nH+]c2ccccc12)C(C)C ZINC000042590827 343000142 /nfs/dbraw/zinc/00/01/42/343000142.db2.gz QVBHPDBZCOAXPG-CYBMUJFWSA-N 1 0 228.339 4.081 10 0 BIAERO CCCC[N@H+]([C@@H](C)CC)[C@@H](C)c1cccc(N)c1 ZINC000042600795 168822418 /nfs/dbraw/zinc/82/24/18/168822418.db2.gz QTDULOBASPFXCS-KBPBESRZSA-N 1 0 248.414 4.230 10 0 BIAERO CC[C@@H](c1ccccc1)[C@@H]([NH3+])c1sccc1C ZINC000042728793 170954834 /nfs/dbraw/zinc/95/48/34/170954834.db2.gz LXYMJTPADYZHQN-UONOGXRCSA-N 1 0 245.391 4.250 10 0 BIAERO CC[NH2+][C@H](c1sccc1C)c1ccccc1C ZINC000042729770 170148579 /nfs/dbraw/zinc/14/85/79/170148579.db2.gz QKMKFLFYGTZUGJ-AWEZNQCLSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1sccc1C)c1ccccc1C ZINC000042729773 170164788 /nfs/dbraw/zinc/16/47/88/170164788.db2.gz QKMKFLFYGTZUGJ-CQSZACIVSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@H](c1sccc1C)c1cccc(C)c1 ZINC000042729944 170148281 /nfs/dbraw/zinc/14/82/81/170148281.db2.gz YTAFPCCFHUQLPY-AWEZNQCLSA-N 1 0 245.391 4.064 10 0 BIAERO CC[NH2+][C@@H](c1sccc1C)c1cccc(C)c1 ZINC000042729947 170163958 /nfs/dbraw/zinc/16/39/58/170163958.db2.gz YTAFPCCFHUQLPY-CQSZACIVSA-N 1 0 245.391 4.064 10 0 BIAERO CCC[NH2+][C@@H](c1ccoc1C)c1sccc1C ZINC000042730114 169280910 /nfs/dbraw/zinc/28/09/10/169280910.db2.gz IMYSHIYYHYUTHH-ZDUSSCGKSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@H](c1ccoc1C)c1sccc1C ZINC000042730116 169290684 /nfs/dbraw/zinc/29/06/84/169290684.db2.gz IMYSHIYYHYUTHH-CYBMUJFWSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@@H](c1occc1C)c1sccc1C ZINC000042730129 169280843 /nfs/dbraw/zinc/28/08/43/169280843.db2.gz LMUONTKEHZTTDD-LBPRGKRZSA-N 1 0 249.379 4.047 10 0 BIAERO CCC[NH2+][C@H](c1occc1C)c1sccc1C ZINC000042730132 169290601 /nfs/dbraw/zinc/29/06/01/169290601.db2.gz LMUONTKEHZTTDD-GFCCVEGCSA-N 1 0 249.379 4.047 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2C)o1 ZINC000042856528 178841590 /nfs/dbraw/zinc/84/15/90/178841590.db2.gz CNXYXQINOUTLTL-YUTCNCBUSA-N 1 0 235.371 4.065 10 0 BIAERO Cc1ccc([C@@H](C[NH3+])SC2CCCCC2)cc1 ZINC000042907666 178856730 /nfs/dbraw/zinc/85/67/30/178856730.db2.gz SMAYFCFZVOQTQW-OAHLLOKOSA-N 1 0 249.423 4.061 10 0 BIAERO Cc1cccc([C@@H](C[NH3+])SC2CCCCC2)c1 ZINC000042970346 179185638 /nfs/dbraw/zinc/18/56/38/179185638.db2.gz FVKQOQMRBFYWEN-OAHLLOKOSA-N 1 0 249.423 4.061 10 0 BIAERO Cc1cccc([C@H](C[NH3+])SC2CCCCC2)c1 ZINC000042970348 179198510 /nfs/dbraw/zinc/19/85/10/179198510.db2.gz FVKQOQMRBFYWEN-HNNXBMFYSA-N 1 0 249.423 4.061 10 0 BIAERO Cc1ccccc1[C@@H](C[NH3+])SC1CCCCC1 ZINC000043041811 187948264 /nfs/dbraw/zinc/94/82/64/187948264.db2.gz LCIHBCSVPJOFDG-OAHLLOKOSA-N 1 0 249.423 4.061 10 0 BIAERO Cc1ccccc1[C@H](C[NH3+])SC1CCCCC1 ZINC000043041814 179342476 /nfs/dbraw/zinc/34/24/76/179342476.db2.gz LCIHBCSVPJOFDG-HNNXBMFYSA-N 1 0 249.423 4.061 10 0 BIAERO CCC[NH2+][C@@H](CCC(C)C)c1ccccc1OC ZINC000043374601 169278571 /nfs/dbraw/zinc/27/85/71/169278571.db2.gz QHUSYHCBTCUYKC-HNNXBMFYSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](CCC(C)C)c1ccccc1OC ZINC000043374603 169289369 /nfs/dbraw/zinc/28/93/69/169289369.db2.gz QHUSYHCBTCUYKC-OAHLLOKOSA-N 1 0 249.398 4.172 10 0 BIAERO CC[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C(C)C ZINC000043390022 322839334 /nfs/dbraw/zinc/83/93/34/322839334.db2.gz YPEKEYFUKOPCGE-ZDUSSCGKSA-N 1 0 243.753 4.003 10 0 BIAERO CC[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C(C)C ZINC000043390024 322839340 /nfs/dbraw/zinc/83/93/40/322839340.db2.gz YPEKEYFUKOPCGE-CYBMUJFWSA-N 1 0 243.753 4.003 10 0 BIAERO CCCC[C@H](CC)COc1cccc([C@H](C)[NH3+])c1 ZINC000043454421 168999172 /nfs/dbraw/zinc/99/91/72/168999172.db2.gz OSRFWSZFLWUFSM-KBPBESRZSA-N 1 0 249.398 4.302 10 0 BIAERO CCC[NH2+][C@@H](CCC)CCCOc1ccccc1 ZINC000043458377 169277660 /nfs/dbraw/zinc/27/76/60/169277660.db2.gz POISDPRKJFOTEA-HNNXBMFYSA-N 1 0 249.398 4.014 10 0 BIAERO CCC[NH2+][C@H](CCC)CCCOc1ccccc1 ZINC000043458378 169289032 /nfs/dbraw/zinc/28/90/32/169289032.db2.gz POISDPRKJFOTEA-OAHLLOKOSA-N 1 0 249.398 4.014 10 0 BIAERO C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1CC(C)C ZINC000043655711 173467979 /nfs/dbraw/zinc/46/79/79/173467979.db2.gz GBYGLQUYQYGEGX-IKGGRYGDSA-N 1 0 245.410 4.204 10 0 BIAERO CCCCC1([NH3+])CCC(C(C)(C)C)CC1 ZINC000044138955 187979272 /nfs/dbraw/zinc/97/92/72/187979272.db2.gz YDBKGJAPGXFKAS-UHFFFAOYSA-N 1 0 211.393 4.110 10 0 BIAERO C[C@H](CCc1ccccc1)[NH2+]CCC(C)(C)C ZINC000044294744 176640211 /nfs/dbraw/zinc/64/02/11/176640211.db2.gz YNQFKMPYTGIIAU-CQSZACIVSA-N 1 0 233.399 4.034 10 0 BIAERO [NH3+]CCCCCc1ccc(-c2ccccc2)cc1 ZINC000044399165 181375094 /nfs/dbraw/zinc/37/50/94/181375094.db2.gz LBTNHMFSTBSGEH-UHFFFAOYSA-N 1 0 239.362 4.025 10 0 BIAERO C[C@H](CC[NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000044427727 176143624 /nfs/dbraw/zinc/14/36/24/176143624.db2.gz DFQFMQYBFAHLEQ-INMHGKMJSA-N 1 0 245.410 4.349 10 0 BIAERO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000044427730 176123361 /nfs/dbraw/zinc/12/33/61/176123361.db2.gz DFQFMQYBFAHLEQ-BFYDXBDKSA-N 1 0 245.410 4.349 10 0 BIAERO CCCC[N+]1=C(C)c2cccc3cccc1c23 ZINC000045202111 169015833 /nfs/dbraw/zinc/01/58/33/169015833.db2.gz REWNPMUUSQLHDJ-UHFFFAOYSA-N 1 0 224.327 4.107 10 0 BIAERO Cc1cccc(C[NH2+][C@@H](C)c2cccs2)c1C ZINC000048298314 179097850 /nfs/dbraw/zinc/09/78/50/179097850.db2.gz TXSACBRWEMKJLU-ZDUSSCGKSA-N 1 0 245.391 4.216 10 0 BIAERO Cc1cccc(C[NH2+][C@H](C)c2cccs2)c1C ZINC000048298316 179099547 /nfs/dbraw/zinc/09/95/47/179099547.db2.gz TXSACBRWEMKJLU-CYBMUJFWSA-N 1 0 245.391 4.216 10 0 BIAERO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C)c2C)o1 ZINC000048298693 487898871 /nfs/dbraw/zinc/89/88/71/487898871.db2.gz LMWNQFASHTYWLP-AWEZNQCLSA-N 1 0 243.350 4.056 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C)c2C)o1 ZINC000048298695 411186806 /nfs/dbraw/zinc/18/68/06/411186806.db2.gz LMWNQFASHTYWLP-CQSZACIVSA-N 1 0 243.350 4.056 10 0 BIAERO CCC[NH2+]Cc1ccc(OCCC(C)(C)C)cc1 ZINC000049253917 169267954 /nfs/dbraw/zinc/26/79/54/169267954.db2.gz LYWYPMJJINDOPS-UHFFFAOYSA-N 1 0 249.398 4.001 10 0 BIAERO CCC[NH2+]Cc1ccccc1OCCC(C)(C)C ZINC000049253936 169267944 /nfs/dbraw/zinc/26/79/44/169267944.db2.gz HXBRUHMJRYBOHO-UHFFFAOYSA-N 1 0 249.398 4.001 10 0 BIAERO CCC[NH2+]Cc1cccc(OCCC(C)(C)C)c1 ZINC000049253994 169267733 /nfs/dbraw/zinc/26/77/33/169267733.db2.gz NCKIOGKPJRLEMG-UHFFFAOYSA-N 1 0 249.398 4.001 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(OCCC(C)(C)C)cc1 ZINC000049254069 170141934 /nfs/dbraw/zinc/14/19/34/170141934.db2.gz DPIXFBFRJVDAIB-ZDUSSCGKSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(OCCC(C)(C)C)cc1 ZINC000049254073 170158982 /nfs/dbraw/zinc/15/89/82/170158982.db2.gz DPIXFBFRJVDAIB-CYBMUJFWSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@@H](C)c1ccccc1OCCC(C)(C)C ZINC000049254106 170141827 /nfs/dbraw/zinc/14/18/27/170141827.db2.gz RZRWRNABVDQJJQ-ZDUSSCGKSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](C)c1ccccc1OCCC(C)(C)C ZINC000049254109 170160445 /nfs/dbraw/zinc/16/04/45/170160445.db2.gz RZRWRNABVDQJJQ-CYBMUJFWSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@@H](C)c1cccc(OCCC(C)(C)C)c1 ZINC000049254128 170142138 /nfs/dbraw/zinc/14/21/38/170142138.db2.gz GAIYHDDNINEYKM-ZDUSSCGKSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](C)c1cccc(OCCC(C)(C)C)c1 ZINC000049254132 170159668 /nfs/dbraw/zinc/15/96/68/170159668.db2.gz GAIYHDDNINEYKM-CYBMUJFWSA-N 1 0 249.398 4.172 10 0 BIAERO CC[C@@H]([NH2+]C)c1ccc(OCCC(C)(C)C)cc1 ZINC000049254138 170888745 /nfs/dbraw/zinc/88/87/45/170888745.db2.gz MZTRJDSRXKCSMM-OAHLLOKOSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](CC)CCc1cc(C)ccc1C ZINC000049257143 169277847 /nfs/dbraw/zinc/27/78/47/169277847.db2.gz DEOWKBYGTFRVFE-INIZCTEOSA-N 1 0 233.399 4.014 10 0 BIAERO CCC[NH2+][C@H](CC)CCc1cc(C)ccc1C ZINC000049257145 169287967 /nfs/dbraw/zinc/28/79/67/169287967.db2.gz DEOWKBYGTFRVFE-MRXNPFEDSA-N 1 0 233.399 4.014 10 0 BIAERO CCC[NH2+][C@@H]1CCC[C@@H]1Cc1cc(C)ccc1C ZINC000049257217 169282055 /nfs/dbraw/zinc/28/20/55/169282055.db2.gz NSJXPFCOAPKWIV-NVXWUHKLSA-N 1 0 245.410 4.014 10 0 BIAERO CCC[NH2+][C@H]1CCC[C@@H]1Cc1cc(C)ccc1C ZINC000049257219 169291104 /nfs/dbraw/zinc/29/11/04/169291104.db2.gz NSJXPFCOAPKWIV-WBVHZDCISA-N 1 0 245.410 4.014 10 0 BIAERO CCC[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)ccc1C ZINC000049257221 169281825 /nfs/dbraw/zinc/28/18/25/169281825.db2.gz NSJXPFCOAPKWIV-DOTOQJQBSA-N 1 0 245.410 4.014 10 0 BIAERO CCC[NH2+][C@H]1CCC[C@H]1Cc1cc(C)ccc1C ZINC000049257223 169292035 /nfs/dbraw/zinc/29/20/35/169292035.db2.gz NSJXPFCOAPKWIV-RDJZCZTQSA-N 1 0 245.410 4.014 10 0 BIAERO CC[NH2+][C@@H]1CCCC[C@@H]1Cc1cc(C)ccc1C ZINC000049257232 170150267 /nfs/dbraw/zinc/15/02/67/170150267.db2.gz RAHLPVDNJUOHEW-NVXWUHKLSA-N 1 0 245.410 4.014 10 0 BIAERO CC[NH2+][C@H]1CCCC[C@@H]1Cc1cc(C)ccc1C ZINC000049257234 170166293 /nfs/dbraw/zinc/16/62/93/170166293.db2.gz RAHLPVDNJUOHEW-WBVHZDCISA-N 1 0 245.410 4.014 10 0 BIAERO CC[NH2+][C@@H]1CCCC[C@H]1Cc1cc(C)ccc1C ZINC000049257236 170150191 /nfs/dbraw/zinc/15/01/91/170150191.db2.gz RAHLPVDNJUOHEW-DOTOQJQBSA-N 1 0 245.410 4.014 10 0 BIAERO CC[NH2+][C@H]1CCCC[C@H]1Cc1cc(C)ccc1C ZINC000049257238 170166141 /nfs/dbraw/zinc/16/61/41/170166141.db2.gz RAHLPVDNJUOHEW-RDJZCZTQSA-N 1 0 245.410 4.014 10 0 BIAERO CCC[NH2+][C@@H](CCC)Cc1cc(C)ccc1C ZINC000049258342 169277749 /nfs/dbraw/zinc/27/77/49/169277749.db2.gz RHNTUZRVHCBDMZ-INIZCTEOSA-N 1 0 233.399 4.014 10 0 BIAERO CCC[NH2+][C@H](CCC)Cc1cc(C)ccc1C ZINC000049258344 169289481 /nfs/dbraw/zinc/28/94/81/169289481.db2.gz RHNTUZRVHCBDMZ-MRXNPFEDSA-N 1 0 233.399 4.014 10 0 BIAERO CC[NH2+][C@@H](CCCCc1ccccc1)C(C)C ZINC000049258724 170145515 /nfs/dbraw/zinc/14/55/15/170145515.db2.gz BCBGFVVZZIATOW-INIZCTEOSA-N 1 0 233.399 4.034 10 0 BIAERO CC[NH2+][C@H](CCCCc1ccccc1)C(C)C ZINC000049258726 170161701 /nfs/dbraw/zinc/16/17/01/170161701.db2.gz BCBGFVVZZIATOW-MRXNPFEDSA-N 1 0 233.399 4.034 10 0 BIAERO CCC[NH2+][C@@H](C)[C@@H](C)CCCc1ccccc1 ZINC000049258743 169276341 /nfs/dbraw/zinc/27/63/41/169276341.db2.gz ICXUBFPVHTUFAN-GJZGRUSLSA-N 1 0 233.399 4.034 10 0 BIAERO CCC[NH2+][C@H](C)[C@@H](C)CCCc1ccccc1 ZINC000049258745 169286178 /nfs/dbraw/zinc/28/61/78/169286178.db2.gz ICXUBFPVHTUFAN-LSDHHAIUSA-N 1 0 233.399 4.034 10 0 BIAERO CCC[NH2+][C@@H](C)[C@H](C)CCCc1ccccc1 ZINC000049258747 169276382 /nfs/dbraw/zinc/27/63/82/169276382.db2.gz ICXUBFPVHTUFAN-CABCVRRESA-N 1 0 233.399 4.034 10 0 BIAERO CCC[NH2+][C@H](C)[C@H](C)CCCc1ccccc1 ZINC000049258749 169285909 /nfs/dbraw/zinc/28/59/09/169285909.db2.gz ICXUBFPVHTUFAN-HUUCEWRRSA-N 1 0 233.399 4.034 10 0 BIAERO CC[NH2+][C@H](C)[C@@H](CC)CCCc1ccccc1 ZINC000049258767 170158714 /nfs/dbraw/zinc/15/87/14/170158714.db2.gz RXMRZYIKVKWJQZ-ZBFHGGJFSA-N 1 0 233.399 4.034 10 0 BIAERO CC[NH2+][C@H](C)[C@H](CC)CCCc1ccccc1 ZINC000049258769 170158204 /nfs/dbraw/zinc/15/82/04/170158204.db2.gz RXMRZYIKVKWJQZ-GDBMZVCRSA-N 1 0 233.399 4.034 10 0 BIAERO CC[NH2+][C@@H](C)[C@@H](CC)CCCc1ccccc1 ZINC000049258771 170140451 /nfs/dbraw/zinc/14/04/51/170140451.db2.gz RXMRZYIKVKWJQZ-HOCLYGCPSA-N 1 0 233.399 4.034 10 0 BIAERO CC[NH2+][C@@H](C)[C@H](CC)CCCc1ccccc1 ZINC000049258773 170141025 /nfs/dbraw/zinc/14/10/25/170141025.db2.gz RXMRZYIKVKWJQZ-GOEBONIOSA-N 1 0 233.399 4.034 10 0 BIAERO CC[C@H](Nc1cccc(C)n1)c1cccs1 ZINC000049531280 353167924 /nfs/dbraw/zinc/16/79/24/353167924.db2.gz UMACXPPKZBWPME-NSHDSACASA-N 1 0 232.352 4.015 10 0 BIAERO CC[C@@H](Nc1cccc(C)n1)c1cccs1 ZINC000049531281 353168353 /nfs/dbraw/zinc/16/83/53/353168353.db2.gz UMACXPPKZBWPME-LLVKDONJSA-N 1 0 232.352 4.015 10 0 BIAERO [NH3+]CCCCCSc1ccc2ccccc2c1 ZINC000049582432 181375523 /nfs/dbraw/zinc/37/55/23/181375523.db2.gz HHWRBCJWEUEYRH-UHFFFAOYSA-N 1 0 245.391 4.061 10 0 BIAERO CC[C@H]([NH2+]Cc1csc2ccccc12)C(C)C ZINC000049593196 171533620 /nfs/dbraw/zinc/53/36/20/171533620.db2.gz DJCZPSWYAMGPKD-AWEZNQCLSA-N 1 0 247.407 4.426 10 0 BIAERO CC[C@@H]([NH2+]Cc1csc2ccccc12)C(C)C ZINC000049593197 343016874 /nfs/dbraw/zinc/01/68/74/343016874.db2.gz DJCZPSWYAMGPKD-CQSZACIVSA-N 1 0 247.407 4.426 10 0 BIAERO CCC[NH2+][C@@H](CC)CCc1ccc(C)c(C)c1 ZINC000049668953 169277879 /nfs/dbraw/zinc/27/78/79/169277879.db2.gz SBXFGBQMVMHAAO-INIZCTEOSA-N 1 0 233.399 4.014 10 0 BIAERO CCC[NH2+][C@H](CC)CCc1ccc(C)c(C)c1 ZINC000049668954 169288276 /nfs/dbraw/zinc/28/82/76/169288276.db2.gz SBXFGBQMVMHAAO-MRXNPFEDSA-N 1 0 233.399 4.014 10 0 BIAERO CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(C)c(C)c1 ZINC000049669000 169282527 /nfs/dbraw/zinc/28/25/27/169282527.db2.gz SOCQOSHBWBHDBX-IAGOWNOFSA-N 1 0 245.410 4.014 10 0 BIAERO CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccc(C)c(C)c1 ZINC000049669001 169290720 /nfs/dbraw/zinc/29/07/20/169290720.db2.gz SOCQOSHBWBHDBX-SJORKVTESA-N 1 0 245.410 4.014 10 0 BIAERO CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccc(C)c(C)c1 ZINC000049669003 169282328 /nfs/dbraw/zinc/28/23/28/169282328.db2.gz SOCQOSHBWBHDBX-DLBZAZTESA-N 1 0 245.410 4.014 10 0 BIAERO CCC[NH2+][C@H]1CCC[C@H]1Cc1ccc(C)c(C)c1 ZINC000049669004 169291629 /nfs/dbraw/zinc/29/16/29/169291629.db2.gz SOCQOSHBWBHDBX-IRXDYDNUSA-N 1 0 245.410 4.014 10 0 BIAERO CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccc(C)c(C)c1 ZINC000049669018 170150189 /nfs/dbraw/zinc/15/01/89/170150189.db2.gz VNYSMJNSCRTTLH-IAGOWNOFSA-N 1 0 245.410 4.014 10 0 BIAERO CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccc(C)c(C)c1 ZINC000049669019 170165635 /nfs/dbraw/zinc/16/56/35/170165635.db2.gz VNYSMJNSCRTTLH-SJORKVTESA-N 1 0 245.410 4.014 10 0 BIAERO CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccc(C)c(C)c1 ZINC000049669020 170150360 /nfs/dbraw/zinc/15/03/60/170150360.db2.gz VNYSMJNSCRTTLH-DLBZAZTESA-N 1 0 245.410 4.014 10 0 BIAERO CC[NH2+][C@H]1CCCC[C@H]1Cc1ccc(C)c(C)c1 ZINC000049669021 170165609 /nfs/dbraw/zinc/16/56/09/170165609.db2.gz VNYSMJNSCRTTLH-IRXDYDNUSA-N 1 0 245.410 4.014 10 0 BIAERO CCC[NH2+][C@@H](CCC)Cc1ccc(C)c(C)c1 ZINC000049669679 169277739 /nfs/dbraw/zinc/27/77/39/169277739.db2.gz JNOHQNKDMGBWNI-INIZCTEOSA-N 1 0 233.399 4.014 10 0 BIAERO CCC[NH2+][C@H](CCC)Cc1ccc(C)c(C)c1 ZINC000049669681 169289274 /nfs/dbraw/zinc/28/92/74/169289274.db2.gz JNOHQNKDMGBWNI-MRXNPFEDSA-N 1 0 233.399 4.014 10 0 BIAERO CC[NH2+][C@@H](Cc1ccc(C)c(C)c1)C1CCCC1 ZINC000049669732 170146208 /nfs/dbraw/zinc/14/62/08/170146208.db2.gz OPCAWMSGTLGRQF-KRWDZBQOSA-N 1 0 245.410 4.014 10 0 BIAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)C1CCCC1 ZINC000049669733 170162457 /nfs/dbraw/zinc/16/24/57/170162457.db2.gz OPCAWMSGTLGRQF-QGZVFWFLSA-N 1 0 245.410 4.014 10 0 BIAERO Cc1cc(C[NH2+]CCC2=CCCCC2)c(C)s1 ZINC000049685040 178020621 /nfs/dbraw/zinc/02/06/21/178020621.db2.gz QZOBXCNAHSAINH-UHFFFAOYSA-N 1 0 249.423 4.345 10 0 BIAERO Cc1c(C)c(C)c([C@@H]([NH3+])CC2CC2)c(C)c1C ZINC000049729375 177574803 /nfs/dbraw/zinc/57/48/03/177574803.db2.gz GLWKTDNWMZBGDE-HNNXBMFYSA-N 1 0 231.383 4.029 10 0 BIAERO CC[NH2+][C@@H](CC1CC1)c1ccc2c(c1)CCCC2 ZINC000049729858 170144183 /nfs/dbraw/zinc/14/41/83/170144183.db2.gz YGMQQFAPINDMEK-KRWDZBQOSA-N 1 0 243.394 4.016 10 0 BIAERO CC[NH2+][C@H](CC1CC1)c1ccc2c(c1)CCCC2 ZINC000049729860 170161311 /nfs/dbraw/zinc/16/13/11/170161311.db2.gz YGMQQFAPINDMEK-QGZVFWFLSA-N 1 0 243.394 4.016 10 0 BIAERO CCC[NH2+][C@@H](CC1CC1)c1ccc(CC)cc1 ZINC000049730227 169278457 /nfs/dbraw/zinc/27/84/57/169278457.db2.gz HEXPKJVSNZIZEQ-INIZCTEOSA-N 1 0 231.383 4.090 10 0 BIAERO CCC[NH2+][C@H](CC1CC1)c1ccc(CC)cc1 ZINC000049730228 169289019 /nfs/dbraw/zinc/28/90/19/169289019.db2.gz HEXPKJVSNZIZEQ-MRXNPFEDSA-N 1 0 231.383 4.090 10 0 BIAERO CC[NH2+][C@@H](CC1CC1)c1ccc(C(C)C)cc1 ZINC000049730383 170144292 /nfs/dbraw/zinc/14/42/92/170144292.db2.gz IQVQBTMDSAPOKN-INIZCTEOSA-N 1 0 231.383 4.261 10 0 BIAERO CC[NH2+][C@H](CC1CC1)c1ccc(C(C)C)cc1 ZINC000049730384 170161675 /nfs/dbraw/zinc/16/16/75/170161675.db2.gz IQVQBTMDSAPOKN-MRXNPFEDSA-N 1 0 231.383 4.261 10 0 BIAERO CCC(CC)(C[NH3+])Cc1cccc2ccccc21 ZINC000049804226 168323039 /nfs/dbraw/zinc/32/30/39/168323039.db2.gz PBPOHVZJUWZFDH-UHFFFAOYSA-N 1 0 241.378 4.147 10 0 BIAERO CCC(CC)(C[NH3+])Cc1ccc(C(C)C)cc1 ZINC000049804231 168323418 /nfs/dbraw/zinc/32/34/18/168323418.db2.gz PDUQSIWWLCTGOJ-UHFFFAOYSA-N 1 0 233.399 4.118 10 0 BIAERO CCC(CC)(C[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000049804232 168322821 /nfs/dbraw/zinc/32/28/21/168322821.db2.gz RPZZEZKLGVJIAG-UHFFFAOYSA-N 1 0 247.426 4.292 10 0 BIAERO Cc1cc(C)c([C@H]([NH3+])C2=CCCCC2)c(C)c1 ZINC000050325896 177875222 /nfs/dbraw/zinc/87/52/22/177875222.db2.gz PSIMJCNHURMRBN-MRXNPFEDSA-N 1 0 229.367 4.112 10 0 BIAERO CC[NH2+][C@@H](c1ccccc1C)C1=CCCCC1 ZINC000050326524 170161064 /nfs/dbraw/zinc/16/10/64/170161064.db2.gz OPQWVQGCRMVFFE-MRXNPFEDSA-N 1 0 229.367 4.146 10 0 BIAERO CC[NH2+][C@H](c1ccccc1C)C1=CCCCC1 ZINC000050326525 170143114 /nfs/dbraw/zinc/14/31/14/170143114.db2.gz OPQWVQGCRMVFFE-INIZCTEOSA-N 1 0 229.367 4.146 10 0 BIAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)C1=CCCCC1 ZINC000050326585 170146274 /nfs/dbraw/zinc/14/62/74/170146274.db2.gz GWSBTYRSSDNLCB-KRWDZBQOSA-N 1 0 243.394 4.016 10 0 BIAERO CC[NH2+][C@H](Cc1ccc(C)cc1)C1=CCCCC1 ZINC000050326586 170162176 /nfs/dbraw/zinc/16/21/76/170162176.db2.gz GWSBTYRSSDNLCB-QGZVFWFLSA-N 1 0 243.394 4.016 10 0 BIAERO CC[NH2+][C@@H](c1cccc(C)c1)C1=CCCCC1 ZINC000050326614 170160887 /nfs/dbraw/zinc/16/08/87/170160887.db2.gz KPOYIKSDZVLUQJ-MRXNPFEDSA-N 1 0 229.367 4.146 10 0 BIAERO CC[NH2+][C@H](c1cccc(C)c1)C1=CCCCC1 ZINC000050326615 170143209 /nfs/dbraw/zinc/14/32/09/170143209.db2.gz KPOYIKSDZVLUQJ-INIZCTEOSA-N 1 0 229.367 4.146 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)c(F)c1)C1=CCCCC1 ZINC000050326639 170160967 /nfs/dbraw/zinc/16/09/67/170160967.db2.gz ORTWNIBHJIXAEQ-MRXNPFEDSA-N 1 0 247.357 4.285 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)c(F)c1)C1=CCCCC1 ZINC000050326641 170142998 /nfs/dbraw/zinc/14/29/98/170142998.db2.gz ORTWNIBHJIXAEQ-INIZCTEOSA-N 1 0 247.357 4.285 10 0 BIAERO CCC[NH2+][C@@H](c1cccc(F)c1)C1=CCCCC1 ZINC000050326849 169288546 /nfs/dbraw/zinc/28/85/46/169288546.db2.gz OGXBJYMQODTIHK-MRXNPFEDSA-N 1 0 247.357 4.367 10 0 BIAERO CCC[NH2+][C@H](c1cccc(F)c1)C1=CCCCC1 ZINC000050326850 169277201 /nfs/dbraw/zinc/27/72/01/169277201.db2.gz OGXBJYMQODTIHK-INIZCTEOSA-N 1 0 247.357 4.367 10 0 BIAERO CC[C@H](C)[C@@H](c1ccccc1)[C@H]([NH3+])C1=CCCC1 ZINC000050327190 171381079 /nfs/dbraw/zinc/38/10/79/171381079.db2.gz GDSHKPGPCCUQLK-RRQGHBQHSA-N 1 0 243.394 4.254 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(CC)s1)C1=CCCC1 ZINC000050327894 169287908 /nfs/dbraw/zinc/28/79/08/169287908.db2.gz LRYAYZVDCHBGBA-OAHLLOKOSA-N 1 0 249.423 4.462 10 0 BIAERO CCC[NH2+][C@H](c1ccc(CC)s1)C1=CCCC1 ZINC000050327895 169276773 /nfs/dbraw/zinc/27/67/73/169276773.db2.gz LRYAYZVDCHBGBA-HNNXBMFYSA-N 1 0 249.423 4.462 10 0 BIAERO CCC[NH2+][C@H](C1=CCCC1)c1ccc(Cl)cc1 ZINC000050327979 169288505 /nfs/dbraw/zinc/28/85/05/169288505.db2.gz OANKHQDPJICOSY-OAHLLOKOSA-N 1 0 249.785 4.491 10 0 BIAERO CCC[NH2+][C@@H](C1=CCCC1)c1ccc(Cl)cc1 ZINC000050327980 169276909 /nfs/dbraw/zinc/27/69/09/169276909.db2.gz OANKHQDPJICOSY-HNNXBMFYSA-N 1 0 249.785 4.491 10 0 BIAERO CCC[NH2+][C@@H](Cc1ccccc1C)C1=CCCC1 ZINC000050328052 169278975 /nfs/dbraw/zinc/27/89/75/169278975.db2.gz AIBHWVCJLKODFC-KRWDZBQOSA-N 1 0 243.394 4.016 10 0 BIAERO CCC[NH2+][C@H](Cc1ccccc1C)C1=CCCC1 ZINC000050328053 169290025 /nfs/dbraw/zinc/29/00/25/169290025.db2.gz AIBHWVCJLKODFC-QGZVFWFLSA-N 1 0 243.394 4.016 10 0 BIAERO Cc1cccc([C@H]([NH3+])C2=CCCCCC2)c1C ZINC000050328252 179200550 /nfs/dbraw/zinc/20/05/50/179200550.db2.gz LVVIXCUCNGHIGI-MRXNPFEDSA-N 1 0 229.367 4.194 10 0 BIAERO Cc1cccc([C@@H]([NH3+])C2=CCCCCC2)c1C ZINC000050328253 179185229 /nfs/dbraw/zinc/18/52/29/179185229.db2.gz LVVIXCUCNGHIGI-INIZCTEOSA-N 1 0 229.367 4.194 10 0 BIAERO CC(C)(c1ccccc1)[C@@H]([NH3+])C1=CCCCCC1 ZINC000050328321 188086800 /nfs/dbraw/zinc/08/68/00/188086800.db2.gz RAWZJSHTAYONOB-INIZCTEOSA-N 1 0 243.394 4.182 10 0 BIAERO CC[NH2+][C@@H](c1cccc(F)c1)C1=CCCCCC1 ZINC000050328642 170161000 /nfs/dbraw/zinc/16/10/00/170161000.db2.gz AUEQKPPFJRVKRU-MRXNPFEDSA-N 1 0 247.357 4.367 10 0 BIAERO CC[NH2+][C@H](c1cccc(F)c1)C1=CCCCCC1 ZINC000050328643 170142902 /nfs/dbraw/zinc/14/29/02/170142902.db2.gz AUEQKPPFJRVKRU-INIZCTEOSA-N 1 0 247.357 4.367 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000050400238 169379012 /nfs/dbraw/zinc/37/90/12/169379012.db2.gz WXZSAWFLDAAOST-CMPLNLGQSA-N 1 0 241.325 4.194 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000050400244 169380129 /nfs/dbraw/zinc/38/01/29/169380129.db2.gz WXZSAWFLDAAOST-ZYHUDNBSSA-N 1 0 241.325 4.194 10 0 BIAERO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000050400246 188125946 /nfs/dbraw/zinc/12/59/46/188125946.db2.gz WXZSAWFLDAAOST-PWSUYJOCSA-N 1 0 241.325 4.194 10 0 BIAERO CCC[C@@H](CC)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000050401647 169378878 /nfs/dbraw/zinc/37/88/78/169378878.db2.gz WJRIGRFKFFWMGT-AQFXKWCLSA-N 1 0 245.410 4.409 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000050402168 384696625 /nfs/dbraw/zinc/69/66/25/384696625.db2.gz YFASUDVUAGYYRL-DZGCQCFKSA-N 1 0 219.372 4.224 10 0 BIAERO CCC[C@H](CC)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000050402170 384696614 /nfs/dbraw/zinc/69/66/14/384696614.db2.gz YFASUDVUAGYYRL-ZFWWWQNUSA-N 1 0 219.372 4.224 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@H](C)c1cccc(C)c1 ZINC000050402172 322850093 /nfs/dbraw/zinc/85/00/93/322850093.db2.gz YFASUDVUAGYYRL-UKRRQHHQSA-N 1 0 219.372 4.224 10 0 BIAERO CCC[C@H](CC)[NH2+][C@H](C)c1cccc(C)c1 ZINC000050402174 322849973 /nfs/dbraw/zinc/84/99/73/322849973.db2.gz YFASUDVUAGYYRL-HIFRSBDPSA-N 1 0 219.372 4.224 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000050402289 169379090 /nfs/dbraw/zinc/37/90/90/169379090.db2.gz LPFFGUJROOEIBB-UONOGXRCSA-N 1 0 249.398 4.233 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000050402293 169380788 /nfs/dbraw/zinc/38/07/88/169380788.db2.gz LPFFGUJROOEIBB-ZIAGYGMSSA-N 1 0 249.398 4.233 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000050402341 169379401 /nfs/dbraw/zinc/37/94/01/169379401.db2.gz LJEDLLDDTWOOJE-LSDHHAIUSA-N 1 0 248.414 4.236 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@H](C)c1c(C)cc(C)nc1C ZINC000050402344 169380254 /nfs/dbraw/zinc/38/02/54/169380254.db2.gz LJEDLLDDTWOOJE-HUUCEWRRSA-N 1 0 248.414 4.236 10 0 BIAERO CC[NH2+][C@H](CC)c1ccccc1OC[C@H](C)CC ZINC000050423734 170161739 /nfs/dbraw/zinc/16/17/39/170161739.db2.gz DEFLOBAAWCUMRV-UKRRQHHQSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](CC)c1ccccc1OC[C@@H](C)CC ZINC000050423735 170161830 /nfs/dbraw/zinc/16/18/30/170161830.db2.gz DEFLOBAAWCUMRV-DZGCQCFKSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@@H](CC)c1ccccc1OC[C@H](C)CC ZINC000050423737 170144386 /nfs/dbraw/zinc/14/43/86/170144386.db2.gz DEFLOBAAWCUMRV-HIFRSBDPSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@@H](CC)c1ccccc1OC[C@@H](C)CC ZINC000050423738 170144276 /nfs/dbraw/zinc/14/42/76/170144276.db2.gz DEFLOBAAWCUMRV-ZFWWWQNUSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](CC)c1ccc(OC[C@H](C)CC)cc1 ZINC000050423840 170161806 /nfs/dbraw/zinc/16/18/06/170161806.db2.gz BVAPYVBYCKCQRD-CZUORRHYSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](CC)c1ccc(OC[C@@H](C)CC)cc1 ZINC000050423842 170161657 /nfs/dbraw/zinc/16/16/57/170161657.db2.gz BVAPYVBYCKCQRD-XJKSGUPXSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@@H](CC)c1ccc(OC[C@H](C)CC)cc1 ZINC000050423843 170144310 /nfs/dbraw/zinc/14/43/10/170144310.db2.gz BVAPYVBYCKCQRD-CJNGLKHVSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@@H](CC)c1ccc(OC[C@@H](C)CC)cc1 ZINC000050423845 170144073 /nfs/dbraw/zinc/14/40/73/170144073.db2.gz BVAPYVBYCKCQRD-BBRMVZONSA-N 1 0 249.398 4.172 10 0 BIAERO Cc1cc(F)ccc1C[NH2+][C@@H](C)c1cccs1 ZINC000050569231 357711770 /nfs/dbraw/zinc/71/17/70/357711770.db2.gz GBRMFUCAWNAKEZ-NSHDSACASA-N 1 0 249.354 4.046 10 0 BIAERO Cc1cc(F)ccc1C[NH2+][C@H](C)c1cccs1 ZINC000050569232 357711937 /nfs/dbraw/zinc/71/19/37/357711937.db2.gz GBRMFUCAWNAKEZ-LLVKDONJSA-N 1 0 249.354 4.046 10 0 BIAERO CCCNc1cc[nH+]c2c1cccc2C(C)C ZINC000050844014 169295951 /nfs/dbraw/zinc/29/59/51/169295951.db2.gz HWHJVKATDHSFPK-UHFFFAOYSA-N 1 0 228.339 4.180 10 0 BIAERO CCC[C@@H](C)COc1ccccc1[C@@H](CC)[NH2+]C ZINC000051297406 169361283 /nfs/dbraw/zinc/36/12/83/169361283.db2.gz JCHCZAUMSVKREE-UKRRQHHQSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[C@@H](C)COc1ccccc1[C@H](CC)[NH2+]C ZINC000051297410 169361221 /nfs/dbraw/zinc/36/12/21/169361221.db2.gz JCHCZAUMSVKREE-HIFRSBDPSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[C@@H](C)COc1cccc([C@@H](C)[NH2+]CC)c1 ZINC000051297470 169361523 /nfs/dbraw/zinc/36/15/23/169361523.db2.gz FUUPAXSPVJQACT-ZIAGYGMSSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[C@@H](C)COc1cccc([C@H](C)[NH2+]CC)c1 ZINC000051297473 169361581 /nfs/dbraw/zinc/36/15/81/169361581.db2.gz FUUPAXSPVJQACT-KGLIPLIRSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[C@H](C)COc1cccc([C@H](C)[NH2+]CC)c1 ZINC000051297475 169483949 /nfs/dbraw/zinc/48/39/49/169483949.db2.gz FUUPAXSPVJQACT-KBPBESRZSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](c1cc(C)ccc1OCC)C(C)C ZINC000051599825 169279629 /nfs/dbraw/zinc/27/96/29/169279629.db2.gz YBJHDXSHEMNVRL-MRXNPFEDSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@H](c1cc(C)ccc1OCC)C(C)C ZINC000051599827 169289558 /nfs/dbraw/zinc/28/95/58/169289558.db2.gz YBJHDXSHEMNVRL-INIZCTEOSA-N 1 0 249.398 4.090 10 0 BIAERO CCC(CC)C[NH2+][C@@H](CC)c1ccccc1 ZINC000051626217 168363290 /nfs/dbraw/zinc/36/32/90/168363290.db2.gz JPXISQQNWSLJHP-HNNXBMFYSA-N 1 0 219.372 4.164 10 0 BIAERO CCC[C@@H](C)C[NH2+][C@@H](CC)c1ccccc1 ZINC000051626604 169360117 /nfs/dbraw/zinc/36/01/17/169360117.db2.gz OCJSHILAYWDHCE-HIFRSBDPSA-N 1 0 219.372 4.164 10 0 BIAERO CCc1ccc(C[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000051721659 322851485 /nfs/dbraw/zinc/85/14/85/322851485.db2.gz AYUMRXOAUVYEFP-ZDUSSCGKSA-N 1 0 243.350 4.001 10 0 BIAERO CCc1ccc(C[NH2+][C@H](C)c2ccccc2C)o1 ZINC000051721662 384703915 /nfs/dbraw/zinc/70/39/15/384703915.db2.gz AYUMRXOAUVYEFP-CYBMUJFWSA-N 1 0 243.350 4.001 10 0 BIAERO CCC1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000051790219 322853418 /nfs/dbraw/zinc/85/34/18/322853418.db2.gz KURIMHARNUKAAJ-RMKNXTFCSA-N 1 0 243.394 4.258 10 0 BIAERO CCCCCC[C@@H](C)OC(C)(C)C[NH2+]CCC ZINC000051957870 168673716 /nfs/dbraw/zinc/67/37/16/168673716.db2.gz SEEHZWMREOUCJY-CQSZACIVSA-N 1 0 243.435 4.140 10 0 BIAERO CCCCCC[C@@H](C)O[C@@](C)(CC)C[NH2+]CC ZINC000051959287 168674178 /nfs/dbraw/zinc/67/41/78/168674178.db2.gz XNZVBPDSKXROTN-CABCVRRESA-N 1 0 243.435 4.140 10 0 BIAERO CCCCCC[C@H](C)O[C@@](C)(CC)C[NH2+]CC ZINC000051959289 168678917 /nfs/dbraw/zinc/67/89/17/168678917.db2.gz XNZVBPDSKXROTN-GJZGRUSLSA-N 1 0 243.435 4.140 10 0 BIAERO CC(C)C[C@H]1[NH2+]CCc2c3ccccc3ccc21 ZINC000052095745 188126516 /nfs/dbraw/zinc/12/65/16/188126516.db2.gz WNFOHYKGNOPMJQ-QGZVFWFLSA-N 1 0 239.362 4.073 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1cc(F)ccc1C ZINC000052139763 169276819 /nfs/dbraw/zinc/27/68/19/169276819.db2.gz GWZPHEPBZGVJIM-HNNXBMFYSA-N 1 0 237.362 4.221 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1cc(F)ccc1C ZINC000052139766 169288606 /nfs/dbraw/zinc/28/86/06/169288606.db2.gz GWZPHEPBZGVJIM-OAHLLOKOSA-N 1 0 237.362 4.221 10 0 BIAERO CCCCC[C@H]([NH2+]C1CCC1)c1ccccc1 ZINC000052208319 168744961 /nfs/dbraw/zinc/74/49/61/168744961.db2.gz QEVSFKPEPUQFQT-INIZCTEOSA-N 1 0 231.383 4.450 10 0 BIAERO C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000052231865 173458151 /nfs/dbraw/zinc/45/81/51/173458151.db2.gz VISUOPYUFHQTFP-LLVKDONJSA-N 1 0 245.288 4.012 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(C)c(F)c1)C(C)(C)C ZINC000052232062 169278836 /nfs/dbraw/zinc/27/88/36/169278836.db2.gz CIFRQUYZMAUBJC-AWEZNQCLSA-N 1 0 237.362 4.221 10 0 BIAERO CCC[NH2+][C@H](c1ccc(C)c(F)c1)C(C)(C)C ZINC000052232065 169289869 /nfs/dbraw/zinc/28/98/69/169289869.db2.gz CIFRQUYZMAUBJC-CQSZACIVSA-N 1 0 237.362 4.221 10 0 BIAERO CCC[NH2+][C@@H](c1cc(F)ccc1C)C(C)(C)C ZINC000052232364 169279538 /nfs/dbraw/zinc/27/95/38/169279538.db2.gz YAOVCEUGQVGWEC-AWEZNQCLSA-N 1 0 237.362 4.221 10 0 BIAERO CCC[NH2+][C@H](c1cc(F)ccc1C)C(C)(C)C ZINC000052232367 169290122 /nfs/dbraw/zinc/29/01/22/169290122.db2.gz YAOVCEUGQVGWEC-CQSZACIVSA-N 1 0 237.362 4.221 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(Cl)ccc1Cl ZINC000052270249 322852884 /nfs/dbraw/zinc/85/28/84/322852884.db2.gz SPQUICLPKUBMHE-RGNHYFCHSA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000052270252 322852731 /nfs/dbraw/zinc/85/27/31/322852731.db2.gz SPQUICLPKUBMHE-YVZVNANGSA-N 1 0 244.165 4.052 10 0 BIAERO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000052270372 171744961 /nfs/dbraw/zinc/74/49/61/171744961.db2.gz LUUUMNXALLWQOJ-MJVIPROJSA-N 1 0 243.350 4.054 10 0 BIAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000052271177 322853028 /nfs/dbraw/zinc/85/30/28/322853028.db2.gz QODZTECKWSGUIT-UBJUHAIHSA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000052271183 322852994 /nfs/dbraw/zinc/85/29/94/322852994.db2.gz QODZTECKWSGUIT-YVZVNANGSA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000052271807 384713955 /nfs/dbraw/zinc/71/39/55/384713955.db2.gz DWESSORVWKZCGC-LWINAJNOSA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000052271809 384712387 /nfs/dbraw/zinc/71/23/87/384712387.db2.gz DWESSORVWKZCGC-UBJUHAIHSA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000052271811 322852979 /nfs/dbraw/zinc/85/29/79/322852979.db2.gz DWESSORVWKZCGC-RGNHYFCHSA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000052271813 322853007 /nfs/dbraw/zinc/85/30/07/322853007.db2.gz DWESSORVWKZCGC-YVZVNANGSA-N 1 0 244.165 4.052 10 0 BIAERO CCCCCC[C@@H](C)O[C@@H](CC)C[NH2+]C(C)C ZINC000052630769 168674551 /nfs/dbraw/zinc/67/45/51/168674551.db2.gz XGMARLAFRDINLN-CABCVRRESA-N 1 0 243.435 4.139 10 0 BIAERO CCCCCC[C@@H](C)O[C@H](CC)C[NH2+]C(C)C ZINC000052630771 168674253 /nfs/dbraw/zinc/67/42/53/168674253.db2.gz XGMARLAFRDINLN-HUUCEWRRSA-N 1 0 243.435 4.139 10 0 BIAERO CCCCCC[C@H](C)O[C@H](CC)C[NH2+]C(C)C ZINC000052630772 168679261 /nfs/dbraw/zinc/67/92/61/168679261.db2.gz XGMARLAFRDINLN-LSDHHAIUSA-N 1 0 243.435 4.139 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccccc2F)cc1 ZINC000052887761 170140988 /nfs/dbraw/zinc/14/09/88/170140988.db2.gz QZXYFEURFCIJKY-LBPRGKRZSA-N 1 0 243.325 4.163 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(-c2ccccc2F)cc1 ZINC000052887762 170159064 /nfs/dbraw/zinc/15/90/64/170159064.db2.gz QZXYFEURFCIJKY-GFCCVEGCSA-N 1 0 243.325 4.163 10 0 BIAERO CCC[NH2+][C@H](C)c1ccc(-c2ccccc2F)o1 ZINC000052924186 169287034 /nfs/dbraw/zinc/28/70/34/169287034.db2.gz JRAUVGAOWDUATK-LLVKDONJSA-N 1 0 247.313 4.146 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(CC)cc2)o1 ZINC000052924201 170159269 /nfs/dbraw/zinc/15/92/69/170159269.db2.gz XILDEDJFBMGUIO-GFCCVEGCSA-N 1 0 243.350 4.180 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(CC)cc2)o1 ZINC000052924202 170141423 /nfs/dbraw/zinc/14/14/23/170141423.db2.gz XILDEDJFBMGUIO-LBPRGKRZSA-N 1 0 243.350 4.180 10 0 BIAERO CCC[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)o1 ZINC000052924221 169275740 /nfs/dbraw/zinc/27/57/40/169275740.db2.gz YDLCAYAFOORWKT-NSHDSACASA-N 1 0 247.313 4.146 10 0 BIAERO CCC[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)o1 ZINC000052924222 169286951 /nfs/dbraw/zinc/28/69/51/169286951.db2.gz YDLCAYAFOORWKT-LLVKDONJSA-N 1 0 247.313 4.146 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(C)cc2C)o1 ZINC000052924271 170140818 /nfs/dbraw/zinc/14/08/18/170140818.db2.gz YIHNBXVRRXVPMU-ZDUSSCGKSA-N 1 0 243.350 4.234 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(C)cc2C)o1 ZINC000052924272 170159192 /nfs/dbraw/zinc/15/91/92/170159192.db2.gz YIHNBXVRRXVPMU-CYBMUJFWSA-N 1 0 243.350 4.234 10 0 BIAERO CC[NH2+][C@@H](C)c1ccc(-c2cc(C)ccc2C)o1 ZINC000052924289 170141317 /nfs/dbraw/zinc/14/13/17/170141317.db2.gz QUQALPPTIHULSM-ZDUSSCGKSA-N 1 0 243.350 4.234 10 0 BIAERO CC[NH2+][C@H](C)c1ccc(-c2cc(C)ccc2C)o1 ZINC000052924290 170158903 /nfs/dbraw/zinc/15/89/03/170158903.db2.gz QUQALPPTIHULSM-CYBMUJFWSA-N 1 0 243.350 4.234 10 0 BIAERO CC(C)C[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000052946829 188483101 /nfs/dbraw/zinc/48/31/01/188483101.db2.gz KPMVTGINEIFCLA-AWEZNQCLSA-N 1 0 241.378 4.003 10 0 BIAERO CC(C)C[C@@H](C[NH3+])Cc1cccc2ccccc21 ZINC000052946830 187954199 /nfs/dbraw/zinc/95/41/99/187954199.db2.gz KPMVTGINEIFCLA-CQSZACIVSA-N 1 0 241.378 4.003 10 0 BIAERO CCC[NH2+]C[C@@H](C)Cc1cccc2ccccc21 ZINC000052965594 169261671 /nfs/dbraw/zinc/26/16/71/169261671.db2.gz OBNJQMCZJSMSIQ-AWEZNQCLSA-N 1 0 241.378 4.018 10 0 BIAERO CCC[NH2+]C[C@H](C)Cc1cccc2ccccc21 ZINC000052965596 169263746 /nfs/dbraw/zinc/26/37/46/169263746.db2.gz OBNJQMCZJSMSIQ-CQSZACIVSA-N 1 0 241.378 4.018 10 0 BIAERO CCC[C@H](C[NH2+]C1CC1)Cc1cc(C)ccc1C ZINC000052970514 169498839 /nfs/dbraw/zinc/49/88/39/169498839.db2.gz HTQNSLXFOCLMHK-HNNXBMFYSA-N 1 0 245.410 4.014 10 0 BIAERO CCC[C@@H](C[NH2+]C1CC1)Cc1cc(C)ccc1C ZINC000052970517 169384999 /nfs/dbraw/zinc/38/49/99/169384999.db2.gz HTQNSLXFOCLMHK-OAHLLOKOSA-N 1 0 245.410 4.014 10 0 BIAERO CCCC[C@H](Cc1cc(C)ccc1C)[NH2+]CC ZINC000053144374 169005648 /nfs/dbraw/zinc/00/56/48/169005648.db2.gz KCUUCCCNBUXLFB-MRXNPFEDSA-N 1 0 233.399 4.014 10 0 BIAERO CCC[C@@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149467 169360024 /nfs/dbraw/zinc/36/00/24/169360024.db2.gz MIGMILSHQRJIRH-SNVBAGLBSA-N 1 0 243.753 4.005 10 0 BIAERO CCC(CC)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053155440 168361262 /nfs/dbraw/zinc/36/12/62/168361262.db2.gz NAXCYFLHQGFSRH-UHFFFAOYSA-N 1 0 243.753 4.005 10 0 BIAERO Clc1cc(Cl)cc([C@@H]2CCCCC[NH2+]2)c1 ZINC000053297968 633234352 /nfs/dbraw/zinc/23/43/52/633234352.db2.gz BOKAVRMRNLGWCS-LBPRGKRZSA-N 1 0 244.165 4.198 10 0 BIAERO Clc1cc(Cl)cc([C@H]2CCCCC[NH2+]2)c1 ZINC000053297969 633233873 /nfs/dbraw/zinc/23/38/73/633233873.db2.gz BOKAVRMRNLGWCS-GFCCVEGCSA-N 1 0 244.165 4.198 10 0 BIAERO CC(C)c1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000053298232 634144188 /nfs/dbraw/zinc/14/41/88/634144188.db2.gz ZMCZVXVMAZSFPQ-HNNXBMFYSA-N 1 0 217.356 4.015 10 0 BIAERO CC(C)c1ccc([C@H]2CCCCC[NH2+]2)cc1 ZINC000053298235 634144120 /nfs/dbraw/zinc/14/41/20/634144120.db2.gz ZMCZVXVMAZSFPQ-OAHLLOKOSA-N 1 0 217.356 4.015 10 0 BIAERO Cc1ccc(C)c([C@H]([NH3+])[C@@H]2CCC[C@H](C)C2)c1 ZINC000053303427 178502855 /nfs/dbraw/zinc/50/28/55/178502855.db2.gz RJXDDSGERVHVFL-SGIREYDYSA-N 1 0 231.383 4.130 10 0 BIAERO Cc1ccc([C@H]([NH3+])[C@@H]2CCC[C@H](C)C2)cc1C ZINC000053327542 178908733 /nfs/dbraw/zinc/90/87/33/178908733.db2.gz OMWDYCABQHKBMR-SGIREYDYSA-N 1 0 231.383 4.130 10 0 BIAERO CC[NH2+][C@@H](c1cccc(C)c1C)C1CCCC1 ZINC000053329991 170148238 /nfs/dbraw/zinc/14/82/38/170148238.db2.gz OONRBBQVDLNHMN-MRXNPFEDSA-N 1 0 231.383 4.144 10 0 BIAERO CC[NH2+][C@H](c1cccc(C)c1C)C1CCCC1 ZINC000053329992 170164452 /nfs/dbraw/zinc/16/44/52/170164452.db2.gz OONRBBQVDLNHMN-INIZCTEOSA-N 1 0 231.383 4.144 10 0 BIAERO CCCCCC[C@@H](C)OCC[NH2+]C(C)(C)CC ZINC000053569511 168674728 /nfs/dbraw/zinc/67/47/28/168674728.db2.gz BQFVYPRJCBXKBX-CQSZACIVSA-N 1 0 243.435 4.140 10 0 BIAERO CC(C)c1ccc(S[C@@H](C)C[NH2+]C2CC2)cc1 ZINC000053606175 167610215 /nfs/dbraw/zinc/61/02/15/167610215.db2.gz DXOCJWWOVAKHTH-LBPRGKRZSA-N 1 0 249.423 4.043 10 0 BIAERO C[NH2+][C@H](c1cc(C)oc1C)C1CCCCCC1 ZINC000053714430 173455917 /nfs/dbraw/zinc/45/59/17/173455917.db2.gz KLVZMZWZEQTRLK-HNNXBMFYSA-N 1 0 235.371 4.127 10 0 BIAERO c1ccc(C2(C[NH2+]C3CC3)CCCCCC2)cc1 ZINC000053737658 183387930 /nfs/dbraw/zinc/38/79/30/183387930.db2.gz YKJMBTUACQHCNU-UHFFFAOYSA-N 1 0 243.394 4.031 10 0 BIAERO CCCC(CCC)(C[NH2+]C)c1ccccc1C ZINC000053738012 168578904 /nfs/dbraw/zinc/57/89/04/168578904.db2.gz PUHAFCIHBINMIB-UHFFFAOYSA-N 1 0 233.399 4.052 10 0 BIAERO Cc1ccccc1C1(C[NH2+]C(C)(C)C)CCCC1 ZINC000053738074 179255266 /nfs/dbraw/zinc/25/52/66/179255266.db2.gz BXSVQASZHLEELI-UHFFFAOYSA-N 1 0 245.410 4.195 10 0 BIAERO CCC[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000053738384 169256702 /nfs/dbraw/zinc/25/67/02/169256702.db2.gz OBAIUEOZDIPUML-UHFFFAOYSA-N 1 0 249.373 4.027 10 0 BIAERO CC(C)[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000053738391 167099844 /nfs/dbraw/zinc/09/98/44/167099844.db2.gz NGIDXQXVHRGVPH-UHFFFAOYSA-N 1 0 249.373 4.026 10 0 BIAERO CCC[NH2+]CC1(c2ccccc2F)CCCCC1 ZINC000053738616 169257242 /nfs/dbraw/zinc/25/72/42/169257242.db2.gz HZSDVAJCXMNBQD-UHFFFAOYSA-N 1 0 249.373 4.027 10 0 BIAERO CC(C)[NH2+]CC1(c2ccccc2F)CCCCC1 ZINC000053738623 167098885 /nfs/dbraw/zinc/09/88/85/167098885.db2.gz BRWJFKALICAGBR-UHFFFAOYSA-N 1 0 249.373 4.026 10 0 BIAERO CC[NH2+]CC1(c2cccc(F)c2)CCCCCC1 ZINC000053738808 170110561 /nfs/dbraw/zinc/11/05/61/170110561.db2.gz UUETUSCTARPYKT-UHFFFAOYSA-N 1 0 249.373 4.027 10 0 BIAERO CCC(CC)(C[NH2+]C(C)C)c1ccc(C)cc1 ZINC000053739400 168325388 /nfs/dbraw/zinc/32/53/88/168325388.db2.gz RXNQREYUTYTOAZ-UHFFFAOYSA-N 1 0 233.399 4.051 10 0 BIAERO CCC(CC)(C[NH2+]C(C)C)c1cccc(C)c1 ZINC000053739475 168326060 /nfs/dbraw/zinc/32/60/60/168326060.db2.gz CMNAKPACJGHJSP-UHFFFAOYSA-N 1 0 233.399 4.051 10 0 BIAERO CCC(CC)(C[NH2+]C)c1ccc(C(C)C)cc1 ZINC000053739669 168326103 /nfs/dbraw/zinc/32/61/03/168326103.db2.gz DLVLSSVWRGOAHV-UHFFFAOYSA-N 1 0 233.399 4.087 10 0 BIAERO CCC[NH2+]CC(C)(C)c1ccc(C(C)C)cc1 ZINC000053739681 169257200 /nfs/dbraw/zinc/25/72/00/169257200.db2.gz OZAURLXPDBAKMV-UHFFFAOYSA-N 1 0 233.399 4.087 10 0 BIAERO CC(C)C[NH2+]CC1(c2ccc(C(C)C)cc2)CC1 ZINC000053739696 167003181 /nfs/dbraw/zinc/00/31/81/167003181.db2.gz GSUAMOVBCAIHNJ-UHFFFAOYSA-N 1 0 245.410 4.087 10 0 BIAERO [NH3+]C1(CCCc2ccccc2)CCCCCC1 ZINC000053752863 181330824 /nfs/dbraw/zinc/33/08/24/181330824.db2.gz BOQGABIEGNYDCX-UHFFFAOYSA-N 1 0 231.383 4.061 10 0 BIAERO Cc1ccc([C@@](C)([NH3+])CC2CCCC2)cc1C ZINC000053761523 178879914 /nfs/dbraw/zinc/87/99/14/178879914.db2.gz QVHXAVBDZXQKRB-INIZCTEOSA-N 1 0 231.383 4.058 10 0 BIAERO CCCCC[C@@](C)([NH3+])c1cc(C)ccc1C ZINC000053761613 168741819 /nfs/dbraw/zinc/74/18/19/168741819.db2.gz NYVGBPNSEAHWPP-OAHLLOKOSA-N 1 0 219.372 4.058 10 0 BIAERO CCC[C@@H](C)C[C@H]([NH2+]CC)c1ccccc1OC ZINC000053788297 169361957 /nfs/dbraw/zinc/36/19/57/169361957.db2.gz MSGSTPVIYLLCEN-HIFRSBDPSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[C@@H](C)C[C@@H]([NH2+]CC)c1ccccc1OC ZINC000053788299 169361681 /nfs/dbraw/zinc/36/16/81/169361681.db2.gz MSGSTPVIYLLCEN-UKRRQHHQSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@@H](CCC(C)(C)C)c1ccccc1OC ZINC000053788327 170144617 /nfs/dbraw/zinc/14/46/17/170144617.db2.gz GEJBZLBKMGJBCS-AWEZNQCLSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](CCC(C)(C)C)c1ccccc1OC ZINC000053788328 170161988 /nfs/dbraw/zinc/16/19/88/170161988.db2.gz GEJBZLBKMGJBCS-CQSZACIVSA-N 1 0 249.398 4.172 10 0 BIAERO CCCC[C@H]([NH2+]CCC)c1cccc(OCC)c1 ZINC000053789041 169012050 /nfs/dbraw/zinc/01/20/50/169012050.db2.gz ZUIXMGODCFIXFA-INIZCTEOSA-N 1 0 249.398 4.316 10 0 BIAERO CCCC[C@@H]([NH2+]CCC)c1cccc(OCC)c1 ZINC000053789042 168973668 /nfs/dbraw/zinc/97/36/68/168973668.db2.gz ZUIXMGODCFIXFA-MRXNPFEDSA-N 1 0 249.398 4.316 10 0 BIAERO CCCCCC[C@H]([NH2+]C)c1ccc(F)cc1 ZINC000053789421 357178095 /nfs/dbraw/zinc/17/80/95/357178095.db2.gz AJMWUGOGPRYASS-AWEZNQCLSA-N 1 0 223.335 4.057 10 0 BIAERO CCCCCC[C@@H]([NH2+]C)c1ccc(F)cc1 ZINC000053789422 357178046 /nfs/dbraw/zinc/17/80/46/357178046.db2.gz AJMWUGOGPRYASS-CQSZACIVSA-N 1 0 223.335 4.057 10 0 BIAERO CC[NH2+][C@@H](CCC(C)(C)C)c1ccc(F)cc1 ZINC000053789612 170145306 /nfs/dbraw/zinc/14/53/06/170145306.db2.gz PSCYWFWUUNQHPL-AWEZNQCLSA-N 1 0 237.362 4.303 10 0 BIAERO CC[NH2+][C@H](CCC(C)(C)C)c1ccc(F)cc1 ZINC000053789614 170161901 /nfs/dbraw/zinc/16/19/01/170161901.db2.gz PSCYWFWUUNQHPL-CQSZACIVSA-N 1 0 237.362 4.303 10 0 BIAERO CC[NH2+][C@@H](CC1CCCC1)c1cccc(F)c1 ZINC000053790016 170144086 /nfs/dbraw/zinc/14/40/86/170144086.db2.gz GLKFXZVJWKFSKD-HNNXBMFYSA-N 1 0 235.346 4.057 10 0 BIAERO CC[NH2+][C@H](CC1CCCC1)c1cccc(F)c1 ZINC000053790018 170161882 /nfs/dbraw/zinc/16/18/82/170161882.db2.gz GLKFXZVJWKFSKD-OAHLLOKOSA-N 1 0 235.346 4.057 10 0 BIAERO CC[NH2+][C@@H](CCC(C)(C)C)c1cccc(F)c1 ZINC000053790056 170145555 /nfs/dbraw/zinc/14/55/55/170145555.db2.gz SVMPJYZFZZGFHF-AWEZNQCLSA-N 1 0 237.362 4.303 10 0 BIAERO CC[NH2+][C@H](CCC(C)(C)C)c1cccc(F)c1 ZINC000053790058 170161286 /nfs/dbraw/zinc/16/12/86/170161286.db2.gz SVMPJYZFZZGFHF-CQSZACIVSA-N 1 0 237.362 4.303 10 0 BIAERO CC(C)c1ccc(C[C@@H]([NH3+])c2ccsc2)cc1 ZINC000053817273 167601422 /nfs/dbraw/zinc/60/14/22/167601422.db2.gz ICOZCKSHMOTOAN-OAHLLOKOSA-N 1 0 245.391 4.114 10 0 BIAERO C[NH2+][C@@H](CCC(C)(C)C)c1ccc(F)c(F)c1 ZINC000053823185 173423051 /nfs/dbraw/zinc/42/30/51/173423051.db2.gz HABMJIQDSRIKIF-ZDUSSCGKSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](CC1CCCC1)c1ccccc1C ZINC000053826167 170143957 /nfs/dbraw/zinc/14/39/57/170143957.db2.gz SGHNLLKDISGMGY-INIZCTEOSA-N 1 0 231.383 4.226 10 0 BIAERO CCC[NH2+][C@@H](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000053828111 169278888 /nfs/dbraw/zinc/27/88/88/169278888.db2.gz ATIWUYPIMZASDL-KRWDZBQOSA-N 1 0 245.410 4.131 10 0 BIAERO CCC[NH2+][C@H](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000053828112 169289500 /nfs/dbraw/zinc/28/95/00/169289500.db2.gz ATIWUYPIMZASDL-QGZVFWFLSA-N 1 0 245.410 4.131 10 0 BIAERO CCC[C@@H](C)C[C@H]([NH2+]C)c1ccc(F)c(C)c1 ZINC000053829712 169361363 /nfs/dbraw/zinc/36/13/63/169361363.db2.gz WCAQISWIFXBSCX-ABAIWWIYSA-N 1 0 237.362 4.221 10 0 BIAERO CCC[C@H](C)C[C@H]([NH2+]C)c1ccc(F)c(C)c1 ZINC000053829713 169484637 /nfs/dbraw/zinc/48/46/37/169484637.db2.gz WCAQISWIFXBSCX-NHYWBVRUSA-N 1 0 237.362 4.221 10 0 BIAERO CCC[C@@H](C)C[C@@H]([NH2+]C)c1ccc(F)c(C)c1 ZINC000053829715 169361265 /nfs/dbraw/zinc/36/12/65/169361265.db2.gz WCAQISWIFXBSCX-IAQYHMDHSA-N 1 0 237.362 4.221 10 0 BIAERO CC[NH2+][C@@H](CCc1ccccc1)CC1CCCC1 ZINC000053832019 170145199 /nfs/dbraw/zinc/14/51/99/170145199.db2.gz FUYFRGOYYUEFKQ-KRWDZBQOSA-N 1 0 245.410 4.178 10 0 BIAERO CC[NH2+][C@H](CCc1ccccc1)CC1CCCC1 ZINC000053832021 170162207 /nfs/dbraw/zinc/16/22/07/170162207.db2.gz FUYFRGOYYUEFKQ-QGZVFWFLSA-N 1 0 245.410 4.178 10 0 BIAERO C[C@H]([NH2+]Cc1ccccc1Cl)C1CCCC1 ZINC000054077338 322855327 /nfs/dbraw/zinc/85/53/27/322855327.db2.gz BRMNNQZPMWQCDA-NSHDSACASA-N 1 0 237.774 4.008 10 0 BIAERO C[C@@H]([NH2+]Cc1ccccc1Cl)C1CCCC1 ZINC000054077339 322855120 /nfs/dbraw/zinc/85/51/20/322855120.db2.gz BRMNNQZPMWQCDA-LLVKDONJSA-N 1 0 237.774 4.008 10 0 BIAERO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C1CCCC1 ZINC000054077653 175925753 /nfs/dbraw/zinc/92/57/53/175925753.db2.gz HWUTYSIXZFQFNM-DYVFJYSZSA-N 1 0 243.394 4.232 10 0 BIAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C1CCCC1 ZINC000054077680 384729836 /nfs/dbraw/zinc/72/98/36/384729836.db2.gz GEMNWJVLRWZFTD-GJZGRUSLSA-N 1 0 245.410 4.176 10 0 BIAERO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)C1CCCC1 ZINC000054077681 176909545 /nfs/dbraw/zinc/90/95/45/176909545.db2.gz GEMNWJVLRWZFTD-CABCVRRESA-N 1 0 245.410 4.176 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C1CCCC1 ZINC000054077682 384730607 /nfs/dbraw/zinc/73/06/07/384730607.db2.gz GEMNWJVLRWZFTD-LSDHHAIUSA-N 1 0 245.410 4.176 10 0 BIAERO C[C@H](CCc1ccccc1)[NH2+][C@H](C)C1CCCC1 ZINC000054077683 384729687 /nfs/dbraw/zinc/72/96/87/384729687.db2.gz GEMNWJVLRWZFTD-HUUCEWRRSA-N 1 0 245.410 4.176 10 0 BIAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1cccc(F)c1 ZINC000054077769 384731458 /nfs/dbraw/zinc/73/14/58/384731458.db2.gz QXGARMFZZFUVJM-RYUDHWBXSA-N 1 0 235.346 4.055 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1cccc(F)c1 ZINC000054077770 384729384 /nfs/dbraw/zinc/72/93/84/384729384.db2.gz QXGARMFZZFUVJM-NWDGAFQWSA-N 1 0 235.346 4.055 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C1CCCC1 ZINC000054077771 384730916 /nfs/dbraw/zinc/73/09/16/384730916.db2.gz QXGARMFZZFUVJM-NEPJUHHUSA-N 1 0 235.346 4.055 10 0 BIAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1cccc(F)c1 ZINC000054077772 384730721 /nfs/dbraw/zinc/73/07/21/384730721.db2.gz QXGARMFZZFUVJM-VXGBXAGGSA-N 1 0 235.346 4.055 10 0 BIAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1)C1CCCC1 ZINC000054077960 384730316 /nfs/dbraw/zinc/73/03/16/384730316.db2.gz PFWXNWCXYKFXQQ-NSHDSACASA-N 1 0 237.774 4.008 10 0 BIAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C1CCCC1 ZINC000054077961 322855512 /nfs/dbraw/zinc/85/55/12/322855512.db2.gz PFWXNWCXYKFXQQ-LLVKDONJSA-N 1 0 237.774 4.008 10 0 BIAERO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054080652 179288559 /nfs/dbraw/zinc/28/85/59/179288559.db2.gz UCYMWDVXHDFLEV-CABCVRRESA-N 1 0 245.410 4.094 10 0 BIAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054080654 179291179 /nfs/dbraw/zinc/29/11/79/179291179.db2.gz UCYMWDVXHDFLEV-GJZGRUSLSA-N 1 0 245.410 4.094 10 0 BIAERO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054080656 179289185 /nfs/dbraw/zinc/28/91/85/179289185.db2.gz UCYMWDVXHDFLEV-HUUCEWRRSA-N 1 0 245.410 4.094 10 0 BIAERO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054080657 179291248 /nfs/dbraw/zinc/29/12/48/179291248.db2.gz UCYMWDVXHDFLEV-LSDHHAIUSA-N 1 0 245.410 4.094 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)C1CCCC1)c1cccs1 ZINC000054081208 384731649 /nfs/dbraw/zinc/73/16/49/384731649.db2.gz VRHNOKNSAJQYRR-AAEUAGOBSA-N 1 0 237.412 4.368 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)C1CCCC1)c1cccs1 ZINC000054081211 322855816 /nfs/dbraw/zinc/85/58/16/322855816.db2.gz VRHNOKNSAJQYRR-WCQYABFASA-N 1 0 237.412 4.368 10 0 BIAERO CC[C@H]([NH2+][C@H](C)C1CCCC1)c1cccs1 ZINC000054081212 322855785 /nfs/dbraw/zinc/85/57/85/322855785.db2.gz VRHNOKNSAJQYRR-YPMHNXCESA-N 1 0 237.412 4.368 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)C1CCCC1)c1cccs1 ZINC000054081215 384729496 /nfs/dbraw/zinc/72/94/96/384729496.db2.gz VRHNOKNSAJQYRR-DGCLKSJQSA-N 1 0 237.412 4.368 10 0 BIAERO C[C@H]([NH2+]Cc1cccc(Cl)c1)C1CCCC1 ZINC000054081600 322855702 /nfs/dbraw/zinc/85/57/02/322855702.db2.gz FMFCRAYQGMABOE-NSHDSACASA-N 1 0 237.774 4.008 10 0 BIAERO C[C@@H]([NH2+]Cc1cccc(Cl)c1)C1CCCC1 ZINC000054081602 322855704 /nfs/dbraw/zinc/85/57/04/322855704.db2.gz FMFCRAYQGMABOE-LLVKDONJSA-N 1 0 237.774 4.008 10 0 BIAERO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccco1 ZINC000054106503 171528511 /nfs/dbraw/zinc/52/85/11/171528511.db2.gz NLJRZIVALQLXRO-MJBXVCDLSA-N 1 0 235.371 4.147 10 0 BIAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccc(C)cc2)o1 ZINC000054106892 170144146 /nfs/dbraw/zinc/14/41/46/170144146.db2.gz UQPDYLIMTRUHIQ-AWEZNQCLSA-N 1 0 243.350 4.316 10 0 BIAERO CC[NH2+][C@H](CC)c1ccc(-c2ccc(C)cc2)o1 ZINC000054106893 170161367 /nfs/dbraw/zinc/16/13/67/170161367.db2.gz UQPDYLIMTRUHIQ-CQSZACIVSA-N 1 0 243.350 4.316 10 0 BIAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccc(F)cc2)o1 ZINC000054107008 170144013 /nfs/dbraw/zinc/14/40/13/170144013.db2.gz CMAZVFYSDHJALW-ZDUSSCGKSA-N 1 0 247.313 4.146 10 0 BIAERO CC[NH2+][C@H](CC)c1ccc(-c2ccc(F)cc2)o1 ZINC000054107009 170161791 /nfs/dbraw/zinc/16/17/91/170161791.db2.gz CMAZVFYSDHJALW-CYBMUJFWSA-N 1 0 247.313 4.146 10 0 BIAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(F)cc2C)o1 ZINC000054107063 170889117 /nfs/dbraw/zinc/88/91/17/170889117.db2.gz DIECGFVUAHHCTP-CYBMUJFWSA-N 1 0 247.313 4.065 10 0 BIAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccccc2C)o1 ZINC000054107212 170143887 /nfs/dbraw/zinc/14/38/87/170143887.db2.gz SYGZZWVKBKRTQC-AWEZNQCLSA-N 1 0 243.350 4.316 10 0 BIAERO CC[NH2+][C@H](CC)c1ccc(-c2ccccc2C)o1 ZINC000054107213 170161700 /nfs/dbraw/zinc/16/17/00/170161700.db2.gz SYGZZWVKBKRTQC-CQSZACIVSA-N 1 0 243.350 4.316 10 0 BIAERO CCC(C)(C)[C@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000054402404 168304230 /nfs/dbraw/zinc/30/42/30/168304230.db2.gz GROIROWKIMYKKZ-OAHLLOKOSA-N 1 0 231.383 4.001 10 0 BIAERO CCC(C)(C)[C@@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000054402406 168304471 /nfs/dbraw/zinc/30/44/71/168304471.db2.gz GROIROWKIMYKKZ-HNNXBMFYSA-N 1 0 231.383 4.001 10 0 BIAERO CCC(C)(C)[C@H]([NH2+]C)c1ccc(OC(C)C)cc1 ZINC000054402713 168303763 /nfs/dbraw/zinc/30/37/63/168303763.db2.gz VZYSHCZHILEAGV-OAHLLOKOSA-N 1 0 249.398 4.171 10 0 BIAERO CCC(C)(C)[C@@H]([NH2+]C)c1ccc(OC(C)C)cc1 ZINC000054402714 168304290 /nfs/dbraw/zinc/30/42/90/168304290.db2.gz VZYSHCZHILEAGV-HNNXBMFYSA-N 1 0 249.398 4.171 10 0 BIAERO CC[NH2+][C@H](c1ccc(OC)cc1C)C(C)(C)CC ZINC000054402789 170164304 /nfs/dbraw/zinc/16/43/04/170164304.db2.gz NBUGEEHRZJUUBA-OAHLLOKOSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)C(C)(C)CC ZINC000054402790 170148025 /nfs/dbraw/zinc/14/80/25/170148025.db2.gz NBUGEEHRZJUUBA-HNNXBMFYSA-N 1 0 249.398 4.090 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)C(C)(C)CC ZINC000054402863 169280984 /nfs/dbraw/zinc/28/09/84/169280984.db2.gz MNTFEUYBXKFYRY-HNNXBMFYSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@H](c1ccc(OC)cc1)C(C)(C)CC ZINC000054402864 169289981 /nfs/dbraw/zinc/28/99/81/169289981.db2.gz MNTFEUYBXKFYRY-OAHLLOKOSA-N 1 0 249.398 4.172 10 0 BIAERO CC[NH2+][C@H](c1cc(C)ccc1OC)C(C)(C)CC ZINC000054402927 170163606 /nfs/dbraw/zinc/16/36/06/170163606.db2.gz UTAIAJBQXXUTEQ-OAHLLOKOSA-N 1 0 249.398 4.090 10 0 BIAERO CC[NH2+][C@@H](c1cc(C)ccc1OC)C(C)(C)CC ZINC000054402928 170147839 /nfs/dbraw/zinc/14/78/39/170147839.db2.gz UTAIAJBQXXUTEQ-HNNXBMFYSA-N 1 0 249.398 4.090 10 0 BIAERO CC(C)CC[C@H]([NH3+])c1cccc2ccccc21 ZINC000054438787 369071720 /nfs/dbraw/zinc/07/17/20/369071720.db2.gz XMXUYLZQGGLPAA-INIZCTEOSA-N 1 0 227.351 4.276 10 0 BIAERO CC(C)CC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000054438789 369071627 /nfs/dbraw/zinc/07/16/27/369071627.db2.gz XMXUYLZQGGLPAA-MRXNPFEDSA-N 1 0 227.351 4.276 10 0 BIAERO CCCCC[C@H]([NH3+])c1cccc2ccccc21 ZINC000054438801 369071605 /nfs/dbraw/zinc/07/16/05/369071605.db2.gz OHIXNZITTLAUGC-INIZCTEOSA-N 1 0 227.351 4.420 10 0 BIAERO CCCCC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000054438803 369071499 /nfs/dbraw/zinc/07/14/99/369071499.db2.gz OHIXNZITTLAUGC-MRXNPFEDSA-N 1 0 227.351 4.420 10 0 BIAERO CC[C@H](C)C[C@H]([NH3+])c1cccc2ccccc21 ZINC000054438960 171299596 /nfs/dbraw/zinc/29/95/96/171299596.db2.gz LBRISXOHEZYYIT-LRDDRELGSA-N 1 0 227.351 4.276 10 0 BIAERO CC[C@H](C)C[C@@H]([NH3+])c1cccc2ccccc21 ZINC000054438964 171296149 /nfs/dbraw/zinc/29/61/49/171296149.db2.gz LBRISXOHEZYYIT-BLLLJJGKSA-N 1 0 227.351 4.276 10 0 BIAERO CCCC[C@H]([NH2+]C)c1cccc2ccccc21 ZINC000054439076 169012209 /nfs/dbraw/zinc/01/22/09/169012209.db2.gz CBKPCEFNOSZRFZ-INIZCTEOSA-N 1 0 227.351 4.291 10 0 BIAERO CCC[NH2+][C@@H](CC)c1cccc2ccccc21 ZINC000054439403 169278289 /nfs/dbraw/zinc/27/82/89/169278289.db2.gz QVXLESILCXHVCG-INIZCTEOSA-N 1 0 227.351 4.291 10 0 BIAERO CCC[NH2+][C@H](CC)c1cccc2ccccc21 ZINC000054439407 169289276 /nfs/dbraw/zinc/28/92/76/169289276.db2.gz QVXLESILCXHVCG-MRXNPFEDSA-N 1 0 227.351 4.291 10 0 BIAERO CC(C)CC[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000054440289 369071393 /nfs/dbraw/zinc/07/13/93/369071393.db2.gz WPNHNGVMVDFGCM-INIZCTEOSA-N 1 0 227.351 4.276 10 0 BIAERO CC(C)CC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000054440294 369071710 /nfs/dbraw/zinc/07/17/10/369071710.db2.gz WPNHNGVMVDFGCM-MRXNPFEDSA-N 1 0 227.351 4.276 10 0 BIAERO CCCC[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000054440305 369071561 /nfs/dbraw/zinc/07/15/61/369071561.db2.gz BIFAAIMRHWKHGJ-HNNXBMFYSA-N 1 0 213.324 4.030 10 0 BIAERO CCCC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000054440308 369071359 /nfs/dbraw/zinc/07/13/59/369071359.db2.gz BIFAAIMRHWKHGJ-OAHLLOKOSA-N 1 0 213.324 4.030 10 0 BIAERO CCCCC[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000054440312 369071787 /nfs/dbraw/zinc/07/17/87/369071787.db2.gz NIXGMZZXHUNHQK-INIZCTEOSA-N 1 0 227.351 4.420 10 0 BIAERO CCCCC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000054440316 369071746 /nfs/dbraw/zinc/07/17/46/369071746.db2.gz NIXGMZZXHUNHQK-MRXNPFEDSA-N 1 0 227.351 4.420 10 0 BIAERO [NH3+][C@H](CC1CCCC1)c1ccc2ccccc2c1 ZINC000054440566 181613156 /nfs/dbraw/zinc/61/31/56/181613156.db2.gz ACHNVFILQFRHOF-QGZVFWFLSA-N 1 0 239.362 4.420 10 0 BIAERO CC[C@H](C)C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000054468223 171286496 /nfs/dbraw/zinc/28/64/96/171286496.db2.gz KPARSIXGCBOODW-AAEUAGOBSA-N 1 0 245.366 4.438 10 0 BIAERO CC[C@H](C)C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000054468227 171286971 /nfs/dbraw/zinc/28/69/71/171286971.db2.gz KPARSIXGCBOODW-WCQYABFASA-N 1 0 245.366 4.438 10 0 BIAERO CCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(C(C)C)cc1 ZINC000054593257 169262589 /nfs/dbraw/zinc/26/25/89/169262589.db2.gz CORLDPPNTPXWKB-IRXDYDNUSA-N 1 0 245.410 4.087 10 0 BIAERO CCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(C(C)C)cc1 ZINC000054593259 169264444 /nfs/dbraw/zinc/26/44/44/169264444.db2.gz CORLDPPNTPXWKB-SJORKVTESA-N 1 0 245.410 4.087 10 0 BIAERO CCC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(C(C)C)cc1 ZINC000054593261 169263111 /nfs/dbraw/zinc/26/31/11/169263111.db2.gz CORLDPPNTPXWKB-DLBZAZTESA-N 1 0 245.410 4.087 10 0 BIAERO CCC[NH2+]C[C@H]1C[C@]1(C)c1ccc(C(C)C)cc1 ZINC000054593263 169264669 /nfs/dbraw/zinc/26/46/69/169264669.db2.gz CORLDPPNTPXWKB-IAGOWNOFSA-N 1 0 245.410 4.087 10 0 BIAERO CCC[C@]1(c2ccccc2)C[C@@H]1C[NH2+]C(C)(C)C ZINC000054597139 169559834 /nfs/dbraw/zinc/55/98/34/169559834.db2.gz RNDGXVQAPXLUGI-NVXWUHKLSA-N 1 0 245.410 4.133 10 0 BIAERO CCC[C@@]1(c2ccccc2)C[C@H]1C[NH2+]C(C)(C)C ZINC000054597142 169463717 /nfs/dbraw/zinc/46/37/17/169463717.db2.gz RNDGXVQAPXLUGI-RDJZCZTQSA-N 1 0 245.410 4.133 10 0 BIAERO CC(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000054597751 167007156 /nfs/dbraw/zinc/00/71/56/167007156.db2.gz FSAVPYZFXWLESH-DLBZAZTESA-N 1 0 245.410 4.159 10 0 BIAERO CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000054597752 167008144 /nfs/dbraw/zinc/00/81/44/167008144.db2.gz FSAVPYZFXWLESH-IAGOWNOFSA-N 1 0 245.410 4.159 10 0 BIAERO CC(C)C[NH2+]C[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000054597753 167006300 /nfs/dbraw/zinc/00/63/00/167006300.db2.gz FSAVPYZFXWLESH-IRXDYDNUSA-N 1 0 245.410 4.159 10 0 BIAERO CC(C)C[NH2+]C[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000054597754 167007452 /nfs/dbraw/zinc/00/74/52/167007452.db2.gz FSAVPYZFXWLESH-SJORKVTESA-N 1 0 245.410 4.159 10 0 BIAERO CCC[NH2+]CC(C)(C)CCCc1ccccc1 ZINC000054638136 169256195 /nfs/dbraw/zinc/25/61/95/169256195.db2.gz LKMIXFFBOAMGCP-UHFFFAOYSA-N 1 0 233.399 4.035 10 0 BIAERO Cc1ccc(CC(C)(C)C[NH2+]C(C)(C)C)cc1C ZINC000054638516 178523958 /nfs/dbraw/zinc/52/39/58/178523958.db2.gz YTVUMGSMFHABDE-UHFFFAOYSA-N 1 0 247.426 4.260 10 0 BIAERO Cc1cccc(CC2(C[NH2+]C(C)C)CCCC2)c1 ZINC000054655707 179052671 /nfs/dbraw/zinc/05/26/71/179052671.db2.gz NLXZTNQEJOKKKJ-UHFFFAOYSA-N 1 0 245.410 4.096 10 0 BIAERO CCC[C@@](C)(CCCc1ccccc1)C[NH2+]C ZINC000054656479 169448649 /nfs/dbraw/zinc/44/86/49/169448649.db2.gz TUZZRQXSTOBALW-INIZCTEOSA-N 1 0 233.399 4.035 10 0 BIAERO CCC[C@@](C)(C[NH2+]C1CC1)Cc1ccc(C)cc1 ZINC000054657059 169448239 /nfs/dbraw/zinc/44/82/39/169448239.db2.gz OXVFHQHQLBODPU-QGZVFWFLSA-N 1 0 245.410 4.096 10 0 BIAERO CCC(CC)(C[NH2+]C1CC1)Cc1cccc(C)c1 ZINC000054658773 168325824 /nfs/dbraw/zinc/32/58/24/168325824.db2.gz XYQNAXRQXDZHFO-UHFFFAOYSA-N 1 0 245.410 4.096 10 0 BIAERO CC[NH2+]C[C@@](C)(CC)CCCc1ccccc1 ZINC000054660721 170121276 /nfs/dbraw/zinc/12/12/76/170121276.db2.gz IDLZHKLJJOPTEK-INIZCTEOSA-N 1 0 233.399 4.035 10 0 BIAERO CC[NH2+]C[C@](C)(CC)CCCc1ccccc1 ZINC000054660723 170123801 /nfs/dbraw/zinc/12/38/01/170123801.db2.gz IDLZHKLJJOPTEK-MRXNPFEDSA-N 1 0 233.399 4.035 10 0 BIAERO CC[C@](C)(C[NH2+]C1CC1)Cc1cc(C)ccc1C ZINC000054661388 171693255 /nfs/dbraw/zinc/69/32/55/171693255.db2.gz MAITZZODHYVGTN-KRWDZBQOSA-N 1 0 245.410 4.014 10 0 BIAERO CC[C@@](C)(C[NH2+]C1CC1)Cc1cc(C)ccc1C ZINC000054661390 171166671 /nfs/dbraw/zinc/16/66/71/171166671.db2.gz MAITZZODHYVGTN-QGZVFWFLSA-N 1 0 245.410 4.014 10 0 BIAERO CC[C@@](C)(C[NH2+]C1CC1)Cc1ccc(C)c(C)c1 ZINC000054661460 171166458 /nfs/dbraw/zinc/16/64/58/171166458.db2.gz LPRGGYDOVMMSEO-QGZVFWFLSA-N 1 0 245.410 4.014 10 0 BIAERO CC[C@@](C)(C[NH2+]C(C)(C)C)Cc1ccccc1C ZINC000054661536 171166166 /nfs/dbraw/zinc/16/61/66/171166166.db2.gz VKYFXEIFQHRKGN-QGZVFWFLSA-N 1 0 247.426 4.342 10 0 BIAERO C[C@@H]([NH3+])c1ccc(S[C@H]2CCC[C@@H](C)C2)cc1 ZINC000054691682 176146177 /nfs/dbraw/zinc/14/61/77/176146177.db2.gz PBTRRQLQZARYFK-JMSVASOKSA-N 1 0 249.423 4.377 10 0 BIAERO C[C@@H]([NH3+])c1ccc(S[C@H]2CCC[C@H](C)C2)cc1 ZINC000054691684 177139103 /nfs/dbraw/zinc/13/91/03/177139103.db2.gz PBTRRQLQZARYFK-ZOWXZIJZSA-N 1 0 249.423 4.377 10 0 BIAERO C[C@@H]([NH3+])c1ccc(S[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000054691686 176125202 /nfs/dbraw/zinc/12/52/02/176125202.db2.gz PBTRRQLQZARYFK-LALPHHSUSA-N 1 0 249.423 4.377 10 0 BIAERO C[C@@H]([NH3+])c1ccc(S[C@@H]2CCC[C@H](C)C2)cc1 ZINC000054691688 177123516 /nfs/dbraw/zinc/12/35/16/177123516.db2.gz PBTRRQLQZARYFK-YWPYICTPSA-N 1 0 249.423 4.377 10 0 BIAERO CC[C@H](C)c1ccc2c(c1)[C@@H]([NH2+]C)CCCC2 ZINC000054742763 171412599 /nfs/dbraw/zinc/41/25/99/171412599.db2.gz HOTZBTDNJNESNI-LRDDRELGSA-N 1 0 231.383 4.187 10 0 BIAERO CC1CCC([NH3+])(c2ccc3ccccc3c2)CC1 ZINC000055193721 168160167 /nfs/dbraw/zinc/16/01/67/168160167.db2.gz UJAVCMWFGVDXON-UHFFFAOYSA-N 1 0 239.362 4.204 10 0 BIAERO [NH3+]C1(c2cccc3ccccc32)CCCCCC1 ZINC000055193817 181334774 /nfs/dbraw/zinc/33/47/74/181334774.db2.gz RMDXBEGDXFKVFG-UHFFFAOYSA-N 1 0 239.362 4.348 10 0 BIAERO C[C@@H]1CCCC[C@]1([NH3+])c1ccc2ccccc2c1 ZINC000055194156 176091222 /nfs/dbraw/zinc/09/12/22/176091222.db2.gz LUOKPGHRHWADSJ-CXAGYDPISA-N 1 0 239.362 4.204 10 0 BIAERO C[C@H]1CCCC[C@]1([NH3+])c1ccc2ccccc2c1 ZINC000055194159 177090505 /nfs/dbraw/zinc/09/05/05/177090505.db2.gz LUOKPGHRHWADSJ-SUMWQHHRSA-N 1 0 239.362 4.204 10 0 BIAERO C[C@@H]1CCCC[C@@]1([NH3+])c1ccc2ccccc2c1 ZINC000055194162 176083561 /nfs/dbraw/zinc/08/35/61/176083561.db2.gz LUOKPGHRHWADSJ-DYVFJYSZSA-N 1 0 239.362 4.204 10 0 BIAERO C[C@H]1CCCC[C@@]1([NH3+])c1ccc2ccccc2c1 ZINC000055194167 177085239 /nfs/dbraw/zinc/08/52/39/177085239.db2.gz LUOKPGHRHWADSJ-GUYCJALGSA-N 1 0 239.362 4.204 10 0 BIAERO CC[C@@H](C)[C@@](C)([NH3+])c1cccc2ccccc21 ZINC000055197883 170785055 /nfs/dbraw/zinc/78/50/55/170785055.db2.gz NQUXXHBADXLOJS-MLGOLLRUSA-N 1 0 227.351 4.060 10 0 BIAERO CC[C@H](C)[C@@](C)([NH3+])c1cccc2ccccc21 ZINC000055197885 171382270 /nfs/dbraw/zinc/38/22/70/171382270.db2.gz NQUXXHBADXLOJS-BLLLJJGKSA-N 1 0 227.351 4.060 10 0 BIAERO CC[C@@]([NH3+])(c1ccc2ccccc2c1)C(C)C ZINC000055198186 171193730 /nfs/dbraw/zinc/19/37/30/171193730.db2.gz KTCZDAUDFBOIOJ-INIZCTEOSA-N 1 0 227.351 4.060 10 0 BIAERO CC[C@]([NH3+])(c1ccc2ccccc2c1)C(C)C ZINC000055198190 171709839 /nfs/dbraw/zinc/70/98/39/171709839.db2.gz KTCZDAUDFBOIOJ-MRXNPFEDSA-N 1 0 227.351 4.060 10 0 BIAERO CC(C)C[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055206026 369144173 /nfs/dbraw/zinc/14/41/73/369144173.db2.gz XOMZXGNKMGLHHR-JTQLQIEISA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)C[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055206029 369144093 /nfs/dbraw/zinc/14/40/93/369144093.db2.gz XOMZXGNKMGLHHR-SNVBAGLBSA-N 1 0 232.154 4.039 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1cc(C)ccc1F ZINC000055223752 169277343 /nfs/dbraw/zinc/27/73/43/169277343.db2.gz PNUNAEUMTVFKCZ-HNNXBMFYSA-N 1 0 237.362 4.221 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1cc(C)ccc1F ZINC000055223754 169288254 /nfs/dbraw/zinc/28/82/54/169288254.db2.gz PNUNAEUMTVFKCZ-OAHLLOKOSA-N 1 0 237.362 4.221 10 0 BIAERO CCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000055224111 349086528 /nfs/dbraw/zinc/08/65/28/349086528.db2.gz HQCOVDSBQAEFIR-LBPRGKRZSA-N 1 0 245.288 4.156 10 0 BIAERO CCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000055224113 349086068 /nfs/dbraw/zinc/08/60/68/349086068.db2.gz HQCOVDSBQAEFIR-GFCCVEGCSA-N 1 0 245.288 4.156 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(F)cc1C)C(C)(C)C ZINC000055224504 169280725 /nfs/dbraw/zinc/28/07/25/169280725.db2.gz LBYTYTCEJZVGBF-AWEZNQCLSA-N 1 0 237.362 4.221 10 0 BIAERO CCC[NH2+][C@H](c1ccc(F)cc1C)C(C)(C)C ZINC000055224506 169289612 /nfs/dbraw/zinc/28/96/12/169289612.db2.gz LBYTYTCEJZVGBF-CQSZACIVSA-N 1 0 237.362 4.221 10 0 BIAERO CC(C)CC[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055226330 370579115 /nfs/dbraw/zinc/57/91/15/370579115.db2.gz LVQGFOOIZZNOSZ-NSHDSACASA-N 1 0 246.181 4.429 10 0 BIAERO CC(C)CC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055226334 370578809 /nfs/dbraw/zinc/57/88/09/370578809.db2.gz LVQGFOOIZZNOSZ-LLVKDONJSA-N 1 0 246.181 4.429 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)c1cc(C)ccc1F ZINC000055226394 170145571 /nfs/dbraw/zinc/14/55/71/170145571.db2.gz PARCPEFMRWKAGI-HNNXBMFYSA-N 1 0 237.362 4.221 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)c1cc(C)ccc1F ZINC000055226397 170161677 /nfs/dbraw/zinc/16/16/77/170161677.db2.gz PARCPEFMRWKAGI-OAHLLOKOSA-N 1 0 237.362 4.221 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1cc(F)ccc1C ZINC000055231706 169281655 /nfs/dbraw/zinc/28/16/55/169281655.db2.gz FZALSUHVKVVOBA-GDBMZVCRSA-N 1 0 249.373 4.160 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1cc(F)ccc1C ZINC000055231708 169290815 /nfs/dbraw/zinc/29/08/15/169290815.db2.gz FZALSUHVKVVOBA-ZBFHGGJFSA-N 1 0 249.373 4.160 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1cc(F)ccc1C ZINC000055231709 169282327 /nfs/dbraw/zinc/28/23/27/169282327.db2.gz FZALSUHVKVVOBA-GOEBONIOSA-N 1 0 249.373 4.160 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@H]1c1cc(F)ccc1C ZINC000055231711 169290730 /nfs/dbraw/zinc/29/07/30/169290730.db2.gz FZALSUHVKVVOBA-HOCLYGCPSA-N 1 0 249.373 4.160 10 0 BIAERO CC[NH2+][C@@H]1CCC[C@@H]1c1ccc2ccccc2c1 ZINC000055231917 170151009 /nfs/dbraw/zinc/15/10/09/170151009.db2.gz DPRFHWIKCCWOGX-IAGOWNOFSA-N 1 0 239.362 4.085 10 0 BIAERO CC[NH2+][C@H]1CCC[C@@H]1c1ccc2ccccc2c1 ZINC000055231918 170166882 /nfs/dbraw/zinc/16/68/82/170166882.db2.gz DPRFHWIKCCWOGX-SJORKVTESA-N 1 0 239.362 4.085 10 0 BIAERO CC[NH2+][C@@H]1CCC[C@H]1c1ccc2ccccc2c1 ZINC000055231920 170152315 /nfs/dbraw/zinc/15/23/15/170152315.db2.gz DPRFHWIKCCWOGX-DLBZAZTESA-N 1 0 239.362 4.085 10 0 BIAERO CC[NH2+][C@H]1CCC[C@H]1c1ccc2ccccc2c1 ZINC000055231922 170166777 /nfs/dbraw/zinc/16/67/77/170166777.db2.gz DPRFHWIKCCWOGX-IRXDYDNUSA-N 1 0 239.362 4.085 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(F)cc1C ZINC000055232276 170150374 /nfs/dbraw/zinc/15/03/74/170150374.db2.gz PREWWHJFQVZXIU-HZPDHXFCSA-N 1 0 249.373 4.160 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(F)cc1C ZINC000055232277 170165722 /nfs/dbraw/zinc/16/57/22/170165722.db2.gz PREWWHJFQVZXIU-CVEARBPZSA-N 1 0 249.373 4.160 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(F)cc1C ZINC000055232278 170150963 /nfs/dbraw/zinc/15/09/63/170150963.db2.gz PREWWHJFQVZXIU-JKSUJKDBSA-N 1 0 249.373 4.160 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@H]1c1ccc(F)cc1C ZINC000055232279 170166010 /nfs/dbraw/zinc/16/60/10/170166010.db2.gz PREWWHJFQVZXIU-HOTGVXAUSA-N 1 0 249.373 4.160 10 0 BIAERO CC[NH2+][C@@H](c1ccccc1C(F)(F)F)C(C)C ZINC000055233891 170148753 /nfs/dbraw/zinc/14/87/53/170148753.db2.gz RPOYLSWHPRDCMI-GFCCVEGCSA-N 1 0 245.288 4.012 10 0 BIAERO CC[NH2+][C@H](c1ccccc1C(F)(F)F)C(C)C ZINC000055233892 170164826 /nfs/dbraw/zinc/16/48/26/170164826.db2.gz RPOYLSWHPRDCMI-LBPRGKRZSA-N 1 0 245.288 4.012 10 0 BIAERO CC(C)CC[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000055234037 369153397 /nfs/dbraw/zinc/15/33/97/369153397.db2.gz RUSPMWHLWVWMGE-LBPRGKRZSA-N 1 0 245.288 4.141 10 0 BIAERO CC(C)CC[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000055234038 369153257 /nfs/dbraw/zinc/15/32/57/369153257.db2.gz RUSPMWHLWVWMGE-GFCCVEGCSA-N 1 0 245.288 4.141 10 0 BIAERO Cc1ccc([C@H]([NH3+])C2CCC(C)CC2)c(C)c1 ZINC000055236114 178907463 /nfs/dbraw/zinc/90/74/63/178907463.db2.gz ZOCQGCQOJGFHQH-HFLCMSJXSA-N 1 0 231.383 4.130 10 0 BIAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000055241635 169281776 /nfs/dbraw/zinc/28/17/76/169281776.db2.gz KSPVLJRGOHMMJU-IAGOWNOFSA-N 1 0 245.410 4.446 10 0 BIAERO CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000055241637 169291692 /nfs/dbraw/zinc/29/16/92/169291692.db2.gz KSPVLJRGOHMMJU-SJORKVTESA-N 1 0 245.410 4.446 10 0 BIAERO CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000055241639 169282525 /nfs/dbraw/zinc/28/25/25/169282525.db2.gz KSPVLJRGOHMMJU-DLBZAZTESA-N 1 0 245.410 4.446 10 0 BIAERO CCC[NH2+][C@H]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000055241641 169291483 /nfs/dbraw/zinc/29/14/83/169291483.db2.gz KSPVLJRGOHMMJU-IRXDYDNUSA-N 1 0 245.410 4.446 10 0 BIAERO CCCOc1ccc([C@@H](CC(C)C)[NH2+]CC)cc1 ZINC000055263855 169320941 /nfs/dbraw/zinc/32/09/41/169320941.db2.gz WNFWXYZLVFYZPR-MRXNPFEDSA-N 1 0 249.398 4.172 10 0 BIAERO CCCOc1ccc([C@H](CC(C)C)[NH2+]CC)cc1 ZINC000055263857 169322132 /nfs/dbraw/zinc/32/21/32/169322132.db2.gz WNFWXYZLVFYZPR-INIZCTEOSA-N 1 0 249.398 4.172 10 0 BIAERO CCC[NH2+][C@@H](CCC)c1ccc(OCCC)cc1 ZINC000055263962 169278244 /nfs/dbraw/zinc/27/82/44/169278244.db2.gz ACPJGOYZJOJXGZ-INIZCTEOSA-N 1 0 249.398 4.316 10 0 BIAERO CCC[NH2+][C@H](CCC)c1ccc(OCCC)cc1 ZINC000055263965 169289152 /nfs/dbraw/zinc/28/91/52/169289152.db2.gz ACPJGOYZJOJXGZ-MRXNPFEDSA-N 1 0 249.398 4.316 10 0 BIAERO CCCOc1ccc([C@H]([NH2+]CC)C(C)(C)C)cc1 ZINC000055263985 169322427 /nfs/dbraw/zinc/32/24/27/169322427.db2.gz BFWRWNLRYIHYLY-HNNXBMFYSA-N 1 0 249.398 4.172 10 0 BIAERO CCCOc1ccc([C@@H]([NH2+]CC)C(C)(C)C)cc1 ZINC000055263987 169321679 /nfs/dbraw/zinc/32/16/79/169321679.db2.gz BFWRWNLRYIHYLY-OAHLLOKOSA-N 1 0 249.398 4.172 10 0 BIAERO CC[C@@H](C)c1ccc(C[NH2+][C@@H](C)CC)cc1 ZINC000057501013 171343514 /nfs/dbraw/zinc/34/35/14/171343514.db2.gz VJLVBPUYYIIPSU-OLZOCXBDSA-N 1 0 219.372 4.088 10 0 BIAERO CC[C@H](C)[NH2+]Cc1ccc([C@@H](C)CC)cc1 ZINC000057501016 171343201 /nfs/dbraw/zinc/34/32/01/171343201.db2.gz VJLVBPUYYIIPSU-STQMWFEESA-N 1 0 219.372 4.088 10 0 BIAERO CCCCc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000057519880 169020426 /nfs/dbraw/zinc/02/04/26/169020426.db2.gz RBFRRDRXYKSOHL-UHFFFAOYSA-N 1 0 231.383 4.061 10 0 BIAERO CCCCc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000057535283 169021182 /nfs/dbraw/zinc/02/11/82/169021182.db2.gz PYTHUACZTUKBIK-UHFFFAOYSA-N 1 0 245.410 4.452 10 0 BIAERO CCC[C@@H](C)CNc1ccc([NH+](CC)CC)cc1 ZINC000057670925 169360593 /nfs/dbraw/zinc/36/05/93/169360593.db2.gz WOUMDOFBWQCGOC-CQSZACIVSA-N 1 0 248.414 4.381 10 0 BIAERO CCC[C@H](C)CNc1ccc([NH+](CC)CC)cc1 ZINC000057670928 169483420 /nfs/dbraw/zinc/48/34/20/169483420.db2.gz WOUMDOFBWQCGOC-AWEZNQCLSA-N 1 0 248.414 4.381 10 0 BIAERO CCC(CC)CNc1ccc([NH+](CC)CC)cc1 ZINC000057671169 168366049 /nfs/dbraw/zinc/36/60/49/168366049.db2.gz YVZJMGKHNDPAQZ-UHFFFAOYSA-N 1 0 248.414 4.381 10 0 BIAERO C[C@H]([NH3+])c1ccc(Oc2ccccc2)c(Cl)c1 ZINC000058826212 385027568 /nfs/dbraw/zinc/02/75/68/385027568.db2.gz UDHXDXIVZBUUDV-JTQLQIEISA-N 1 0 247.725 4.152 10 0 BIAERO C[C@@H]([NH3+])c1ccc(Oc2ccccc2)c(Cl)c1 ZINC000058826217 385028843 /nfs/dbraw/zinc/02/88/43/385028843.db2.gz UDHXDXIVZBUUDV-SNVBAGLBSA-N 1 0 247.725 4.152 10 0 BIAERO C[C@H](c1ccccc1)[N@@H+]1CCCC2=CCCC[C@@H]21 ZINC000059152387 177038878 /nfs/dbraw/zinc/03/88/78/177038878.db2.gz XJBZSBNOHKEMCE-PBHICJAKSA-N 1 0 241.378 4.322 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1cccc(C)c1 ZINC000060715701 169281827 /nfs/dbraw/zinc/28/18/27/169281827.db2.gz SCGMPZZTWRUAEI-HZPDHXFCSA-N 1 0 231.383 4.021 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1cccc(C)c1 ZINC000060715703 169290718 /nfs/dbraw/zinc/29/07/18/169290718.db2.gz SCGMPZZTWRUAEI-CVEARBPZSA-N 1 0 231.383 4.021 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1cccc(C)c1 ZINC000060715704 169282287 /nfs/dbraw/zinc/28/22/87/169282287.db2.gz SCGMPZZTWRUAEI-JKSUJKDBSA-N 1 0 231.383 4.021 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@H]1c1cccc(C)c1 ZINC000060715706 169290826 /nfs/dbraw/zinc/29/08/26/169290826.db2.gz SCGMPZZTWRUAEI-HOTGVXAUSA-N 1 0 231.383 4.021 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1C ZINC000060715733 169281589 /nfs/dbraw/zinc/28/15/89/169281589.db2.gz BIKWMIZDXNBIOA-HZPDHXFCSA-N 1 0 231.383 4.021 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1C ZINC000060715734 169290643 /nfs/dbraw/zinc/29/06/43/169290643.db2.gz BIKWMIZDXNBIOA-CVEARBPZSA-N 1 0 231.383 4.021 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1C ZINC000060715736 169282005 /nfs/dbraw/zinc/28/20/05/169282005.db2.gz BIKWMIZDXNBIOA-JKSUJKDBSA-N 1 0 231.383 4.021 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1C ZINC000060715737 169291135 /nfs/dbraw/zinc/29/11/35/169291135.db2.gz BIKWMIZDXNBIOA-HOTGVXAUSA-N 1 0 231.383 4.021 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000060717052 170150509 /nfs/dbraw/zinc/15/05/09/170150509.db2.gz LFYTURUUAHHMCX-HZPDHXFCSA-N 1 0 231.383 4.021 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000060717059 170166279 /nfs/dbraw/zinc/16/62/79/170166279.db2.gz LFYTURUUAHHMCX-CVEARBPZSA-N 1 0 231.383 4.021 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(C)cc1 ZINC000060717061 170150915 /nfs/dbraw/zinc/15/09/15/170150915.db2.gz LFYTURUUAHHMCX-JKSUJKDBSA-N 1 0 231.383 4.021 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@H]1c1ccc(C)cc1 ZINC000060717063 170165615 /nfs/dbraw/zinc/16/56/15/170165615.db2.gz LFYTURUUAHHMCX-HOTGVXAUSA-N 1 0 231.383 4.021 10 0 BIAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1c1ccccc1 ZINC000060717195 169282367 /nfs/dbraw/zinc/28/23/67/169282367.db2.gz YNXKTRAAPUTUST-HZPDHXFCSA-N 1 0 231.383 4.103 10 0 BIAERO CCC[NH2+][C@H]1CCCCC[C@@H]1c1ccccc1 ZINC000060717197 169291166 /nfs/dbraw/zinc/29/11/66/169291166.db2.gz YNXKTRAAPUTUST-CVEARBPZSA-N 1 0 231.383 4.103 10 0 BIAERO CCC[NH2+][C@@H]1CCCCC[C@H]1c1ccccc1 ZINC000060717198 169282276 /nfs/dbraw/zinc/28/22/76/169282276.db2.gz YNXKTRAAPUTUST-JKSUJKDBSA-N 1 0 231.383 4.103 10 0 BIAERO CCC[NH2+][C@H]1CCCCC[C@H]1c1ccccc1 ZINC000060717200 169290922 /nfs/dbraw/zinc/29/09/22/169290922.db2.gz YNXKTRAAPUTUST-HOTGVXAUSA-N 1 0 231.383 4.103 10 0 BIAERO CC(C)[C@H](Cc1cccc2ccccc21)[C@@H](C)[NH3+] ZINC000061686130 188302773 /nfs/dbraw/zinc/30/27/73/188302773.db2.gz CANLUGHNQCBAAK-DYVFJYSZSA-N 1 0 241.378 4.002 10 0 BIAERO CC(C)[C@@H](Cc1cccc2ccccc21)[C@H](C)[NH3+] ZINC000061686131 167409806 /nfs/dbraw/zinc/40/98/06/167409806.db2.gz CANLUGHNQCBAAK-SUMWQHHRSA-N 1 0 241.378 4.002 10 0 BIAERO CC(C)[C@H](Cc1cccc2ccccc21)[C@H](C)[NH3+] ZINC000061686132 187784084 /nfs/dbraw/zinc/78/40/84/187784084.db2.gz CANLUGHNQCBAAK-GUYCJALGSA-N 1 0 241.378 4.002 10 0 BIAERO C[NH2+][C@H](C)[C@@H](Cc1c(C)cc(C)cc1C)C(C)C ZINC000061686701 173447856 /nfs/dbraw/zinc/44/78/56/173447856.db2.gz VKVMPCDRESUYFG-CVEARBPZSA-N 1 0 247.426 4.034 10 0 BIAERO C[NH2+][C@@H](C)[C@@H](Cc1c(C)cc(C)cc1C)C(C)C ZINC000061686703 173417493 /nfs/dbraw/zinc/41/74/93/173417493.db2.gz VKVMPCDRESUYFG-HOTGVXAUSA-N 1 0 247.426 4.034 10 0 BIAERO CCNc1c2ccccc2[nH+]c(C)c1C(C)C ZINC000061687697 170170579 /nfs/dbraw/zinc/17/05/79/170170579.db2.gz OXEWJJHHACSTBM-UHFFFAOYSA-N 1 0 228.339 4.098 10 0 BIAERO Cc1[nH+]c2c(cccc2C(C)C)c(N)c1C(C)C ZINC000061687760 180061614 /nfs/dbraw/zinc/06/16/14/180061614.db2.gz YSPXPDCAHWSGIU-UHFFFAOYSA-N 1 0 242.366 4.372 10 0 BIAERO C[NH2+][C@@H]1C[C@H](C)CCc2ccc(C(C)C)cc21 ZINC000061831787 173439135 /nfs/dbraw/zinc/43/91/35/173439135.db2.gz YQEFZMITJQTEKO-MLGOLLRUSA-N 1 0 231.383 4.043 10 0 BIAERO C[NH2+][C@@H]1C[C@@H](C)CCc2ccc(C(C)C)cc21 ZINC000061831788 173438311 /nfs/dbraw/zinc/43/83/11/173438311.db2.gz YQEFZMITJQTEKO-BLLLJJGKSA-N 1 0 231.383 4.043 10 0 BIAERO CCCCC[C@H]([NH3+])c1ccc(F)cc1Cl ZINC000061846222 350530428 /nfs/dbraw/zinc/53/04/28/350530428.db2.gz QUOCZJFVWYIQNV-LBPRGKRZSA-N 1 0 229.726 4.059 10 0 BIAERO CCCCC[C@@H]([NH3+])c1ccc(F)cc1Cl ZINC000061846223 350530423 /nfs/dbraw/zinc/53/04/23/350530423.db2.gz QUOCZJFVWYIQNV-GFCCVEGCSA-N 1 0 229.726 4.059 10 0 BIAERO CCc1oc2ccccc2c1[C@H]([NH3+])C(CC)CC ZINC000061876875 172112727 /nfs/dbraw/zinc/11/27/27/172112727.db2.gz WZSRUQSQMZUMRL-MRXNPFEDSA-N 1 0 245.366 4.431 10 0 BIAERO CCc1oc2ccccc2c1[C@@H]([NH3+])C(CC)CC ZINC000061876876 172112756 /nfs/dbraw/zinc/11/27/56/172112756.db2.gz WZSRUQSQMZUMRL-INIZCTEOSA-N 1 0 245.366 4.431 10 0 BIAERO CCc1oc2ccccc2c1[C@H]([NH3+])C1CCCC1 ZINC000061876893 172112649 /nfs/dbraw/zinc/11/26/49/172112649.db2.gz KHYQBKCLQDWCBP-MRXNPFEDSA-N 1 0 243.350 4.185 10 0 BIAERO CCc1oc2ccccc2c1[C@@H]([NH3+])C1CCCC1 ZINC000061876894 172113037 /nfs/dbraw/zinc/11/30/37/172113037.db2.gz KHYQBKCLQDWCBP-INIZCTEOSA-N 1 0 243.350 4.185 10 0 BIAERO CCC[C@@H](C)[C@H]([NH3+])c1c2ccccc2oc1CC ZINC000061876913 169373719 /nfs/dbraw/zinc/37/37/19/169373719.db2.gz RPFMERMWBNQRDN-BZNIZROVSA-N 1 0 245.366 4.431 10 0 BIAERO CCC[C@@H](C)[C@@H]([NH3+])c1c2ccccc2oc1CC ZINC000061876915 169372228 /nfs/dbraw/zinc/37/22/28/169372228.db2.gz RPFMERMWBNQRDN-BDJLRTHQSA-N 1 0 245.366 4.431 10 0 BIAERO CCc1oc2ccccc2c1[C@H]([NH3+])CC(C)(C)C ZINC000061876975 172112893 /nfs/dbraw/zinc/11/28/93/172112893.db2.gz UFFVMUKDTHCCSS-GFCCVEGCSA-N 1 0 245.366 4.431 10 0 BIAERO CCc1oc2ccccc2c1[C@@H]([NH3+])CC(C)(C)C ZINC000061876976 172111956 /nfs/dbraw/zinc/11/19/56/172111956.db2.gz UFFVMUKDTHCCSS-LBPRGKRZSA-N 1 0 245.366 4.431 10 0 BIAERO CCCC[C@H]([NH2+]C)c1c2ccccc2oc1CC ZINC000061877047 169012004 /nfs/dbraw/zinc/01/20/04/169012004.db2.gz QJHUUUFWXHSUEY-ZDUSSCGKSA-N 1 0 245.366 4.446 10 0 BIAERO CCc1oc2ccccc2c1[C@H]([NH2+]C)C(C)(C)C ZINC000061877067 172112009 /nfs/dbraw/zinc/11/20/09/172112009.db2.gz UCOWIBDNFIRRCI-HNNXBMFYSA-N 1 0 245.366 4.302 10 0 BIAERO CCc1oc2ccccc2c1[C@@H]([NH2+]C)C(C)(C)C ZINC000061877068 172112311 /nfs/dbraw/zinc/11/23/11/172112311.db2.gz UCOWIBDNFIRRCI-OAHLLOKOSA-N 1 0 245.366 4.302 10 0 BIAERO CCC[C@@H]([NH2+]CC)c1c2ccccc2oc1CC ZINC000061877156 169399232 /nfs/dbraw/zinc/39/92/32/169399232.db2.gz CSOUOEXCWZWLDV-CYBMUJFWSA-N 1 0 245.366 4.446 10 0 BIAERO C[C@@H](CC[NH2+]CCC(C)(C)C)c1ccccc1 ZINC000061910160 175675826 /nfs/dbraw/zinc/67/58/26/175675826.db2.gz ZSWFCPDTNBWVAU-AWEZNQCLSA-N 1 0 233.399 4.206 10 0 BIAERO CCC[C@](C)(C[NH2+]C(C)(C)C)Cc1ccco1 ZINC000062103098 169543457 /nfs/dbraw/zinc/54/34/57/169543457.db2.gz XUIWERIGCZLNOE-HNNXBMFYSA-N 1 0 237.387 4.017 10 0 BIAERO CC(C)(C)c1ccc(C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000062169625 187273349 /nfs/dbraw/zinc/27/33/49/187273349.db2.gz IJJPPKICMAECMX-GDBMZVCRSA-N 1 0 245.410 4.044 10 0 BIAERO CCCCC[C@H](C)[NH2+][C@H](C)Cc1ccccc1 ZINC000062170139 168743808 /nfs/dbraw/zinc/74/38/08/168743808.db2.gz OXDDLIDELMNKRO-LSDHHAIUSA-N 1 0 233.399 4.176 10 0 BIAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1ccccc1 ZINC000062170792 170971199 /nfs/dbraw/zinc/97/11/99/170971199.db2.gz QBILGYLOXSNCMG-USXIJHARSA-N 1 0 245.410 4.176 10 0 BIAERO CCCC(CCC)[NH2+][C@@H](C)Cc1ccccc1 ZINC000062182940 168583570 /nfs/dbraw/zinc/58/35/70/168583570.db2.gz NBFFCHXEAVBZPU-AWEZNQCLSA-N 1 0 233.399 4.176 10 0 BIAERO CCCCC1CCC(C[NH2+][C@H](C)CC)CC1 ZINC000062434992 168631659 /nfs/dbraw/zinc/63/16/59/168631659.db2.gz LHNMIUQHUFUNKH-WLYUNCDWSA-N 1 0 225.420 4.371 10 0 BIAERO CC(C)(C)c1ccc([C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000062621686 188486873 /nfs/dbraw/zinc/48/68/73/188486873.db2.gz XUNLKPOQDGCODW-HOTGVXAUSA-N 1 0 245.410 4.359 10 0 BIAERO CC(C)(C)c1ccc([C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000062621691 187784498 /nfs/dbraw/zinc/78/44/98/187784498.db2.gz XUNLKPOQDGCODW-HZPDHXFCSA-N 1 0 245.410 4.359 10 0 BIAERO CC(C)(C)c1ccc([C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000062621696 188303754 /nfs/dbraw/zinc/30/37/54/188303754.db2.gz PGUAIOKWGHMFEW-HOCLYGCPSA-N 1 0 245.410 4.217 10 0 BIAERO CC[C@H]([NH2+][C@H](C)Cc1ccco1)C1CCCCC1 ZINC000062772133 171545001 /nfs/dbraw/zinc/54/50/01/171545001.db2.gz FQIKYMLBRRUYAV-CJNGLKHVSA-N 1 0 249.398 4.159 10 0 BIAERO CCC[NH2+][C@@H](CCC)C(C)(C)c1ccccc1 ZINC000062773580 169277689 /nfs/dbraw/zinc/27/76/89/169277689.db2.gz DMMAABYMEKQVBR-HNNXBMFYSA-N 1 0 233.399 4.133 10 0 BIAERO CCC[NH2+][C@H](CCC)C(C)(C)c1ccccc1 ZINC000062773581 169289216 /nfs/dbraw/zinc/28/92/16/169289216.db2.gz DMMAABYMEKQVBR-OAHLLOKOSA-N 1 0 233.399 4.133 10 0 BIAERO CC[NH2+][C@@H](C[C@H](C)CC)c1ccc(F)cc1F ZINC000062774495 170146033 /nfs/dbraw/zinc/14/60/33/170146033.db2.gz XXDJIJMZVUNZNJ-YGRLFVJLSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](C[C@@H](C)CC)c1ccc(F)cc1F ZINC000062774496 170146041 /nfs/dbraw/zinc/14/60/41/170146041.db2.gz XXDJIJMZVUNZNJ-HZMBPMFUSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](C[C@H](C)CC)c1ccc(F)cc1F ZINC000062774497 170162471 /nfs/dbraw/zinc/16/24/71/170162471.db2.gz XXDJIJMZVUNZNJ-QMTHXVAHSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@H](C[C@@H](C)CC)c1ccc(F)cc1F ZINC000062774498 170162303 /nfs/dbraw/zinc/16/23/03/170162303.db2.gz XXDJIJMZVUNZNJ-IINYFYTJSA-N 1 0 241.325 4.052 10 0 BIAERO CCCCC[C@H]([NH2+]C)C1(c2ccccc2)CCC1 ZINC000062781765 168744901 /nfs/dbraw/zinc/74/49/01/168744901.db2.gz XIHGHTPRFSFLEP-INIZCTEOSA-N 1 0 245.410 4.277 10 0 BIAERO CCCC[C@H]([NH2+]CC)C1(c2ccccc2)CCC1 ZINC000062781861 169011208 /nfs/dbraw/zinc/01/12/08/169011208.db2.gz CBIRVHVCOCZYTK-INIZCTEOSA-N 1 0 245.410 4.277 10 0 BIAERO CCCC[C@@H]([NH2+]CC)C1(c2ccccc2)CCC1 ZINC000062781862 168974146 /nfs/dbraw/zinc/97/41/46/168974146.db2.gz CBIRVHVCOCZYTK-MRXNPFEDSA-N 1 0 245.410 4.277 10 0 BIAERO CC[NH2+][C@@H](CC(C)C)C1(c2ccccc2)CCC1 ZINC000062781863 170142573 /nfs/dbraw/zinc/14/25/73/170142573.db2.gz AHNWPIVRRDHPBF-INIZCTEOSA-N 1 0 245.410 4.133 10 0 BIAERO CC[NH2+][C@H](CC(C)C)C1(c2ccccc2)CCC1 ZINC000062781864 170160848 /nfs/dbraw/zinc/16/08/48/170160848.db2.gz AHNWPIVRRDHPBF-MRXNPFEDSA-N 1 0 245.410 4.133 10 0 BIAERO CCC[NH2+][C@@H](C(C)C)C1(c2ccccc2)CCC1 ZINC000062781927 169273459 /nfs/dbraw/zinc/27/34/59/169273459.db2.gz PDGLNFIRKJJOAH-INIZCTEOSA-N 1 0 245.410 4.133 10 0 BIAERO CCC[NH2+][C@H](C(C)C)C1(c2ccccc2)CCC1 ZINC000062781928 169285375 /nfs/dbraw/zinc/28/53/75/169285375.db2.gz PDGLNFIRKJJOAH-MRXNPFEDSA-N 1 0 245.410 4.133 10 0 BIAERO C[NH2+][C@@H](C(C)C)C1(c2ccccc2)CCCCC1 ZINC000062782958 173411113 /nfs/dbraw/zinc/41/11/13/173411113.db2.gz BKNKSUKJHLIRPW-INIZCTEOSA-N 1 0 245.410 4.133 10 0 BIAERO CCCCC[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785891 350557295 /nfs/dbraw/zinc/55/72/95/350557295.db2.gz NOLDJBKJYMHZFY-LBPRGKRZSA-N 1 0 229.726 4.059 10 0 BIAERO CCCCC[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785892 346990136 /nfs/dbraw/zinc/99/01/36/346990136.db2.gz NOLDJBKJYMHZFY-GFCCVEGCSA-N 1 0 229.726 4.059 10 0 BIAERO CCCCC[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792111 347047545 /nfs/dbraw/zinc/04/75/45/347047545.db2.gz BOFKTFRQXXWUPQ-LBPRGKRZSA-N 1 0 229.726 4.059 10 0 BIAERO CCCCC[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792112 347047879 /nfs/dbraw/zinc/04/78/79/347047879.db2.gz BOFKTFRQXXWUPQ-GFCCVEGCSA-N 1 0 229.726 4.059 10 0 BIAERO CCCC[C@H]([NH2+]CC)c1cc2ccccc2o1 ZINC000062797857 169012338 /nfs/dbraw/zinc/01/23/38/169012338.db2.gz VIFWCFDMZWZYNO-ZDUSSCGKSA-N 1 0 231.339 4.274 10 0 BIAERO CCC[C@@H](C)C[C@H]([NH3+])c1ccc2ncccc2c1 ZINC000062802140 169361677 /nfs/dbraw/zinc/36/16/77/169361677.db2.gz OCSLDDHIUJQVCV-DOMZBBRYSA-N 1 0 242.366 4.061 10 0 BIAERO CCC[C@@H](C)C[C@@H]([NH3+])c1ccc2ncccc2c1 ZINC000062802142 169361615 /nfs/dbraw/zinc/36/16/15/169361615.db2.gz OCSLDDHIUJQVCV-IUODEOHRSA-N 1 0 242.366 4.061 10 0 BIAERO CCOc1ccccc1NC(=[NH2+])C1CCCCC1 ZINC000062988471 188304234 /nfs/dbraw/zinc/30/42/34/188304234.db2.gz XHPGYMULINXHGQ-UHFFFAOYSA-N 1 0 246.354 4.055 10 0 BIAERO CCC(=[NH2+])Nc1ccc(Oc2ccccc2)cc1 ZINC000062988534 168197286 /nfs/dbraw/zinc/19/72/86/168197286.db2.gz PMFDVHZXQGWQBU-UHFFFAOYSA-N 1 0 240.306 4.278 10 0 BIAERO CCC(=[NH2+])Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000062988690 168196514 /nfs/dbraw/zinc/19/65/14/168196514.db2.gz XVDNERYRMZCXGI-UHFFFAOYSA-N 1 0 236.318 4.057 10 0 BIAERO [NH2+]=C(NC1CCCCCCC1)C1CCCCC1 ZINC000062988767 181198607 /nfs/dbraw/zinc/19/86/07/181198607.db2.gz SOJZUBWRUZNMLF-UHFFFAOYSA-N 1 0 236.403 4.246 10 0 BIAERO [NH2+]=C(Nc1ccc2c(c1)CCC2)C1CCCCC1 ZINC000062988915 181200228 /nfs/dbraw/zinc/20/02/28/181200228.db2.gz BLQJSCJKPMJYIZ-UHFFFAOYSA-N 1 0 242.366 4.145 10 0 BIAERO Cc1ccc(C)c(NC(=[NH2+])C2CCCCC2)c1 ZINC000062989048 188304149 /nfs/dbraw/zinc/30/41/49/188304149.db2.gz MIEOQSYKFLTXSO-UHFFFAOYSA-N 1 0 230.355 4.273 10 0 BIAERO Cc1ccc(NC(=[NH2+])C2CCCCC2)cc1C ZINC000062989373 187273466 /nfs/dbraw/zinc/27/34/66/187273466.db2.gz ZYDADINHHCSIRF-UHFFFAOYSA-N 1 0 230.355 4.273 10 0 BIAERO [NH2+]=C(Nc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000062989540 181200327 /nfs/dbraw/zinc/20/03/27/181200327.db2.gz SQJYTBKFADFGJE-UHFFFAOYSA-N 1 0 236.318 4.153 10 0 BIAERO C[C@H](NC(=[NH2+])C1CCCCC1)c1ccccc1F ZINC000062991952 176784335 /nfs/dbraw/zinc/78/43/35/176784335.db2.gz UOWCJBOFKINXJW-NSHDSACASA-N 1 0 248.345 4.034 10 0 BIAERO CCOc1cccc(NC(=[NH2+])C2CCCCC2)c1 ZINC000062992812 170580528 /nfs/dbraw/zinc/58/05/28/170580528.db2.gz PRAZGESOGYWMBG-UHFFFAOYSA-N 1 0 246.354 4.055 10 0 BIAERO CCCc1ccccc1NC(=[NH2+])c1ccccc1 ZINC000062993172 169578682 /nfs/dbraw/zinc/57/86/82/169578682.db2.gz DIZWXVANGRGYQB-UHFFFAOYSA-N 1 0 238.334 4.077 10 0 BIAERO CCCC(=[NH2+])Nc1ccc(C)c(C(F)(F)F)c1 ZINC000062993599 168531486 /nfs/dbraw/zinc/53/14/86/168531486.db2.gz WHFLYKMHUGGZIB-UHFFFAOYSA-N 1 0 244.260 4.203 10 0 BIAERO [NH2+]=C(C1CCCC1)N1CCC2(CCCCC2)CC1 ZINC000062994056 181185092 /nfs/dbraw/zinc/18/50/92/181185092.db2.gz KFQHVQQWZNKUGG-UHFFFAOYSA-N 1 0 248.414 4.200 10 0 BIAERO CCC(CC)(C(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000062994927 168311027 /nfs/dbraw/zinc/31/10/27/168311027.db2.gz YIBQVCWIOVVDRH-UHFFFAOYSA-N 1 0 246.398 4.110 10 0 BIAERO CCN(CC)C(=[NH2+])C(CC)(CC)c1ccccc1 ZINC000062995318 169744536 /nfs/dbraw/zinc/74/45/36/169744536.db2.gz LIWWHRGLFHJYJI-UHFFFAOYSA-N 1 0 246.398 4.063 10 0 BIAERO Cc1ccc([C@H]([NH3+])c2ccc(C)c(Cl)c2)cc1 ZINC000063021265 178908202 /nfs/dbraw/zinc/90/82/02/178908202.db2.gz PZINHPHTINZTSS-HNNXBMFYSA-N 1 0 245.753 4.005 10 0 BIAERO CCC[NH2+][C@H](C1=CCCC1)c1ccc(F)c(C)c1 ZINC000063056013 169288423 /nfs/dbraw/zinc/28/84/23/169288423.db2.gz HARRBKSOUALITK-MRXNPFEDSA-N 1 0 247.357 4.285 10 0 BIAERO CCC[NH2+][C@@H](C1=CCCC1)c1ccc(F)c(C)c1 ZINC000063056014 169277118 /nfs/dbraw/zinc/27/71/18/169277118.db2.gz HARRBKSOUALITK-INIZCTEOSA-N 1 0 247.357 4.285 10 0 BIAERO CC[NH2+][C@@H](CC(C)C)[C@@H]1CCCc2ccccc21 ZINC000063158165 170143165 /nfs/dbraw/zinc/14/31/65/170143165.db2.gz CTLWEVXAZNIYFK-SJORKVTESA-N 1 0 245.410 4.131 10 0 BIAERO CC[NH2+][C@H](CC(C)C)[C@@H]1CCCc2ccccc21 ZINC000063158166 170161165 /nfs/dbraw/zinc/16/11/65/170161165.db2.gz CTLWEVXAZNIYFK-IAGOWNOFSA-N 1 0 245.410 4.131 10 0 BIAERO CC[NH2+][C@@H](CC(C)C)[C@H]1CCCc2ccccc21 ZINC000063158167 170143302 /nfs/dbraw/zinc/14/33/02/170143302.db2.gz CTLWEVXAZNIYFK-IRXDYDNUSA-N 1 0 245.410 4.131 10 0 BIAERO CC[NH2+][C@H](CC(C)C)[C@H]1CCCc2ccccc21 ZINC000063158168 170160903 /nfs/dbraw/zinc/16/09/03/170160903.db2.gz CTLWEVXAZNIYFK-DLBZAZTESA-N 1 0 245.410 4.131 10 0 BIAERO CCCCCOc1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000066116136 168731280 /nfs/dbraw/zinc/73/12/80/168731280.db2.gz XKXLJUWDCCOHOD-AWEZNQCLSA-N 1 0 249.398 4.144 10 0 BIAERO CCC(CC)(CCC[NH3+])C1CCCCC1 ZINC000068592293 168319029 /nfs/dbraw/zinc/31/90/29/168319029.db2.gz FKNXEEWKBLCPDL-UHFFFAOYSA-N 1 0 211.393 4.112 10 0 BIAERO CCCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000068986396 324916702 /nfs/dbraw/zinc/91/67/02/324916702.db2.gz KGEJFNBBVFNMAY-QWHCGFSZSA-N 1 0 223.360 4.207 10 0 BIAERO CCCC[C@H](CC)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000068986399 324916712 /nfs/dbraw/zinc/91/67/12/324916712.db2.gz KGEJFNBBVFNMAY-STQMWFEESA-N 1 0 223.360 4.207 10 0 BIAERO CCCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C)o1 ZINC000068986402 324917498 /nfs/dbraw/zinc/91/74/98/324917498.db2.gz KGEJFNBBVFNMAY-CHWSQXEVSA-N 1 0 223.360 4.207 10 0 BIAERO CCCC[C@H](CC)[NH2+][C@H](C)c1ccc(C)o1 ZINC000068986405 324917531 /nfs/dbraw/zinc/91/75/31/324917531.db2.gz KGEJFNBBVFNMAY-OLZOCXBDSA-N 1 0 223.360 4.207 10 0 BIAERO [NH3+]Cc1cccc(Oc2cccc3ccccc32)c1 ZINC000069329845 188305313 /nfs/dbraw/zinc/30/53/13/188305313.db2.gz UZWDZWMJQXCASD-UHFFFAOYSA-N 1 0 249.313 4.091 10 0 BIAERO [NH3+]Cc1cccc(Oc2ccc3ccccc3c2)c1 ZINC000069329900 187614338 /nfs/dbraw/zinc/61/43/38/187614338.db2.gz NDZMEULKFVNNGV-UHFFFAOYSA-N 1 0 249.313 4.091 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)c1sccc1C)C(C)C ZINC000069636872 388852924 /nfs/dbraw/zinc/85/29/24/388852924.db2.gz BSCUBWXFJMJJOH-RYUDHWBXSA-N 1 0 225.401 4.142 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)c1sccc1C)C(C)C ZINC000069636873 388853497 /nfs/dbraw/zinc/85/34/97/388853497.db2.gz BSCUBWXFJMJJOH-NWDGAFQWSA-N 1 0 225.401 4.142 10 0 BIAERO CC[C@H]([NH2+][C@H](C)c1sccc1C)C(C)C ZINC000069636875 324961897 /nfs/dbraw/zinc/96/18/97/324961897.db2.gz BSCUBWXFJMJJOH-NEPJUHHUSA-N 1 0 225.401 4.142 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)c1sccc1C)C(C)C ZINC000069636877 388853101 /nfs/dbraw/zinc/85/31/01/388853101.db2.gz BSCUBWXFJMJJOH-VXGBXAGGSA-N 1 0 225.401 4.142 10 0 BIAERO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000069663670 388856632 /nfs/dbraw/zinc/85/66/32/388856632.db2.gz QZBQMOLBKIFODJ-QWRGUYRKSA-N 1 0 237.774 4.179 10 0 BIAERO C[C@H](CC1CC1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000069663673 388857092 /nfs/dbraw/zinc/85/70/92/388857092.db2.gz QZBQMOLBKIFODJ-MNOVXSKESA-N 1 0 237.774 4.179 10 0 BIAERO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000069663865 324965474 /nfs/dbraw/zinc/96/54/74/324965474.db2.gz FDLBIGJKTZAHSZ-QWRGUYRKSA-N 1 0 237.774 4.179 10 0 BIAERO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000069663868 324965197 /nfs/dbraw/zinc/96/51/97/324965197.db2.gz FDLBIGJKTZAHSZ-MNOVXSKESA-N 1 0 237.774 4.179 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(Cl)cc1 ZINC000069663870 388857282 /nfs/dbraw/zinc/85/72/82/388857282.db2.gz FDLBIGJKTZAHSZ-WDEREUQCSA-N 1 0 237.774 4.179 10 0 BIAERO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000069663873 388856330 /nfs/dbraw/zinc/85/63/30/388856330.db2.gz FDLBIGJKTZAHSZ-GHMZBOCLSA-N 1 0 237.774 4.179 10 0 BIAERO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000069804349 324979801 /nfs/dbraw/zinc/97/98/01/324979801.db2.gz OBFIEISBUXRXIU-NWDGAFQWSA-N 1 0 237.412 4.286 10 0 BIAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000069804351 324979448 /nfs/dbraw/zinc/97/94/48/324979448.db2.gz OBFIEISBUXRXIU-RYUDHWBXSA-N 1 0 237.412 4.286 10 0 BIAERO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000069804354 324979643 /nfs/dbraw/zinc/97/96/43/324979643.db2.gz OBFIEISBUXRXIU-VXGBXAGGSA-N 1 0 237.412 4.286 10 0 BIAERO Cc1ccsc1[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000069804356 388867571 /nfs/dbraw/zinc/86/75/71/388867571.db2.gz OBFIEISBUXRXIU-NEPJUHHUSA-N 1 0 237.412 4.286 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)C(C)(C)c1ccccc1 ZINC000070071253 170145114 /nfs/dbraw/zinc/14/51/14/170145114.db2.gz VZDITHQKSDILLN-INIZCTEOSA-N 1 0 247.426 4.379 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)C(C)(C)c1ccccc1 ZINC000070071254 170161392 /nfs/dbraw/zinc/16/13/92/170161392.db2.gz VZDITHQKSDILLN-MRXNPFEDSA-N 1 0 247.426 4.379 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2sccc2C)o1 ZINC000070090591 384077871 /nfs/dbraw/zinc/07/78/71/384077871.db2.gz RUDLBHHJIZELQP-NWDGAFQWSA-N 1 0 249.379 4.370 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2sccc2C)o1 ZINC000070090592 384077212 /nfs/dbraw/zinc/07/72/12/384077212.db2.gz RUDLBHHJIZELQP-RYUDHWBXSA-N 1 0 249.379 4.370 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2sccc2C)o1 ZINC000070090593 384077930 /nfs/dbraw/zinc/07/79/30/384077930.db2.gz RUDLBHHJIZELQP-VXGBXAGGSA-N 1 0 249.379 4.370 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2sccc2C)o1 ZINC000070090594 384078317 /nfs/dbraw/zinc/07/83/17/384078317.db2.gz RUDLBHHJIZELQP-NEPJUHHUSA-N 1 0 249.379 4.370 10 0 BIAERO CCCCC[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000070136856 168744395 /nfs/dbraw/zinc/74/43/95/168744395.db2.gz YSZYABGRHJMSDQ-HNNXBMFYSA-N 1 0 233.399 4.362 10 0 BIAERO Cc1ccc(C)c(C[NH2+]C2CCCCCC2)c1 ZINC000070136861 178473847 /nfs/dbraw/zinc/47/38/47/178473847.db2.gz RKDDMCSRVPKVGS-UHFFFAOYSA-N 1 0 231.383 4.116 10 0 BIAERO Cc1ccc(C)c(C[NH2+]CCC2=CCCCC2)c1 ZINC000070136917 178473620 /nfs/dbraw/zinc/47/36/20/178473620.db2.gz INNMJNOTWHRMEL-UHFFFAOYSA-N 1 0 243.394 4.284 10 0 BIAERO Cc1cccc(C[NH2+]CCC2=CCCCC2)c1C ZINC000070136918 179090290 /nfs/dbraw/zinc/09/02/90/179090290.db2.gz WBDNVUXKFLBJBI-UHFFFAOYSA-N 1 0 243.394 4.284 10 0 BIAERO CSc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1 ZINC000070305486 323185220 /nfs/dbraw/zinc/18/52/20/323185220.db2.gz FQNUTTJMERCKMW-GFCCVEGCSA-N 1 0 249.423 4.077 10 0 BIAERO CCc1ccc([C@@H](C)Nc2cc[nH+]cc2C)cc1 ZINC000070489558 325013017 /nfs/dbraw/zinc/01/30/17/325013017.db2.gz LRCNWDYEDMIKFG-CYBMUJFWSA-N 1 0 240.350 4.126 10 0 BIAERO CCc1ccc([C@H](C)Nc2cc[nH+]cc2C)cc1 ZINC000070489559 325013000 /nfs/dbraw/zinc/01/30/00/325013000.db2.gz LRCNWDYEDMIKFG-ZDUSSCGKSA-N 1 0 240.350 4.126 10 0 BIAERO Cc1c[nH+]ccc1N[C@@H](C)c1cccc(Cl)c1 ZINC000070489570 325013179 /nfs/dbraw/zinc/01/31/79/325013179.db2.gz HDDIBKKKCNSPHI-NSHDSACASA-N 1 0 246.741 4.217 10 0 BIAERO Cc1c[nH+]ccc1N[C@H](C)c1cccc(Cl)c1 ZINC000070489571 325012979 /nfs/dbraw/zinc/01/29/79/325012979.db2.gz HDDIBKKKCNSPHI-LLVKDONJSA-N 1 0 246.741 4.217 10 0 BIAERO Cc1c[nH+]ccc1N[C@@H](C)c1ccccc1Cl ZINC000070489605 325013032 /nfs/dbraw/zinc/01/30/32/325013032.db2.gz BXKVBLIMONUQRG-NSHDSACASA-N 1 0 246.741 4.217 10 0 BIAERO Cc1c[nH+]ccc1N[C@H](C)c1ccccc1Cl ZINC000070489606 325012926 /nfs/dbraw/zinc/01/29/26/325012926.db2.gz BXKVBLIMONUQRG-LLVKDONJSA-N 1 0 246.741 4.217 10 0 BIAERO CC1CCC(CC[NH2+]Cc2ccsc2)CC1 ZINC000070532206 537870068 /nfs/dbraw/zinc/87/00/68/537870068.db2.gz AEWIOOZFOCZVNB-UHFFFAOYSA-N 1 0 237.412 4.054 10 0 BIAERO Cc1ccc(C[NH2+]CCC2CCC(C)CC2)cc1 ZINC000070538389 643445756 /nfs/dbraw/zinc/44/57/56/643445756.db2.gz NNDXBNKRRZRGNV-UHFFFAOYSA-N 1 0 245.410 4.301 10 0 BIAERO CC1CCC(CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC000070538464 643445485 /nfs/dbraw/zinc/44/54/85/643445485.db2.gz YVYMHEDEVQWRKD-UHFFFAOYSA-N 1 0 249.373 4.132 10 0 BIAERO CC1CCC(CC[NH2+]Cc2cccc(F)c2)CC1 ZINC000070538466 643445766 /nfs/dbraw/zinc/44/57/66/643445766.db2.gz WGGVQVAAWFWODU-UHFFFAOYSA-N 1 0 249.373 4.132 10 0 BIAERO Cc1ccccc1C[NH2+]CCC1CCC(C)CC1 ZINC000070538529 643445862 /nfs/dbraw/zinc/44/58/62/643445862.db2.gz BSTNPYVHOITGRF-UHFFFAOYSA-N 1 0 245.410 4.301 10 0 BIAERO Cc1cccc(C[NH2+]CCC2CCC(C)CC2)c1 ZINC000070538530 643445970 /nfs/dbraw/zinc/44/59/70/643445970.db2.gz UNKCZXRCXUKEKW-UHFFFAOYSA-N 1 0 245.410 4.301 10 0 BIAERO CC1CCC(CC[NH2+]CC2CCCCC2)CC1 ZINC000070538537 643445629 /nfs/dbraw/zinc/44/56/29/643445629.db2.gz YHSQXDBPPIIPAS-UHFFFAOYSA-N 1 0 237.431 4.373 10 0 BIAERO CC1CCC(CC[NH2+]Cc2ccccc2F)CC1 ZINC000070538587 643445468 /nfs/dbraw/zinc/44/54/68/643445468.db2.gz AUCTUOUHTGRFDK-UHFFFAOYSA-N 1 0 249.373 4.132 10 0 BIAERO CCC[NH2+][C@@H](C)c1csc(C(CC)CC)n1 ZINC000070842380 169277444 /nfs/dbraw/zinc/27/74/44/169277444.db2.gz KISDPJFRPAPVDL-JTQLQIEISA-N 1 0 240.416 4.107 10 0 BIAERO CCC[NH2+][C@H](C)c1csc(C(CC)CC)n1 ZINC000070842386 169288576 /nfs/dbraw/zinc/28/85/76/169288576.db2.gz KISDPJFRPAPVDL-SNVBAGLBSA-N 1 0 240.416 4.107 10 0 BIAERO CCC[NH2+][C@@H](CCc1ccc(CC)cc1)C(C)C ZINC000070941137 169279634 /nfs/dbraw/zinc/27/96/34/169279634.db2.gz JZCMWCBNILPKNU-KRWDZBQOSA-N 1 0 247.426 4.206 10 0 BIAERO CCC[NH2+][C@H](CCc1ccc(CC)cc1)C(C)C ZINC000070941138 169289336 /nfs/dbraw/zinc/28/93/36/169289336.db2.gz JZCMWCBNILPKNU-QGZVFWFLSA-N 1 0 247.426 4.206 10 0 BIAERO CC[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCC[C@H](C)C1 ZINC000070941399 170163797 /nfs/dbraw/zinc/16/37/97/170163797.db2.gz ONBHVSSJAGSSKZ-JGGQBBKZSA-N 1 0 249.373 4.303 10 0 BIAERO CC[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCC[C@H](C)C1 ZINC000070941401 170163966 /nfs/dbraw/zinc/16/39/66/170163966.db2.gz ONBHVSSJAGSSKZ-DUVNUKRYSA-N 1 0 249.373 4.303 10 0 BIAERO CC[C@H]1CCCC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000070978350 171609590 /nfs/dbraw/zinc/60/95/90/171609590.db2.gz LPRXQSKEIXWGNI-HOTGVXAUSA-N 1 0 235.415 4.435 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@@H]1CC1CCCC1 ZINC000071084048 169281803 /nfs/dbraw/zinc/28/18/03/169281803.db2.gz QLPFWNXAJGJMCG-HUUCEWRRSA-N 1 0 223.404 4.125 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@@H]1CC1CCCC1 ZINC000071084049 169291121 /nfs/dbraw/zinc/29/11/21/169291121.db2.gz QLPFWNXAJGJMCG-CABCVRRESA-N 1 0 223.404 4.125 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@H]1CC1CCCC1 ZINC000071084050 169281956 /nfs/dbraw/zinc/28/19/56/169281956.db2.gz QLPFWNXAJGJMCG-LSDHHAIUSA-N 1 0 223.404 4.125 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@H]1CC1CCCC1 ZINC000071084051 169290791 /nfs/dbraw/zinc/29/07/91/169290791.db2.gz QLPFWNXAJGJMCG-GJZGRUSLSA-N 1 0 223.404 4.125 10 0 BIAERO Cc1cccc(C2CC([NH2+][C@@H]3CCC[C@@H]3C)C2)c1 ZINC000071206382 187275645 /nfs/dbraw/zinc/27/56/45/187275645.db2.gz NKYJNWWVZYMIDH-YJNKEBTESA-N 1 0 243.394 4.019 10 0 BIAERO Cc1cccc(C2CC([NH2+][C@H]3CCC[C@@H]3C)C2)c1 ZINC000071206383 188130428 /nfs/dbraw/zinc/13/04/28/188130428.db2.gz NKYJNWWVZYMIDH-LYAPFXNSSA-N 1 0 243.394 4.019 10 0 BIAERO Cc1cccc(C2CC([NH2+][C@@H]3CCC[C@H]3C)C2)c1 ZINC000071206384 187275555 /nfs/dbraw/zinc/27/55/55/187275555.db2.gz NKYJNWWVZYMIDH-LHUBUQBQSA-N 1 0 243.394 4.019 10 0 BIAERO Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000071206990 179062358 /nfs/dbraw/zinc/06/23/58/179062358.db2.gz PLRUSFQATVBORF-ZMSDIMECSA-N 1 0 245.410 4.094 10 0 BIAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000071206991 179062154 /nfs/dbraw/zinc/06/21/54/179062154.db2.gz PLRUSFQATVBORF-YQQAZPJKSA-N 1 0 245.410 4.094 10 0 BIAERO Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000071206992 179061845 /nfs/dbraw/zinc/06/18/45/179061845.db2.gz PLRUSFQATVBORF-UXLLHSPISA-N 1 0 245.410 4.094 10 0 BIAERO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000071206993 179061512 /nfs/dbraw/zinc/06/15/12/179061512.db2.gz PLRUSFQATVBORF-ZOBUZTSGSA-N 1 0 245.410 4.094 10 0 BIAERO CCCC[C@H]([NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000071424420 169009266 /nfs/dbraw/zinc/00/92/66/169009266.db2.gz MBQLFVUDLNXFKL-HNNXBMFYSA-N 1 0 233.399 4.044 10 0 BIAERO CCCC[C@@H]([NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000071424421 168970171 /nfs/dbraw/zinc/97/01/71/168970171.db2.gz MBQLFVUDLNXFKL-OAHLLOKOSA-N 1 0 233.399 4.044 10 0 BIAERO CC(C)c1ccc([C@H](C)CCCC[NH3+])cc1 ZINC000071522066 167617589 /nfs/dbraw/zinc/61/75/89/167617589.db2.gz CTXKMXIQZUXYEC-CYBMUJFWSA-N 1 0 219.372 4.043 10 0 BIAERO CC[C@@H](C)c1ccc([C@@H](C)CCC[NH3+])cc1 ZINC000071522097 170804296 /nfs/dbraw/zinc/80/42/96/170804296.db2.gz HRHZDWOFOGEOOP-OLZOCXBDSA-N 1 0 219.372 4.043 10 0 BIAERO CC[C@@H](C)c1ccc([C@H](C)CCC[NH3+])cc1 ZINC000071522099 170805085 /nfs/dbraw/zinc/80/50/85/170805085.db2.gz HRHZDWOFOGEOOP-CHWSQXEVSA-N 1 0 219.372 4.043 10 0 BIAERO Cc1cc(C)c([C@H]([NH3+])CC(C)(C)C)cc1C ZINC000071522119 177875518 /nfs/dbraw/zinc/87/55/18/177875518.db2.gz LFAPMHGCDXUPTJ-CQSZACIVSA-N 1 0 219.372 4.048 10 0 BIAERO CCc1ccc(/C(=C/CCC[NH3+])C(C)C)cc1 ZINC000071535621 171781565 /nfs/dbraw/zinc/78/15/65/171781565.db2.gz JTFGRTFDNGWXAO-FRKPEAEDSA-N 1 0 231.383 4.027 10 0 BIAERO CCCc1ccc(/C(=C/CC[NH3+])C(C)C)cc1 ZINC000071535642 169569128 /nfs/dbraw/zinc/56/91/28/169569128.db2.gz VDCGICYVADHTME-FRKPEAEDSA-N 1 0 231.383 4.027 10 0 BIAERO CC[C@H](C)c1ccc(/C(C)=C/CCC[NH3+])cc1 ZINC000071535648 171409632 /nfs/dbraw/zinc/40/96/32/171409632.db2.gz ZGIIZFXXEWOTAP-PZMUVPOTSA-N 1 0 231.383 4.342 10 0 BIAERO CC(C)c1ccc(C2([NH3+])CCC(C)CC2)cc1 ZINC000071535682 168159586 /nfs/dbraw/zinc/15/95/86/168159586.db2.gz WLWNLDMVIGNNRH-UHFFFAOYSA-N 1 0 231.383 4.174 10 0 BIAERO CC(C)c1ccc([C@H](CCC[NH3+])C(C)C)cc1 ZINC000071543196 167618303 /nfs/dbraw/zinc/61/83/03/167618303.db2.gz GREGFVPAVVTRFG-MRXNPFEDSA-N 1 0 233.399 4.289 10 0 BIAERO Cc1ccc([C@@H](CCCC[NH3+])C(C)C)c(C)c1 ZINC000071543209 178853695 /nfs/dbraw/zinc/85/36/95/178853695.db2.gz RMAWYBUVODTAOJ-HNNXBMFYSA-N 1 0 233.399 4.172 10 0 BIAERO [NH3+]C1(c2ccc(-c3ccccc3)cc2)CCCC1 ZINC000071548435 181334116 /nfs/dbraw/zinc/33/41/16/181334116.db2.gz PODSZGFVXIEKEQ-UHFFFAOYSA-N 1 0 237.346 4.082 10 0 BIAERO Cc1cc([C@@H](CCCC[NH3+])C(C)C)ccc1F ZINC000071548461 178234975 /nfs/dbraw/zinc/23/49/75/178234975.db2.gz KLMRFHMBEROPAT-AWEZNQCLSA-N 1 0 237.362 4.003 10 0 BIAERO Cc1cc([C@H](CCCC[NH3+])C(C)C)ccc1F ZINC000071548462 178261387 /nfs/dbraw/zinc/26/13/87/178261387.db2.gz KLMRFHMBEROPAT-CQSZACIVSA-N 1 0 237.362 4.003 10 0 BIAERO CC(C)[C@@H](CCCC[NH3+])c1ccc(Cl)cc1 ZINC000071549963 167389404 /nfs/dbraw/zinc/38/94/04/167389404.db2.gz NIJSEHSHQPQPRT-CQSZACIVSA-N 1 0 239.790 4.209 10 0 BIAERO CC(C)[C@H](CCCC[NH3+])c1ccc(Cl)cc1 ZINC000071549964 188306240 /nfs/dbraw/zinc/30/62/40/188306240.db2.gz NIJSEHSHQPQPRT-AWEZNQCLSA-N 1 0 239.790 4.209 10 0 BIAERO CC(C)[C@@H](CCCC[NH3+])c1c[nH]c2ccccc21 ZINC000071559421 167390052 /nfs/dbraw/zinc/39/00/52/167390052.db2.gz DEEPXLWDGZACTA-CYBMUJFWSA-N 1 0 244.382 4.037 10 0 BIAERO CC(C)[C@H](CCCC[NH3+])c1c[nH]c2ccccc21 ZINC000071559422 187275722 /nfs/dbraw/zinc/27/57/22/187275722.db2.gz DEEPXLWDGZACTA-ZDUSSCGKSA-N 1 0 244.382 4.037 10 0 BIAERO CCCCc1ccc(CC2(C[NH3+])CCCC2)cc1 ZINC000071560211 169020614 /nfs/dbraw/zinc/02/06/14/169020614.db2.gz FLYDMILRNHUESR-UHFFFAOYSA-N 1 0 245.410 4.091 10 0 BIAERO CCCCc1ccc([C@@H](C[NH3+])C2CCCC2)cc1 ZINC000071560213 169022501 /nfs/dbraw/zinc/02/25/01/169022501.db2.gz CTJKEJBJRVOGHN-KRWDZBQOSA-N 1 0 245.410 4.262 10 0 BIAERO CCCCc1ccc([C@H](C[NH3+])C2CCCC2)cc1 ZINC000071560214 169023722 /nfs/dbraw/zinc/02/37/22/169023722.db2.gz CTJKEJBJRVOGHN-QGZVFWFLSA-N 1 0 245.410 4.262 10 0 BIAERO CC(C)[C@@H](CCCC[NH3+])c1ccc2c(c1)CCC2 ZINC000071560215 167389309 /nfs/dbraw/zinc/38/93/09/167389309.db2.gz JIPJTWXFAUBVNF-QGZVFWFLSA-N 1 0 245.410 4.044 10 0 BIAERO CC1CCC([NH3+])(c2ccc(C(C)(C)C)cc2)CC1 ZINC000071560263 168159542 /nfs/dbraw/zinc/15/95/42/168159542.db2.gz VIAGFMMSUAOZGI-UHFFFAOYSA-N 1 0 245.410 4.348 10 0 BIAERO CC(C)[C@@H](CCCC[NH3+])c1ccc(Cl)s1 ZINC000071560316 167390450 /nfs/dbraw/zinc/39/04/50/167390450.db2.gz AYBZOVADSHTDRQ-SNVBAGLBSA-N 1 0 245.819 4.270 10 0 BIAERO CCCCOc1ccc([C@H]([NH3+])C2CCCC2)cc1 ZINC000071562311 188306437 /nfs/dbraw/zinc/30/64/37/188306437.db2.gz LIRPYHFOEHPPAE-MRXNPFEDSA-N 1 0 247.382 4.056 10 0 BIAERO CC(C)[C@@H](CCC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000071562543 167390552 /nfs/dbraw/zinc/39/05/52/167390552.db2.gz XYCPSIDPRNHQKL-MRXNPFEDSA-N 1 0 247.426 4.463 10 0 BIAERO Cc1cc(C)c([C@@H](CCCC[NH3+])C(C)C)c(C)c1 ZINC000071562559 177871723 /nfs/dbraw/zinc/87/17/23/177871723.db2.gz GGMTURWUVUMZDD-INIZCTEOSA-N 1 0 247.426 4.480 10 0 BIAERO C[C@H]([NH3+])c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000071781952 487802932 /nfs/dbraw/zinc/80/29/32/487802932.db2.gz FRUSEOJPJNOLEC-NSHDSACASA-N 1 0 231.383 4.055 10 0 BIAERO C[C@@H]([NH3+])c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000071781953 175817976 /nfs/dbraw/zinc/81/79/76/175817976.db2.gz FRUSEOJPJNOLEC-LLVKDONJSA-N 1 0 231.383 4.055 10 0 BIAERO CCCCC[C@H](CC)[NH2+]Cc1ccccc1 ZINC000075423304 168744986 /nfs/dbraw/zinc/74/49/86/168744986.db2.gz MZIWBZQTSPJMJN-HNNXBMFYSA-N 1 0 219.372 4.135 10 0 BIAERO Cc1ccc(C[C@@H]([NH3+])CC2CCCCC2)cc1C ZINC000075819071 178646840 /nfs/dbraw/zinc/64/68/40/178646840.db2.gz SNBADNLVHMGPIA-KRWDZBQOSA-N 1 0 245.410 4.144 10 0 BIAERO Cc1cccc(CCC[NH2+]C2CCCCCC2)c1 ZINC000076277444 179055374 /nfs/dbraw/zinc/05/53/74/179055374.db2.gz PPWOCZLGJAZNPP-UHFFFAOYSA-N 1 0 245.410 4.240 10 0 BIAERO CCCCc1ccc([C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000076615647 169021625 /nfs/dbraw/zinc/02/16/25/169021625.db2.gz OFOGIJSAXXIZGW-OAHLLOKOSA-N 1 0 233.399 4.118 10 0 BIAERO CCCCc1ccc([C@H](C[NH3+])C(C)(C)C)cc1 ZINC000076615649 169023182 /nfs/dbraw/zinc/02/31/82/169023182.db2.gz OFOGIJSAXXIZGW-HNNXBMFYSA-N 1 0 233.399 4.118 10 0 BIAERO CC[C@@H](CC[NH3+])c1ccc(SC(C)C)cc1 ZINC000076620214 170816045 /nfs/dbraw/zinc/81/60/45/170816045.db2.gz VCZBYMRHWVTPGP-LBPRGKRZSA-N 1 0 237.412 4.030 10 0 BIAERO CC[C@H](CC[NH3+])c1ccc(SC(C)C)cc1 ZINC000076620219 171423998 /nfs/dbraw/zinc/42/39/98/171423998.db2.gz VCZBYMRHWVTPGP-GFCCVEGCSA-N 1 0 237.412 4.030 10 0 BIAERO CC[C@H](C)c1ccc([C@@H](CC[NH3+])C2CCC2)cc1 ZINC000076630204 171411799 /nfs/dbraw/zinc/41/17/99/171411799.db2.gz DKRXJTJHQXXUJR-GUYCJALGSA-N 1 0 245.410 4.433 10 0 BIAERO CC[C@@H](C)c1ccc([C@H](CC[NH3+])C2CCC2)cc1 ZINC000076630210 170804824 /nfs/dbraw/zinc/80/48/24/170804824.db2.gz DKRXJTJHQXXUJR-CXAGYDPISA-N 1 0 245.410 4.433 10 0 BIAERO CCSc1ccc([C@@H](CC[NH3+])C2CCC2)cc1 ZINC000076653852 170655480 /nfs/dbraw/zinc/65/54/80/170655480.db2.gz ZJTVNIZVTISEAX-HNNXBMFYSA-N 1 0 249.423 4.031 10 0 BIAERO CCSc1ccc([C@H](CC[NH3+])C2CCC2)cc1 ZINC000076653854 170655408 /nfs/dbraw/zinc/65/54/08/170655408.db2.gz ZJTVNIZVTISEAX-OAHLLOKOSA-N 1 0 249.423 4.031 10 0 BIAERO Cc1ccc(C[NH2+]C2CCC(C)(C)CC2)c(C)c1 ZINC000076690190 178602413 /nfs/dbraw/zinc/60/24/13/178602413.db2.gz KUVCXMKUNGKWLP-UHFFFAOYSA-N 1 0 245.410 4.362 10 0 BIAERO CC(C)[NH2+]Cc1oc2ccccc2c1C(C)C ZINC000077068052 167124066 /nfs/dbraw/zinc/12/40/66/167124066.db2.gz RQOKOUBDVIJVBF-UHFFFAOYSA-N 1 0 231.339 4.054 10 0 BIAERO CCC[NH2+]Cc1oc2ccccc2c1C(C)C ZINC000077068053 169269338 /nfs/dbraw/zinc/26/93/38/169269338.db2.gz BBXBJACIJLFQIG-UHFFFAOYSA-N 1 0 231.339 4.056 10 0 BIAERO CC(C)C[NH2+]Cc1oc2ccccc2c1C(C)C ZINC000077068056 167009877 /nfs/dbraw/zinc/00/98/77/167009877.db2.gz KAUFLXXWAXAWMA-UHFFFAOYSA-N 1 0 245.366 4.302 10 0 BIAERO CC(C)C[NH2+]Cc1oc2ccccc2c1C1CC1 ZINC000077068305 167010525 /nfs/dbraw/zinc/01/05/25/167010525.db2.gz QPNMLJKUNFOROP-UHFFFAOYSA-N 1 0 243.350 4.056 10 0 BIAERO Cc1cccc2c1oc(C[NH2+]C(C)C)c2C(C)C ZINC000077068653 179209850 /nfs/dbraw/zinc/20/98/50/179209850.db2.gz DLNNYJAACLJYPQ-UHFFFAOYSA-N 1 0 245.366 4.363 10 0 BIAERO CCC[NH2+]Cc1oc2c(cccc2C)c1C(C)C ZINC000077068654 169269727 /nfs/dbraw/zinc/26/97/27/169269727.db2.gz IVAVRQKCDDVTLI-UHFFFAOYSA-N 1 0 245.366 4.364 10 0 BIAERO Cc1cccc2c1oc(C[NH2+]C1CC1)c2C(C)C ZINC000077068655 179209354 /nfs/dbraw/zinc/20/93/54/179209354.db2.gz MGSANBDBZDWFCO-UHFFFAOYSA-N 1 0 243.350 4.117 10 0 BIAERO CC[NH2+]Cc1oc2c(cccc2C)c1C(C)(C)C ZINC000077068709 170131926 /nfs/dbraw/zinc/13/19/26/170131926.db2.gz YSYWGERCKHYWIE-UHFFFAOYSA-N 1 0 245.366 4.148 10 0 BIAERO CCCc1c2cccc(C)c2oc1C[NH2+]C(C)C ZINC000077068754 169561049 /nfs/dbraw/zinc/56/10/49/169561049.db2.gz ZNYWNLVSEJCUJQ-UHFFFAOYSA-N 1 0 245.366 4.192 10 0 BIAERO Cc1cccc2c1oc(C[NH2+]C(C)C)c2C1CC1 ZINC000077068812 179209031 /nfs/dbraw/zinc/20/90/31/179209031.db2.gz CRQWNQIKBZZEHZ-UHFFFAOYSA-N 1 0 243.350 4.117 10 0 BIAERO CCC[NH2+]Cc1oc2c(cccc2C)c1C1CC1 ZINC000077068813 169270020 /nfs/dbraw/zinc/27/00/20/169270020.db2.gz QCIUPOJIEWGTOC-UHFFFAOYSA-N 1 0 243.350 4.118 10 0 BIAERO CC[NH2+]Cc1oc2c(cccc2Cl)c1C1CC1 ZINC000077069043 170132024 /nfs/dbraw/zinc/13/20/24/170132024.db2.gz GPIAHKWYEZZYCY-UHFFFAOYSA-N 1 0 249.741 4.073 10 0 BIAERO CCC[NH2+]Cc1oc2ccc(C)cc2c1CCC ZINC000077069429 169269041 /nfs/dbraw/zinc/26/90/41/169269041.db2.gz KNDVFUBEJGKVGZ-UHFFFAOYSA-N 1 0 245.366 4.193 10 0 BIAERO CCC[NH2+]Cc1oc2ccc(C)cc2c1C(C)C ZINC000077069485 169268984 /nfs/dbraw/zinc/26/89/84/169268984.db2.gz FDDAWGKMVOGOFA-UHFFFAOYSA-N 1 0 245.366 4.364 10 0 BIAERO CCC[NH2+]Cc1oc2ccc(C)cc2c1C1CC1 ZINC000077069540 169269181 /nfs/dbraw/zinc/26/91/81/169269181.db2.gz JOZQUKXFAJSSNL-UHFFFAOYSA-N 1 0 243.350 4.118 10 0 BIAERO CC[NH2+]Cc1oc2ccc(C)cc2c1C(C)(C)C ZINC000077069593 170131288 /nfs/dbraw/zinc/13/12/88/170131288.db2.gz FBXKNBKSXKNCBS-UHFFFAOYSA-N 1 0 245.366 4.148 10 0 BIAERO CC[NH2+]Cc1oc2ccc(Cl)cc2c1C1CC1 ZINC000077069849 170131299 /nfs/dbraw/zinc/13/12/99/170131299.db2.gz RXEIUJUPZIDCEL-UHFFFAOYSA-N 1 0 249.741 4.073 10 0 BIAERO Cc1c2ccc(C)c(C)c2oc1C[NH2+]CC(C)C ZINC000077070065 178939245 /nfs/dbraw/zinc/93/92/45/178939245.db2.gz DMNIHNVZKVKHMB-UHFFFAOYSA-N 1 0 245.366 4.104 10 0 BIAERO CCC[NH2+]Cc1oc2c(ccc(C)c2C)c1CC ZINC000077070134 169268897 /nfs/dbraw/zinc/26/88/97/169268897.db2.gz YBRNPTDAEJWGQL-UHFFFAOYSA-N 1 0 245.366 4.112 10 0 BIAERO CC[NH2+]Cc1oc2c(ccc(C)c2C)c1C1CC1 ZINC000077070266 170131295 /nfs/dbraw/zinc/13/12/95/170131295.db2.gz YUINIXLQMUBCEW-UHFFFAOYSA-N 1 0 243.350 4.037 10 0 BIAERO CCC[NH2+]Cc1oc2ccc(CC)cc2c1CC ZINC000077070494 169268959 /nfs/dbraw/zinc/26/89/59/169268959.db2.gz QKCGAPCDOIYMNH-UHFFFAOYSA-N 1 0 245.366 4.057 10 0 BIAERO CC[NH2+]Cc1oc2ccc(CC)cc2c1C(C)C ZINC000077070549 170132002 /nfs/dbraw/zinc/13/20/02/170132002.db2.gz NNKXFJWOJNMUFW-UHFFFAOYSA-N 1 0 245.366 4.228 10 0 BIAERO CCC[NH2+]Cc1oc2c(cc(C)cc2C)c1CC ZINC000077070857 169269219 /nfs/dbraw/zinc/26/92/19/169269219.db2.gz JWYSEZHCIGXUSR-UHFFFAOYSA-N 1 0 245.366 4.112 10 0 BIAERO CC[NH2+]Cc1oc2c(cc(C)cc2C)c1C(C)C ZINC000077070911 170131356 /nfs/dbraw/zinc/13/13/56/170131356.db2.gz JQLFMDSHWKTAIB-UHFFFAOYSA-N 1 0 245.366 4.283 10 0 BIAERO CC[NH2+]Cc1oc2c(cc(C)cc2C)c1C1CC1 ZINC000077070993 170132079 /nfs/dbraw/zinc/13/20/79/170132079.db2.gz QPAKLZMQORZBDE-UHFFFAOYSA-N 1 0 243.350 4.037 10 0 BIAERO C[NH2+]Cc1oc2c(cc(C)cc2C)c1C(C)(C)C ZINC000077071035 173399904 /nfs/dbraw/zinc/39/99/04/173399904.db2.gz WMVVFXVXLMHXSK-UHFFFAOYSA-N 1 0 245.366 4.067 10 0 BIAERO CCC[NH2+]Cc1oc2cc(C)cc(C)c2c1CC ZINC000077071215 169269489 /nfs/dbraw/zinc/26/94/89/169269489.db2.gz GYJQFKBHMCEZKA-UHFFFAOYSA-N 1 0 245.366 4.112 10 0 BIAERO CC[NH2+]Cc1oc2cc(C)cc(C)c2c1C(C)C ZINC000077071273 170131676 /nfs/dbraw/zinc/13/16/76/170131676.db2.gz DUPMFKFLOZBHTJ-UHFFFAOYSA-N 1 0 245.366 4.283 10 0 BIAERO CC[NH2+]Cc1oc2cc(C)cc(C)c2c1C1CC1 ZINC000077071363 170131765 /nfs/dbraw/zinc/13/17/65/170131765.db2.gz PPELAYUPYVNPPU-UHFFFAOYSA-N 1 0 243.350 4.037 10 0 BIAERO C[NH2+]Cc1oc2cc(C)cc(C)c2c1C(C)(C)C ZINC000077071409 173399463 /nfs/dbraw/zinc/39/94/63/173399463.db2.gz HEJPCZAIELKDQW-UHFFFAOYSA-N 1 0 245.366 4.067 10 0 BIAERO CC[NH2+]Cc1oc2c(ccc3ccccc23)c1C ZINC000077072075 170131318 /nfs/dbraw/zinc/13/13/18/170131318.db2.gz LQRWPIZWBYSFOE-UHFFFAOYSA-N 1 0 239.318 4.004 10 0 BIAERO CC[C@@H](C)c1ccc(CCC(C)(C)C[NH3+])cc1 ZINC000077367713 170804100 /nfs/dbraw/zinc/80/41/00/170804100.db2.gz XWSOWKDXQKIUFB-CYBMUJFWSA-N 1 0 233.399 4.118 10 0 BIAERO C[C@@H]1CCC[C@@]1(C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000077400266 176133560 /nfs/dbraw/zinc/13/35/60/176133560.db2.gz GFKCTZGPCVFYMA-DYVFJYSZSA-N 1 0 245.410 4.001 10 0 BIAERO C[C@H]1CCC[C@@]1(C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000077400269 177128447 /nfs/dbraw/zinc/12/84/47/177128447.db2.gz GFKCTZGPCVFYMA-GUYCJALGSA-N 1 0 245.410 4.001 10 0 BIAERO C[C@@H]1CCC[C@]1(C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000077400272 176152510 /nfs/dbraw/zinc/15/25/10/176152510.db2.gz GFKCTZGPCVFYMA-CXAGYDPISA-N 1 0 245.410 4.001 10 0 BIAERO C[C@H]1CCC[C@]1(C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000077400277 177144533 /nfs/dbraw/zinc/14/45/33/177144533.db2.gz GFKCTZGPCVFYMA-SUMWQHHRSA-N 1 0 245.410 4.001 10 0 BIAERO CC(C)c1ccc(C2(C[NH3+])CCC(C)CC2)cc1 ZINC000077400291 168154193 /nfs/dbraw/zinc/15/41/93/168154193.db2.gz CPHOAVPUKMKJIQ-UHFFFAOYSA-N 1 0 245.410 4.217 10 0 BIAERO Cc1ccc(C(C)C)cc1[C@@H](C)CC[NH2+]C1CC1 ZINC000077400382 178454937 /nfs/dbraw/zinc/45/49/37/178454937.db2.gz BJRGMDSRUUICLK-AWEZNQCLSA-N 1 0 245.410 4.364 10 0 BIAERO Cc1ccc(C(C)C)cc1[C@H](C)CC[NH2+]C1CC1 ZINC000077400385 178455944 /nfs/dbraw/zinc/45/59/44/178455944.db2.gz BJRGMDSRUUICLK-CQSZACIVSA-N 1 0 245.410 4.364 10 0 BIAERO [NH3+]CCC(C1CCCCC1)C1CCCCC1 ZINC000077869784 342841411 /nfs/dbraw/zinc/84/14/11/342841411.db2.gz BCDKZHDDAHIJKY-UHFFFAOYSA-N 1 0 223.404 4.112 10 0 BIAERO c1ccc(CC2=[NH+]CCC[C@@H]2c2ccccc2)cc1 ZINC000078684664 342865509 /nfs/dbraw/zinc/86/55/09/342865509.db2.gz LPYJYNGQAQWWPJ-QGZVFWFLSA-N 1 0 249.357 4.248 10 0 BIAERO c1ccc(CC2=[NH+]CCC[C@H]2c2ccccc2)cc1 ZINC000078684665 342865522 /nfs/dbraw/zinc/86/55/22/342865522.db2.gz LPYJYNGQAQWWPJ-KRWDZBQOSA-N 1 0 249.357 4.248 10 0 BIAERO CCC[C@@H]([NH3+])c1ccc(Cc2ccccc2)cc1 ZINC000080180412 169393387 /nfs/dbraw/zinc/39/33/87/169393387.db2.gz CUFBUESBCXOMQS-QGZVFWFLSA-N 1 0 239.362 4.077 10 0 BIAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000080460179 135374716 /nfs/dbraw/zinc/37/47/16/135374716.db2.gz DIIYPHWOKHAYGP-YUTCNCBUSA-N 1 0 235.371 4.126 10 0 BIAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000080460184 135374820 /nfs/dbraw/zinc/37/48/20/135374820.db2.gz DIIYPHWOKHAYGP-IACUBPJLSA-N 1 0 235.371 4.126 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C3CC3)C2)o1 ZINC000081631753 388587178 /nfs/dbraw/zinc/58/71/78/388587178.db2.gz HTCWOFWBPAAPQD-AEGPPILISA-N 1 0 247.382 4.207 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C3CC3)C2)o1 ZINC000081631761 325511238 /nfs/dbraw/zinc/51/12/38/325511238.db2.gz HTCWOFWBPAAPQD-QEJZJMRPSA-N 1 0 247.382 4.207 10 0 BIAERO c1ccc(-c2cccc([C@@H]3CCCC[NH2+]3)c2)cc1 ZINC000082112199 644357894 /nfs/dbraw/zinc/35/78/94/644357894.db2.gz COSSCBURNNOXOO-KRWDZBQOSA-N 1 0 237.346 4.168 10 0 BIAERO c1ccc(-c2cccc([C@H]3CCCC[NH2+]3)c2)cc1 ZINC000082112200 644357112 /nfs/dbraw/zinc/35/71/12/644357112.db2.gz COSSCBURNNOXOO-QGZVFWFLSA-N 1 0 237.346 4.168 10 0 BIAERO CCC(CC)(C[NH2+]C)c1ccc(C(C)(C)C)cc1 ZINC000082294701 168325610 /nfs/dbraw/zinc/32/56/10/168325610.db2.gz ATVJOIXKSRMQGD-UHFFFAOYSA-N 1 0 247.426 4.261 10 0 BIAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1CCC(C)C ZINC000082434092 169281992 /nfs/dbraw/zinc/28/19/92/169281992.db2.gz NDFBWVLSFOAKGE-HUUCEWRRSA-N 1 0 225.420 4.371 10 0 BIAERO CCC[NH2+][C@H]1CCCCC[C@@H]1CCC(C)C ZINC000082434093 169290840 /nfs/dbraw/zinc/29/08/40/169290840.db2.gz NDFBWVLSFOAKGE-CABCVRRESA-N 1 0 225.420 4.371 10 0 BIAERO CCC[NH2+][C@@H]1CCCCC[C@H]1CCC(C)C ZINC000082434094 169282028 /nfs/dbraw/zinc/28/20/28/169282028.db2.gz NDFBWVLSFOAKGE-LSDHHAIUSA-N 1 0 225.420 4.371 10 0 BIAERO CCC[NH2+][C@H]1CCCCC[C@H]1CCC(C)C ZINC000082434095 169290672 /nfs/dbraw/zinc/29/06/72/169290672.db2.gz NDFBWVLSFOAKGE-GJZGRUSLSA-N 1 0 225.420 4.371 10 0 BIAERO CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1CCC(C)C ZINC000082434138 170153193 /nfs/dbraw/zinc/15/31/93/170153193.db2.gz UZEWVBNUCLOBBE-RBSFLKMASA-N 1 0 225.420 4.227 10 0 BIAERO CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1CCC(C)C ZINC000082434139 170153372 /nfs/dbraw/zinc/15/33/72/170153372.db2.gz UZEWVBNUCLOBBE-RRFJBIMHSA-N 1 0 225.420 4.227 10 0 BIAERO CCC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1CC ZINC000082434186 169283359 /nfs/dbraw/zinc/28/33/59/169283359.db2.gz BPXAQETUPLHTBB-MELADBBJSA-N 1 0 225.420 4.227 10 0 BIAERO CCC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1CC ZINC000082434187 169293046 /nfs/dbraw/zinc/29/30/46/169293046.db2.gz BPXAQETUPLHTBB-IHRRRGAJSA-N 1 0 225.420 4.227 10 0 BIAERO CCC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CC ZINC000082434189 169292548 /nfs/dbraw/zinc/29/25/48/169292548.db2.gz BPXAQETUPLHTBB-MJBXVCDLSA-N 1 0 225.420 4.227 10 0 BIAERO CC(C)CC[C@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000082434227 166914680 /nfs/dbraw/zinc/91/46/80/166914680.db2.gz MCJNNVXTKOQNSG-DZGCQCFKSA-N 1 0 225.420 4.356 10 0 BIAERO CC[NH2+][C@@H](CC1CCCC1)C1CCCCC1 ZINC000082434276 170144279 /nfs/dbraw/zinc/14/42/79/170144279.db2.gz RSNQOUQTLWKIHO-HNNXBMFYSA-N 1 0 223.404 4.125 10 0 BIAERO CC[NH2+][C@H](CC1CCCC1)C1CCCCC1 ZINC000082434277 170161609 /nfs/dbraw/zinc/16/16/09/170161609.db2.gz RSNQOUQTLWKIHO-OAHLLOKOSA-N 1 0 223.404 4.125 10 0 BIAERO CCC[NH2+][C@@H](CCC(C)C)C1CCCCC1 ZINC000082434280 169277709 /nfs/dbraw/zinc/27/77/09/169277709.db2.gz HCQTXUZEOBXNLQ-HNNXBMFYSA-N 1 0 225.420 4.371 10 0 BIAERO CCC[NH2+][C@H](CCC(C)C)C1CCCCC1 ZINC000082434281 169289039 /nfs/dbraw/zinc/28/90/39/169289039.db2.gz HCQTXUZEOBXNLQ-OAHLLOKOSA-N 1 0 225.420 4.371 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)C1CCC(C)CC1 ZINC000082434317 170145399 /nfs/dbraw/zinc/14/53/99/170145399.db2.gz XVMDSEXSYYZRPG-NRXISQOPSA-N 1 0 225.420 4.227 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)C1CCC(C)CC1 ZINC000082434318 170161344 /nfs/dbraw/zinc/16/13/44/170161344.db2.gz XVMDSEXSYYZRPG-YMAMQOFZSA-N 1 0 225.420 4.227 10 0 BIAERO [NH3+]CCC1CCCCCCCCCCC1 ZINC000082438321 181371098 /nfs/dbraw/zinc/37/10/98/181371098.db2.gz ALFHVFYYORSKRS-UHFFFAOYSA-N 1 0 211.393 4.256 10 0 BIAERO CCC[C@@H](C)CC(C)(C)C[NH2+]C(C)(C)C ZINC000082441771 169357852 /nfs/dbraw/zinc/35/78/52/169357852.db2.gz YVKUHQJIAGNURV-GFCCVEGCSA-N 1 0 213.409 4.227 10 0 BIAERO CCC(CC)(C[NH2+]CC(C)C)CC(C)C ZINC000082441849 168325076 /nfs/dbraw/zinc/32/50/76/168325076.db2.gz VKZUJYIQWAAJCB-UHFFFAOYSA-N 1 0 213.409 4.085 10 0 BIAERO CC[C@H](C)C[C@]1(CC)C[C@@H]1C[NH2+]C(C)(C)C ZINC000082441898 171299535 /nfs/dbraw/zinc/29/95/35/171299535.db2.gz KZDQOCUJTRNNMN-GZBFAFLISA-N 1 0 225.420 4.227 10 0 BIAERO CC[C@H](C)C[C@@]1(CC)C[C@@H]1C[NH2+]C(C)(C)C ZINC000082441900 171296477 /nfs/dbraw/zinc/29/64/77/171296477.db2.gz KZDQOCUJTRNNMN-GUTXKFCHSA-N 1 0 225.420 4.227 10 0 BIAERO CC[NH2+][C@@H](Cc1ccccc1)C1CCCCCC1 ZINC000082442004 170146743 /nfs/dbraw/zinc/14/67/43/170146743.db2.gz QOXZRNVAHPHILV-KRWDZBQOSA-N 1 0 245.410 4.178 10 0 BIAERO CC[NH2+][C@H](Cc1ccccc1)C1CCCCCC1 ZINC000082442005 170162697 /nfs/dbraw/zinc/16/26/97/170162697.db2.gz QOXZRNVAHPHILV-QGZVFWFLSA-N 1 0 245.410 4.178 10 0 BIAERO CC[NH2+][C@@H]1CC(C)(C)Oc2ccc(C(C)C)cc21 ZINC000082505148 170149220 /nfs/dbraw/zinc/14/92/20/170149220.db2.gz AZYZSSZLPKDDOW-CQSZACIVSA-N 1 0 247.382 4.022 10 0 BIAERO CC[NH2+][C@H]1CC(C)(C)Oc2ccc(C(C)C)cc21 ZINC000082505149 170165668 /nfs/dbraw/zinc/16/56/68/170165668.db2.gz AZYZSSZLPKDDOW-AWEZNQCLSA-N 1 0 247.382 4.022 10 0 BIAERO C[NH2+]CC1(c2ccc(C(C)C)cc2)CCCCC1 ZINC000082552600 173337702 /nfs/dbraw/zinc/33/77/02/173337702.db2.gz CWPJTZJTWZDDTN-UHFFFAOYSA-N 1 0 245.410 4.231 10 0 BIAERO CC[C@H]([NH3+])c1ccc(SC2CCCC2)cc1 ZINC000082613600 171490699 /nfs/dbraw/zinc/49/06/99/171490699.db2.gz RKJHWFJUOGRCLD-AWEZNQCLSA-N 1 0 235.396 4.131 10 0 BIAERO CC[C@@H]([NH3+])c1ccc(SC2CCCC2)cc1 ZINC000082613601 170870108 /nfs/dbraw/zinc/87/01/08/170870108.db2.gz RKJHWFJUOGRCLD-CQSZACIVSA-N 1 0 235.396 4.131 10 0 BIAERO Cc1ccc(-c2cc([C@@H](C)[NH3+])ccc2F)cc1C ZINC000082706806 178322240 /nfs/dbraw/zinc/32/22/40/178322240.db2.gz ONCBYMHWQCCJHA-GFCCVEGCSA-N 1 0 243.325 4.129 10 0 BIAERO Cc1ccc(-c2cc([C@H](C)[NH3+])ccc2F)cc1C ZINC000082706807 178321098 /nfs/dbraw/zinc/32/10/98/178321098.db2.gz ONCBYMHWQCCJHA-LBPRGKRZSA-N 1 0 243.325 4.129 10 0 BIAERO C[C@H]([NH3+])c1ccc(F)c(-c2ccccc2Cl)c1 ZINC000082706930 176775828 /nfs/dbraw/zinc/77/58/28/176775828.db2.gz NBQGCSSAYOXGPP-VIFPVBQESA-N 1 0 249.716 4.166 10 0 BIAERO C[C@@H]([NH3+])c1ccc(F)c(-c2ccccc2Cl)c1 ZINC000082706931 175816784 /nfs/dbraw/zinc/81/67/84/175816784.db2.gz NBQGCSSAYOXGPP-SECBINFHSA-N 1 0 249.716 4.166 10 0 BIAERO C[C@H]([NH3+])c1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000082708052 176776147 /nfs/dbraw/zinc/77/61/47/176776147.db2.gz OHBIEZQHGFDTTQ-VIFPVBQESA-N 1 0 249.716 4.166 10 0 BIAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc(C)cc2)c1 ZINC000082709493 173448740 /nfs/dbraw/zinc/44/87/40/173448740.db2.gz CZBHQRFWJQMKCE-GFCCVEGCSA-N 1 0 243.325 4.082 10 0 BIAERO CCC[C@@H]([NH3+])c1ccc(Cl)c2ccccc21 ZINC000082722076 169393538 /nfs/dbraw/zinc/39/35/38/169393538.db2.gz YDMZLPQDJABGCR-CQSZACIVSA-N 1 0 233.742 4.293 10 0 BIAERO Cc1cccc([C@@H](C[NH3+])C2CCCCCC2)c1 ZINC000083074657 187283733 /nfs/dbraw/zinc/28/37/33/187283733.db2.gz WUYGRPCDTHMFNK-INIZCTEOSA-N 1 0 231.383 4.008 10 0 BIAERO Cc1cccc([C@H](C[NH3+])C2CCCCCC2)c1 ZINC000083074659 179199100 /nfs/dbraw/zinc/19/91/00/179199100.db2.gz WUYGRPCDTHMFNK-MRXNPFEDSA-N 1 0 231.383 4.008 10 0 BIAERO Cc1ccccc1[C@H](C[NH3+])C1CCCCCC1 ZINC000083074663 179341568 /nfs/dbraw/zinc/34/15/68/179341568.db2.gz DNBICZCHPQZNFX-MRXNPFEDSA-N 1 0 231.383 4.008 10 0 BIAERO CC[C@H]([NH3+])c1c(Cl)ccc(Cl)c1Cl ZINC000083158971 171490166 /nfs/dbraw/zinc/49/01/66/171490166.db2.gz LKDRUCUPXXACQE-ZETCQYMHSA-N 1 0 238.545 4.057 10 0 BIAERO Cc1cccc(C)c1C[NH2+]C1CCCCCC1 ZINC000083358375 179037859 /nfs/dbraw/zinc/03/78/59/179037859.db2.gz KSFRFRZJWOMPSG-UHFFFAOYSA-N 1 0 231.383 4.116 10 0 BIAERO CCC(CC)C[NH2+]Cc1ccc(F)cc1Cl ZINC000083372194 168362003 /nfs/dbraw/zinc/36/20/03/168362003.db2.gz IEZJTZOZPGIAOH-UHFFFAOYSA-N 1 0 243.753 4.005 10 0 BIAERO CCC(CC)C[NH2+]Cc1cc(Cl)ccc1F ZINC000083372198 168362307 /nfs/dbraw/zinc/36/23/07/168362307.db2.gz RACIKEAWOBQPEF-UHFFFAOYSA-N 1 0 243.753 4.005 10 0 BIAERO CCCOc1cccc(C[NH2+]CC(CC)CC)c1 ZINC000083381723 169324927 /nfs/dbraw/zinc/32/49/27/169324927.db2.gz UPDLJBHBSPGUCK-UHFFFAOYSA-N 1 0 249.398 4.001 10 0 BIAERO Cc1cc(Cl)cc2cc([C@H]([NH3+])C(C)C)oc21 ZINC000083821326 538523983 /nfs/dbraw/zinc/52/39/83/538523983.db2.gz YBOVCXYUNBSRBY-GFCCVEGCSA-N 1 0 237.730 4.050 10 0 BIAERO Cc1cc(Cl)cc2cc([C@@H]([NH3+])C(C)C)oc21 ZINC000083821327 538523820 /nfs/dbraw/zinc/52/38/20/538523820.db2.gz YBOVCXYUNBSRBY-LBPRGKRZSA-N 1 0 237.730 4.050 10 0 BIAERO CCC[C@H]([NH3+])c1cc2cc(Cl)cc(C)c2o1 ZINC000083821333 538523910 /nfs/dbraw/zinc/52/39/10/538523910.db2.gz NBVAOTJGQWQUPZ-NSHDSACASA-N 1 0 237.730 4.195 10 0 BIAERO CCC[C@@H]([NH3+])c1cc2cc(Cl)cc(C)c2o1 ZINC000083821335 538524881 /nfs/dbraw/zinc/52/48/81/538524881.db2.gz NBVAOTJGQWQUPZ-LLVKDONJSA-N 1 0 237.730 4.195 10 0 BIAERO CC(C)(C)[C@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000083821778 538525942 /nfs/dbraw/zinc/52/59/42/538525942.db2.gz GIPVYAPADJDPHB-GFCCVEGCSA-N 1 0 237.730 4.132 10 0 BIAERO CC(C)(C)[C@@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000083821779 538525859 /nfs/dbraw/zinc/52/58/59/538525859.db2.gz GIPVYAPADJDPHB-LBPRGKRZSA-N 1 0 237.730 4.132 10 0 BIAERO CC(C)CC[C@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000084676076 166915267 /nfs/dbraw/zinc/91/52/67/166915267.db2.gz MCJNNVXTKOQNSG-UKRRQHHQSA-N 1 0 225.420 4.356 10 0 BIAERO C[C@H]([NH2+]Cc1cc(Cl)cs1)C1CCCC1 ZINC000086332885 387520959 /nfs/dbraw/zinc/52/09/59/387520959.db2.gz DRABTOZTLVHYJY-VIFPVBQESA-N 1 0 243.803 4.070 10 0 BIAERO C[C@@H]([NH2+]Cc1cc(Cl)cs1)C1CCCC1 ZINC000086332888 387520546 /nfs/dbraw/zinc/52/05/46/387520546.db2.gz DRABTOZTLVHYJY-SECBINFHSA-N 1 0 243.803 4.070 10 0 BIAERO CC[NH2+]CCCCc1ccc([C@H](C)CC)cc1 ZINC000087730130 170112306 /nfs/dbraw/zinc/11/23/06/170112306.db2.gz MURWZLXLFRUOPU-CQSZACIVSA-N 1 0 233.399 4.132 10 0 BIAERO CC[NH2+]CCCCc1ccc([C@@H](C)CC)cc1 ZINC000087730131 170112750 /nfs/dbraw/zinc/11/27/50/170112750.db2.gz MURWZLXLFRUOPU-AWEZNQCLSA-N 1 0 233.399 4.132 10 0 BIAERO CCCCc1ccc(CCCC[NH2+]C(C)C)cc1 ZINC000087730140 169020985 /nfs/dbraw/zinc/02/09/85/169020985.db2.gz JECKJKQGOCDZGX-UHFFFAOYSA-N 1 0 247.426 4.350 10 0 BIAERO CC(C)Cc1ccc(CCCC[NH2+]C(C)C)cc1 ZINC000087730166 187286288 /nfs/dbraw/zinc/28/62/88/187286288.db2.gz GMDQKXMQWQWMGM-UHFFFAOYSA-N 1 0 247.426 4.206 10 0 BIAERO CC(C)CC[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000088116891 259331846 /nfs/dbraw/zinc/33/18/46/259331846.db2.gz BOKYLYDNAPYVGX-SNVBAGLBSA-N 1 0 243.803 4.025 10 0 BIAERO CC(C)CC[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000088116893 259332320 /nfs/dbraw/zinc/33/23/20/259332320.db2.gz BOKYLYDNAPYVGX-JTQLQIEISA-N 1 0 243.803 4.025 10 0 BIAERO C[C@H]([NH2+][C@H]1C=CCCC1)c1ccc(Cl)s1 ZINC000090392735 256560087 /nfs/dbraw/zinc/56/00/87/256560087.db2.gz VTSOQPQHBILAFR-UWVGGRQHSA-N 1 0 241.787 4.161 10 0 BIAERO C[C@@H]([NH2+][C@H]1C=CCCC1)c1ccc(Cl)s1 ZINC000090392736 398099232 /nfs/dbraw/zinc/09/92/32/398099232.db2.gz VTSOQPQHBILAFR-ZJUUUORDSA-N 1 0 241.787 4.161 10 0 BIAERO C[C@H]([NH2+][C@@H]1C=CCCC1)c1ccc(Cl)s1 ZINC000090392737 384749925 /nfs/dbraw/zinc/74/99/25/384749925.db2.gz VTSOQPQHBILAFR-VHSXEESVSA-N 1 0 241.787 4.161 10 0 BIAERO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccc(Cl)s1 ZINC000090392738 384749623 /nfs/dbraw/zinc/74/96/23/384749623.db2.gz VTSOQPQHBILAFR-NXEZZACHSA-N 1 0 241.787 4.161 10 0 BIAERO Cc1ccccc1[C@@H](C)Nc1ccncc1Cl ZINC000094195507 179322557 /nfs/dbraw/zinc/32/25/57/179322557.db2.gz QAKVMKBXOGMSAX-LLVKDONJSA-N 1 0 246.741 4.217 10 0 BIAERO Cc1ccccc1[C@H](C)Nc1ccncc1Cl ZINC000094195508 179341085 /nfs/dbraw/zinc/34/10/85/179341085.db2.gz QAKVMKBXOGMSAX-NSHDSACASA-N 1 0 246.741 4.217 10 0 BIAERO C[C@H]([NH3+])c1ccccc1-c1ccc(Cl)cc1F ZINC000094822353 343153582 /nfs/dbraw/zinc/15/35/82/343153582.db2.gz KWJFLNMADVMXAB-VIFPVBQESA-N 1 0 249.716 4.166 10 0 BIAERO C[C@@H]([NH3+])c1ccccc1-c1ccc(Cl)cc1F ZINC000094822354 343153533 /nfs/dbraw/zinc/15/35/33/343153533.db2.gz KWJFLNMADVMXAB-SECBINFHSA-N 1 0 249.716 4.166 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C(C)C ZINC000094827209 386961338 /nfs/dbraw/zinc/96/13/38/386961338.db2.gz WKCVBTMXWWJGOP-HZMBPMFUSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C(C)C ZINC000094827210 256639657 /nfs/dbraw/zinc/63/96/57/256639657.db2.gz WKCVBTMXWWJGOP-IINYFYTJSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)C(C)C ZINC000094827211 386961732 /nfs/dbraw/zinc/96/17/32/386961732.db2.gz WKCVBTMXWWJGOP-YGRLFVJLSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)C(C)C ZINC000094827212 386962388 /nfs/dbraw/zinc/96/23/88/386962388.db2.gz WKCVBTMXWWJGOP-QMTHXVAHSA-N 1 0 241.325 4.050 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+]C2CCCCC2)cc1F ZINC000094836387 386961876 /nfs/dbraw/zinc/96/18/76/386961876.db2.gz KXJPPNNZIQTSDK-GFCCVEGCSA-N 1 0 235.346 4.117 10 0 BIAERO Cc1ccc([C@H](C)[NH2+]C2CCCCC2)cc1F ZINC000094836388 386962009 /nfs/dbraw/zinc/96/20/09/386962009.db2.gz KXJPPNNZIQTSDK-LBPRGKRZSA-N 1 0 235.346 4.117 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)C)cc1F ZINC000094836897 384318043 /nfs/dbraw/zinc/31/80/43/384318043.db2.gz NXJNBPCHYHJIGK-QWHCGFSZSA-N 1 0 237.362 4.219 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)C)cc1F ZINC000094836898 386962228 /nfs/dbraw/zinc/96/22/28/386962228.db2.gz NXJNBPCHYHJIGK-STQMWFEESA-N 1 0 237.362 4.219 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)cc1F ZINC000094836899 386962663 /nfs/dbraw/zinc/96/26/63/386962663.db2.gz NXJNBPCHYHJIGK-CHWSQXEVSA-N 1 0 237.362 4.219 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(C)C)cc1F ZINC000094836900 256640262 /nfs/dbraw/zinc/64/02/62/256640262.db2.gz NXJNBPCHYHJIGK-OLZOCXBDSA-N 1 0 237.362 4.219 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1F ZINC000094836920 386961363 /nfs/dbraw/zinc/96/13/63/386961363.db2.gz YHYKIZYXESYZTD-RYUDHWBXSA-N 1 0 247.313 4.139 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1F ZINC000094836922 386961429 /nfs/dbraw/zinc/96/14/29/386961429.db2.gz YHYKIZYXESYZTD-NWDGAFQWSA-N 1 0 247.313 4.139 10 0 BIAERO C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000095075676 173418753 /nfs/dbraw/zinc/41/87/53/173418753.db2.gz NEYXQTBKAUYQCB-LBPRGKRZSA-N 1 0 245.410 4.316 10 0 BIAERO C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000095075677 384351475 /nfs/dbraw/zinc/35/14/75/384351475.db2.gz NEYXQTBKAUYQCB-GFCCVEGCSA-N 1 0 245.410 4.316 10 0 BIAERO C[C@@H]([NH3+])c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000095664124 636920342 /nfs/dbraw/zinc/92/03/42/636920342.db2.gz XEMCEOYLOXVXGH-SNVBAGLBSA-N 1 0 249.398 4.007 10 0 BIAERO C[C@H]([NH3+])c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000095675077 635480240 /nfs/dbraw/zinc/48/02/40/635480240.db2.gz XEMCEOYLOXVXGH-JTQLQIEISA-N 1 0 249.398 4.007 10 0 BIAERO c1ccc([C@@H]2CC[NH2+][C@H](C3CCCCC3)C2)cc1 ZINC000095831159 384913717 /nfs/dbraw/zinc/91/37/17/384913717.db2.gz ZZXYRDFIQROERL-SJORKVTESA-N 1 0 243.394 4.103 10 0 BIAERO c1ccc([C@H]2CC[NH2+][C@H](C3CCCCC3)C2)cc1 ZINC000095831317 384916204 /nfs/dbraw/zinc/91/62/04/384916204.db2.gz ZZXYRDFIQROERL-IRXDYDNUSA-N 1 0 243.394 4.103 10 0 BIAERO c1ccc([C@@H]2CC[NH2+][C@@H](C3CCCCC3)C2)cc1 ZINC000095831318 384914016 /nfs/dbraw/zinc/91/40/16/384914016.db2.gz ZZXYRDFIQROERL-IAGOWNOFSA-N 1 0 243.394 4.103 10 0 BIAERO c1ccc([C@H]2CC[NH2+][C@@H](C3CCCCC3)C2)cc1 ZINC000095831319 384915540 /nfs/dbraw/zinc/91/55/40/384915540.db2.gz ZZXYRDFIQROERL-DLBZAZTESA-N 1 0 243.394 4.103 10 0 BIAERO C#[N+]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095851797 183317384 /nfs/dbraw/zinc/31/73/84/183317384.db2.gz CJMAPYVIPSWVSC-UHFFFAOYSA-N 1 0 239.118 4.275 10 0 BIAERO Cc1ccc(C(C)C)cc1[C@@H](C)CCCC[NH3+] ZINC000096890740 178455162 /nfs/dbraw/zinc/45/51/62/178455162.db2.gz UOKCWPOUNFBBEU-ZDUSSCGKSA-N 1 0 233.399 4.351 10 0 BIAERO CC(C)Sc1ccc([C@@H](C)CCC[NH3+])cc1 ZINC000096891016 167337508 /nfs/dbraw/zinc/33/75/08/167337508.db2.gz QNVBBALAYQJHEK-LBPRGKRZSA-N 1 0 237.412 4.030 10 0 BIAERO CC(C)Sc1ccc([C@H](C)CCC[NH3+])cc1 ZINC000096891017 167337332 /nfs/dbraw/zinc/33/73/32/167337332.db2.gz QNVBBALAYQJHEK-GFCCVEGCSA-N 1 0 237.412 4.030 10 0 BIAERO CC(C)Sc1ccc([C@@H](CC[NH3+])C2CC2)cc1 ZINC000096891065 167336678 /nfs/dbraw/zinc/33/66/78/167336678.db2.gz IMQDCTPMODETEW-HNNXBMFYSA-N 1 0 249.423 4.030 10 0 BIAERO CC(C)Sc1ccc([C@H](CC[NH3+])C2CC2)cc1 ZINC000096891066 167337543 /nfs/dbraw/zinc/33/75/43/167337543.db2.gz IMQDCTPMODETEW-OAHLLOKOSA-N 1 0 249.423 4.030 10 0 BIAERO CC1CCC(Nc2cc[nH+]c3ccccc23)CC1 ZINC000097030122 168165748 /nfs/dbraw/zinc/16/57/48/168165748.db2.gz XVQXTJHLIDSZOP-UHFFFAOYSA-N 1 0 240.350 4.225 10 0 BIAERO Cc1ccc(CCCC[NH2+]C2CCCC2)c(C)c1 ZINC000098128232 187290752 /nfs/dbraw/zinc/29/07/52/187290752.db2.gz UITNFKVEHFOFJB-UHFFFAOYSA-N 1 0 245.410 4.158 10 0 BIAERO CC[NH2+]CCCc1ccc(C2CCCCC2)cc1 ZINC000098128240 170113339 /nfs/dbraw/zinc/11/33/39/170113339.db2.gz MRKRLVSEGMNEDS-UHFFFAOYSA-N 1 0 245.410 4.276 10 0 BIAERO CC[NH2+]CCCc1c(C)cc(C(C)(C)C)cc1C ZINC000098128376 170113585 /nfs/dbraw/zinc/11/35/85/170113585.db2.gz NFTYSWKLIPFEBT-UHFFFAOYSA-N 1 0 247.426 4.143 10 0 BIAERO [NH3+]CCCCc1ccc(SC2CCCC2)cc1 ZINC000098128647 181378634 /nfs/dbraw/zinc/37/86/34/181378634.db2.gz VQDZZNJLYLUMDW-UHFFFAOYSA-N 1 0 249.423 4.003 10 0 BIAERO CCC1=C[N@@H+]([C@@H](C)c2ccccc2)CCC1 ZINC000100261160 384627753 /nfs/dbraw/zinc/62/77/53/384627753.db2.gz TVWUINQAPPNXQA-ZDUSSCGKSA-N 1 0 215.340 4.137 10 0 BIAERO CCCCn1c(N)c(C2CCCC2)[nH+]c1C(C)C ZINC000103500864 169033513 /nfs/dbraw/zinc/03/35/13/169033513.db2.gz LOZQLNVZYPBUSV-UHFFFAOYSA-N 1 0 249.402 4.046 10 0 BIAERO CCC[C@@H](C)c1[nH+]c(C(C)C)n(C(C)C)c1N ZINC000103502097 169374728 /nfs/dbraw/zinc/37/47/28/169374728.db2.gz YCMYQWCOBMKLEC-LLVKDONJSA-N 1 0 237.391 4.073 10 0 BIAERO CC1CC[NH+](C2=CC[C@H](C(C)(C)C)CC2)CC1 ZINC000103540587 168177390 /nfs/dbraw/zinc/17/73/90/168177390.db2.gz POPDLNACFUEDTB-AWEZNQCLSA-N 1 0 235.415 4.448 10 0 BIAERO CC1CC[NH+](C2=CC[C@@H](C(C)(C)C)CC2)CC1 ZINC000103540594 168177032 /nfs/dbraw/zinc/17/70/32/168177032.db2.gz POPDLNACFUEDTB-CQSZACIVSA-N 1 0 235.415 4.448 10 0 BIAERO CC(C)(C)[C@H]1CC=C([NH+]2CCCCC2)CC1 ZINC000103543354 188160743 /nfs/dbraw/zinc/16/07/43/188160743.db2.gz CMMRGJXXSUCCQU-ZDUSSCGKSA-N 1 0 221.388 4.202 10 0 BIAERO CC(C)(C)[C@@H]1CC=C([NH+]2CCCCC2)CC1 ZINC000103543359 187642629 /nfs/dbraw/zinc/64/26/29/187642629.db2.gz CMMRGJXXSUCCQU-CYBMUJFWSA-N 1 0 221.388 4.202 10 0 BIAERO C[C@H]([NH3+])c1ccc(S[C@H]2CCC[C@H](C)C2)cc1 ZINC000103925738 177139435 /nfs/dbraw/zinc/13/94/35/177139435.db2.gz PBTRRQLQZARYFK-HUBLWGQQSA-N 1 0 249.423 4.377 10 0 BIAERO C[C@H]([NH3+])c1ccc(S[C@@H]2CCC[C@H](C)C2)cc1 ZINC000103925745 177123389 /nfs/dbraw/zinc/12/33/89/177123389.db2.gz PBTRRQLQZARYFK-SLEUVZQESA-N 1 0 249.423 4.377 10 0 BIAERO C[C@H]([NH3+])c1ccccc1S[C@H]1CCC[C@H](C)C1 ZINC000103925752 177138864 /nfs/dbraw/zinc/13/88/64/177138864.db2.gz FBQWLPRMKCUTTI-AVGNSLFASA-N 1 0 249.423 4.377 10 0 BIAERO C[C@H]([NH3+])c1ccccc1S[C@@H]1CCC[C@@H](C)C1 ZINC000103925756 176778756 /nfs/dbraw/zinc/77/87/56/176778756.db2.gz FBQWLPRMKCUTTI-FRRDWIJNSA-N 1 0 249.423 4.377 10 0 BIAERO C[C@H]([NH3+])c1ccccc1S[C@@H]1CCC[C@H](C)C1 ZINC000103925759 177123475 /nfs/dbraw/zinc/12/34/75/177123475.db2.gz FBQWLPRMKCUTTI-RWMBFGLXSA-N 1 0 249.423 4.377 10 0 BIAERO CCc1ccc([C@H]([NH3+])C2CCC(C)CC2)cc1 ZINC000103929676 171842640 /nfs/dbraw/zinc/84/26/40/171842640.db2.gz VLEJKKFRMGVUDD-LDZOIKDWSA-N 1 0 231.383 4.075 10 0 BIAERO C[NH2+][C@H](c1ccc(F)cc1C)C1CCC(C)CC1 ZINC000103929700 173457185 /nfs/dbraw/zinc/45/71/85/173457185.db2.gz CHIUVRQRCDDTML-TZDAIYRESA-N 1 0 249.373 4.221 10 0 BIAERO CC[NH2+][C@@H](CC1CCCC1)C1CCC(C)CC1 ZINC000103929743 170144335 /nfs/dbraw/zinc/14/43/35/170144335.db2.gz XRIHNJWBWSHLKO-BCLQGDPASA-N 1 0 237.431 4.371 10 0 BIAERO CC[NH2+][C@H](CC1CCCC1)C1CCC(C)CC1 ZINC000103929746 170161773 /nfs/dbraw/zinc/16/17/73/170161773.db2.gz XRIHNJWBWSHLKO-AVVWSFFYSA-N 1 0 237.431 4.371 10 0 BIAERO CC[NH2+][C@@H](CCCCc1ccccc1)C(C)(C)C ZINC000103930301 170145328 /nfs/dbraw/zinc/14/53/28/170145328.db2.gz MZMIKLPSDXSIPV-INIZCTEOSA-N 1 0 247.426 4.424 10 0 BIAERO CC[NH2+][C@H](CCCCc1ccccc1)C(C)(C)C ZINC000103930304 170161516 /nfs/dbraw/zinc/16/15/16/170161516.db2.gz MZMIKLPSDXSIPV-MRXNPFEDSA-N 1 0 247.426 4.424 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccc(C)cc1 ZINC000103930338 169281964 /nfs/dbraw/zinc/28/19/64/169281964.db2.gz CDBSHPDDLNIDOF-IAGOWNOFSA-N 1 0 245.410 4.096 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@@H]1Cc1ccc(C)cc1 ZINC000103930342 169290507 /nfs/dbraw/zinc/29/05/07/169290507.db2.gz CDBSHPDDLNIDOF-SJORKVTESA-N 1 0 245.410 4.096 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@H]1Cc1ccc(C)cc1 ZINC000103930345 169281969 /nfs/dbraw/zinc/28/19/69/169281969.db2.gz CDBSHPDDLNIDOF-DLBZAZTESA-N 1 0 245.410 4.096 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@H]1Cc1ccc(C)cc1 ZINC000103930347 169291082 /nfs/dbraw/zinc/29/10/82/169291082.db2.gz CDBSHPDDLNIDOF-IRXDYDNUSA-N 1 0 245.410 4.096 10 0 BIAERO CC[C@H](C)C[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000103930406 171296506 /nfs/dbraw/zinc/29/65/06/171296506.db2.gz XJCRZSFVATYWSX-SVGFKBNWSA-N 1 0 245.410 4.334 10 0 BIAERO CCC[C@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC ZINC000103930418 169534548 /nfs/dbraw/zinc/53/45/48/169534548.db2.gz AURDUCRFPWRFAM-IKGGRYGDSA-N 1 0 245.410 4.349 10 0 BIAERO CCC[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CC ZINC000103930424 169530623 /nfs/dbraw/zinc/53/06/23/169530623.db2.gz AURDUCRFPWRFAM-ULQDDVLXSA-N 1 0 245.410 4.349 10 0 BIAERO CC[C@@]([NH3+])(Cc1ccc(C(C)C)cc1)C(C)C ZINC000103930698 171193602 /nfs/dbraw/zinc/19/36/02/171193602.db2.gz ZWMNISNHTPBFBP-MRXNPFEDSA-N 1 0 233.399 4.116 10 0 BIAERO CCC[C@@H](C)C[C@H]([NH2+]CC)c1cccc(F)c1 ZINC000103930872 169361663 /nfs/dbraw/zinc/36/16/63/169361663.db2.gz ZUWJUFNIHIOIQK-DOMZBBRYSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[C@@H](C)C[C@@H]([NH2+]CC)c1cccc(F)c1 ZINC000103930877 169361723 /nfs/dbraw/zinc/36/17/23/169361723.db2.gz ZUWJUFNIHIOIQK-IUODEOHRSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[C@H](C)C[C@@H]([NH2+]CC)c1cccc(F)c1 ZINC000103930880 169485069 /nfs/dbraw/zinc/48/50/69/169485069.db2.gz ZUWJUFNIHIOIQK-SWLSCSKDSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)c1cc(C)cc(C)c1 ZINC000103930924 169277216 /nfs/dbraw/zinc/27/72/16/169277216.db2.gz ZKWRIAULUMSQEI-INIZCTEOSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)c1cc(C)cc(C)c1 ZINC000103930928 169288598 /nfs/dbraw/zinc/28/85/98/169288598.db2.gz ZKWRIAULUMSQEI-MRXNPFEDSA-N 1 0 233.399 4.390 10 0 BIAERO C[C@@H]1CCC[C@H]([C@H]([NH3+])CCCc2ccccc2)C1 ZINC000103931064 176146289 /nfs/dbraw/zinc/14/62/89/176146289.db2.gz YWDDSUOMDWEJQC-HYVNUMGLSA-N 1 0 245.410 4.163 10 0 BIAERO C[C@@H]1CCC[C@@H]([C@H]([NH3+])CCCc2ccccc2)C1 ZINC000103931071 176124966 /nfs/dbraw/zinc/12/49/66/176124966.db2.gz YWDDSUOMDWEJQC-DJIMGWMZSA-N 1 0 245.410 4.163 10 0 BIAERO CCc1ccc([C@H]([NH2+]C)C2CCC(C)CC2)cc1 ZINC000103931119 171843729 /nfs/dbraw/zinc/84/37/29/171843729.db2.gz QTLQHWSGHCPGLI-PUJMQQBBSA-N 1 0 245.410 4.336 10 0 BIAERO CCc1ccc([C@@H]([NH2+]C)C2CCC(C)CC2)cc1 ZINC000103931122 171833944 /nfs/dbraw/zinc/83/39/44/171833944.db2.gz QTLQHWSGHCPGLI-PGEKIEPBSA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC(C)CC1 ZINC000103931137 170147677 /nfs/dbraw/zinc/14/76/77/170147677.db2.gz CZFIMCMZRPEHJE-SEEARECTSA-N 1 0 249.373 4.303 10 0 BIAERO CC[NH2+][C@H](c1ccc(F)cc1)C1CCC(C)CC1 ZINC000103931141 170163972 /nfs/dbraw/zinc/16/39/72/170163972.db2.gz CZFIMCMZRPEHJE-ZUEPYMLJSA-N 1 0 249.373 4.303 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)cc1)C1CCC(C)CC1 ZINC000103931151 170147827 /nfs/dbraw/zinc/14/78/27/170147827.db2.gz CAHACXVOHLUDSV-PREGVCBESA-N 1 0 245.410 4.472 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)cc1)C1CCC(C)CC1 ZINC000103931155 170162842 /nfs/dbraw/zinc/16/28/42/170162842.db2.gz CAHACXVOHLUDSV-BDVYOWHSSA-N 1 0 245.410 4.472 10 0 BIAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1CCC(C)(C)C ZINC000103931748 170155332 /nfs/dbraw/zinc/15/53/32/170155332.db2.gz JHKWCHYSOZLERG-HOCLYGCPSA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1CCC(C)(C)C ZINC000103931750 170169704 /nfs/dbraw/zinc/16/97/04/170169704.db2.gz JHKWCHYSOZLERG-GOEBONIOSA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1CCC(C)(C)C ZINC000103931753 170154707 /nfs/dbraw/zinc/15/47/07/170154707.db2.gz JHKWCHYSOZLERG-ZBFHGGJFSA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1CCC(C)(C)C ZINC000103931756 170169834 /nfs/dbraw/zinc/16/98/34/170169834.db2.gz JHKWCHYSOZLERG-GDBMZVCRSA-N 1 0 245.410 4.336 10 0 BIAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](CCCc2ccccc2)C1 ZINC000103931804 171056978 /nfs/dbraw/zinc/05/69/78/171056978.db2.gz PTUFYGONIKVAGY-OIISXLGYSA-N 1 0 245.410 4.163 10 0 BIAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](CCCc2ccccc2)C1 ZINC000103931811 171040453 /nfs/dbraw/zinc/04/04/53/171040453.db2.gz PTUFYGONIKVAGY-DJIMGWMZSA-N 1 0 245.410 4.163 10 0 BIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@]1([NH3+])CC1CCCC1 ZINC000103932115 188160931 /nfs/dbraw/zinc/16/09/31/188160931.db2.gz JGBBHSYPDNXHRG-CWRNSKLLSA-N 1 0 237.431 4.356 10 0 BIAERO CCC[NH2+][C@@H](C[C@@H](C)CC)c1cccc(F)c1 ZINC000103932321 169279261 /nfs/dbraw/zinc/27/92/61/169279261.db2.gz RYTLRWVWXLCZND-WFASDCNBSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@H](C[C@@H](C)CC)c1cccc(F)c1 ZINC000103932324 169288968 /nfs/dbraw/zinc/28/89/68/169288968.db2.gz RYTLRWVWXLCZND-SWLSCSKDSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@@H](C[C@H](C)CC)c1cccc(F)c1 ZINC000103932326 169278885 /nfs/dbraw/zinc/27/88/85/169278885.db2.gz RYTLRWVWXLCZND-DOMZBBRYSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@H](C[C@H](C)CC)c1cccc(F)c1 ZINC000103932330 169288734 /nfs/dbraw/zinc/28/87/34/169288734.db2.gz RYTLRWVWXLCZND-IUODEOHRSA-N 1 0 237.362 4.303 10 0 BIAERO CCC[NH2+][C@@H](Cc1ccc(C(C)C)cc1)C(C)C ZINC000103932394 169279836 /nfs/dbraw/zinc/27/98/36/169279836.db2.gz HPDSQCGBNVMUNT-KRWDZBQOSA-N 1 0 247.426 4.377 10 0 BIAERO CCC[NH2+][C@H](Cc1ccc(C(C)C)cc1)C(C)C ZINC000103932397 169289172 /nfs/dbraw/zinc/28/91/72/169289172.db2.gz HPDSQCGBNVMUNT-QGZVFWFLSA-N 1 0 247.426 4.377 10 0 BIAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1CCC(C)(C)C ZINC000103933291 173468682 /nfs/dbraw/zinc/46/86/82/173468682.db2.gz IUJGOMNPCHRHDH-GOEBONIOSA-N 1 0 245.410 4.336 10 0 BIAERO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1CCC(C)(C)C ZINC000103933302 173439259 /nfs/dbraw/zinc/43/92/59/173439259.db2.gz IUJGOMNPCHRHDH-ZBFHGGJFSA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1C[C@@H](C)CC ZINC000103933308 170169663 /nfs/dbraw/zinc/16/96/63/170169663.db2.gz UCGQPNQUERSUFG-JLJPHGGASA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1C[C@@H](C)CC ZINC000103933315 170169364 /nfs/dbraw/zinc/16/93/64/170169364.db2.gz UCGQPNQUERSUFG-YSVLISHTSA-N 1 0 245.410 4.336 10 0 BIAERO CCCCC[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC ZINC000103933320 168746407 /nfs/dbraw/zinc/74/64/07/168746407.db2.gz WPHSVXOXIWNYHN-DOTOQJQBSA-N 1 0 245.410 4.480 10 0 BIAERO CC[C@H](C)C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C ZINC000103934779 171296869 /nfs/dbraw/zinc/29/68/69/171296869.db2.gz LMJUYXVORUVCGI-JLJPHGGASA-N 1 0 245.410 4.336 10 0 BIAERO CC[C@H](C)C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]C ZINC000103934785 171299430 /nfs/dbraw/zinc/29/94/30/171299430.db2.gz LMJUYXVORUVCGI-YSVLISHTSA-N 1 0 245.410 4.336 10 0 BIAERO CCCC[C@H]1CCCc2ccccc2[C@@H]1[NH2+]C ZINC000103934792 169013966 /nfs/dbraw/zinc/01/39/66/169013966.db2.gz VCCMKQAMBGEKGL-GOEBONIOSA-N 1 0 231.383 4.090 10 0 BIAERO CCCC[C@H]1CCCc2ccccc2[C@H]1[NH2+]C ZINC000103934798 169014250 /nfs/dbraw/zinc/01/42/50/169014250.db2.gz VCCMKQAMBGEKGL-HOCLYGCPSA-N 1 0 231.383 4.090 10 0 BIAERO C[NH2+][C@H](CCC(C)C)Cc1c(C)cc(C)cc1C ZINC000103935358 173452164 /nfs/dbraw/zinc/45/21/64/173452164.db2.gz SMPRPMBOPGHBQR-MRXNPFEDSA-N 1 0 247.426 4.179 10 0 BIAERO CC[NH2+][C@@H](CCc1ccc(C(C)C)cc1)C(C)C ZINC000103936022 170144559 /nfs/dbraw/zinc/14/45/59/170144559.db2.gz QZJZVCHPXQDALX-KRWDZBQOSA-N 1 0 247.426 4.377 10 0 BIAERO CCC[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]CC ZINC000103936033 169420289 /nfs/dbraw/zinc/42/02/89/169420289.db2.gz PYACVTKTZACVQM-GDBMZVCRSA-N 1 0 231.383 4.090 10 0 BIAERO C[C@@H]1CCC[C@]([NH3+])(c2ccc(C(C)(C)C)cc2)C1 ZINC000103936235 176152314 /nfs/dbraw/zinc/15/23/14/176152314.db2.gz YUYRQMNSLRSOHG-CXAGYDPISA-N 1 0 245.410 4.348 10 0 BIAERO C[C@H]1CCC[C@]([NH3+])(c2ccc(C(C)(C)C)cc2)C1 ZINC000103936239 177143638 /nfs/dbraw/zinc/14/36/38/177143638.db2.gz YUYRQMNSLRSOHG-SUMWQHHRSA-N 1 0 245.410 4.348 10 0 BIAERO C[C@@H]1CCC[C@@]([NH3+])(c2ccc(C(C)(C)C)cc2)C1 ZINC000103936243 176134189 /nfs/dbraw/zinc/13/41/89/176134189.db2.gz YUYRQMNSLRSOHG-DYVFJYSZSA-N 1 0 245.410 4.348 10 0 BIAERO C[C@H]1CCC[C@@]([NH3+])(c2ccc(C(C)(C)C)cc2)C1 ZINC000103936247 177127957 /nfs/dbraw/zinc/12/79/57/177127957.db2.gz YUYRQMNSLRSOHG-GUYCJALGSA-N 1 0 245.410 4.348 10 0 BIAERO Cc1cc(F)ccc1C1([NH3+])CCC(C(C)C)CC1 ZINC000103936300 178083893 /nfs/dbraw/zinc/08/38/93/178083893.db2.gz YCHOTJUAZCZFJA-UHFFFAOYSA-N 1 0 249.373 4.134 10 0 BIAERO CCC[C@@H](C)C[C@H]([NH2+]CC)c1ccccc1C ZINC000103936444 169361392 /nfs/dbraw/zinc/36/13/92/169361392.db2.gz MOHCORFQCKVNEV-CJNGLKHVSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[C@@H](C)C[C@@H]([NH2+]CC)c1ccccc1C ZINC000103936450 169361543 /nfs/dbraw/zinc/36/15/43/169361543.db2.gz MOHCORFQCKVNEV-CZUORRHYSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[C@H](C)C[C@@H]([NH2+]CC)c1ccccc1C ZINC000103936453 169485020 /nfs/dbraw/zinc/48/50/20/169485020.db2.gz MOHCORFQCKVNEV-XJKSGUPXSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@@H](Cc1ccc(C)c(C)c1)C(C)(C)C ZINC000103936479 169279087 /nfs/dbraw/zinc/27/90/87/169279087.db2.gz YOKZYAASZNSUSK-INIZCTEOSA-N 1 0 247.426 4.260 10 0 BIAERO CCC[NH2+][C@H](Cc1ccc(C)c(C)c1)C(C)(C)C ZINC000103936484 169288944 /nfs/dbraw/zinc/28/89/44/169288944.db2.gz YOKZYAASZNSUSK-MRXNPFEDSA-N 1 0 247.426 4.260 10 0 BIAERO CC[NH2+][C@@H](CCC(C)C)Cc1ccc(C)c(C)c1 ZINC000103936498 170144910 /nfs/dbraw/zinc/14/49/10/170144910.db2.gz NNABPZQLJQMXBD-KRWDZBQOSA-N 1 0 247.426 4.260 10 0 BIAERO CC[NH2+][C@H](CCC(C)C)Cc1ccc(C)c(C)c1 ZINC000103936500 170161351 /nfs/dbraw/zinc/16/13/51/170161351.db2.gz NNABPZQLJQMXBD-QGZVFWFLSA-N 1 0 247.426 4.260 10 0 BIAERO CC[NH2+][C@@H](CC1CCCCC1)c1ccccc1F ZINC000103936566 170144128 /nfs/dbraw/zinc/14/41/28/170144128.db2.gz SLSBOLAHCBHYDF-INIZCTEOSA-N 1 0 249.373 4.447 10 0 BIAERO CC[NH2+][C@H](CC1CCCCC1)c1ccccc1F ZINC000103936569 170161326 /nfs/dbraw/zinc/16/13/26/170161326.db2.gz SLSBOLAHCBHYDF-MRXNPFEDSA-N 1 0 249.373 4.447 10 0 BIAERO CCC[C@@H](C)C[C@H]([NH3+])C1(c2ccccc2)CCC1 ZINC000103936628 169361458 /nfs/dbraw/zinc/36/14/58/169361458.db2.gz WLSMRIHPFXBTKN-ZBFHGGJFSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[C@H](C)C[C@H]([NH3+])C1(c2ccccc2)CCC1 ZINC000103936630 169485030 /nfs/dbraw/zinc/48/50/30/169485030.db2.gz WLSMRIHPFXBTKN-HOCLYGCPSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[C@@H](C)C[C@@H]([NH3+])C1(c2ccccc2)CCC1 ZINC000103936632 169361433 /nfs/dbraw/zinc/36/14/33/169361433.db2.gz WLSMRIHPFXBTKN-GDBMZVCRSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[C@@H](C)C[C@]1([NH3+])CCCCc2ccccc21 ZINC000103937675 169362366 /nfs/dbraw/zinc/36/23/66/169362366.db2.gz MVKZYYDMMQGZPU-RHSMWYFYSA-N 1 0 245.410 4.393 10 0 BIAERO CCC[C@@H](C)C[C@@]1([NH3+])CCCCc2ccccc21 ZINC000103937681 169361646 /nfs/dbraw/zinc/36/16/46/169361646.db2.gz MVKZYYDMMQGZPU-PBHICJAKSA-N 1 0 245.410 4.393 10 0 BIAERO CCCC1CCC([NH3+])(c2cc(F)ccc2C)CC1 ZINC000103937696 168604116 /nfs/dbraw/zinc/60/41/16/168604116.db2.gz IUKQRCUYNZXCIG-UHFFFAOYSA-N 1 0 249.373 4.278 10 0 BIAERO CCC[NH2+][C@@H](c1cccc(C)c1C)C(C)(C)C ZINC000103938045 169280600 /nfs/dbraw/zinc/28/06/00/169280600.db2.gz VVXXGBIVAAVVGK-HNNXBMFYSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](c1cccc(C)c1C)C(C)(C)C ZINC000103938049 169290941 /nfs/dbraw/zinc/29/09/41/169290941.db2.gz VVXXGBIVAAVVGK-OAHLLOKOSA-N 1 0 233.399 4.390 10 0 BIAERO CCCCC[C@H](Cc1cccc(C)c1)[NH2+]CC ZINC000103938102 168745490 /nfs/dbraw/zinc/74/54/90/168745490.db2.gz BNCKCOKNQBZUMW-MRXNPFEDSA-N 1 0 233.399 4.096 10 0 BIAERO CCC1CCC([NH3+])(c2cc(C)cc(C)c2)CC1 ZINC000103939329 168517890 /nfs/dbraw/zinc/51/78/90/168517890.db2.gz TUDNLHMDKZUBTL-UHFFFAOYSA-N 1 0 231.383 4.058 10 0 BIAERO CCC[C@@H](C)C[C@H]([NH2+]CC)c1ccc(C)cc1 ZINC000103939475 169361768 /nfs/dbraw/zinc/36/17/68/169361768.db2.gz YJRVGDJTISBRHH-ZBFHGGJFSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[C@@H](C)C[C@@H]([NH2+]CC)c1ccc(C)cc1 ZINC000103939481 169361383 /nfs/dbraw/zinc/36/13/83/169361383.db2.gz YJRVGDJTISBRHH-GDBMZVCRSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[C@H](C)C[C@@H]([NH2+]CC)c1ccc(C)cc1 ZINC000103939482 169484667 /nfs/dbraw/zinc/48/46/67/169484667.db2.gz YJRVGDJTISBRHH-GOEBONIOSA-N 1 0 233.399 4.472 10 0 BIAERO CC[NH2+][C@@H](CCC(C)(C)C)c1cccc(C)c1 ZINC000103939514 170144675 /nfs/dbraw/zinc/14/46/75/170144675.db2.gz HOJDLXQMZQXHEZ-HNNXBMFYSA-N 1 0 233.399 4.472 10 0 BIAERO CC[NH2+][C@H](CCC(C)(C)C)c1cccc(C)c1 ZINC000103939516 170161270 /nfs/dbraw/zinc/16/12/70/170161270.db2.gz HOJDLXQMZQXHEZ-OAHLLOKOSA-N 1 0 233.399 4.472 10 0 BIAERO CCC[NH2+][C@@H](c1cc(C)cc(C)c1)C(C)(C)C ZINC000103939526 169279472 /nfs/dbraw/zinc/27/94/72/169279472.db2.gz BUHWTMPDKKLQIN-HNNXBMFYSA-N 1 0 233.399 4.390 10 0 BIAERO CCC[NH2+][C@H](c1cc(C)cc(C)c1)C(C)(C)C ZINC000103939528 169289898 /nfs/dbraw/zinc/28/98/98/169289898.db2.gz BUHWTMPDKKLQIN-OAHLLOKOSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](CCC(C)(C)C)Cc1cccc(C)c1 ZINC000103939562 170144410 /nfs/dbraw/zinc/14/44/10/170144410.db2.gz JALTXQGBQDHCHD-INIZCTEOSA-N 1 0 247.426 4.342 10 0 BIAERO CC[NH2+][C@H](CCC(C)(C)C)Cc1cccc(C)c1 ZINC000103939563 170161781 /nfs/dbraw/zinc/16/17/81/170161781.db2.gz JALTXQGBQDHCHD-MRXNPFEDSA-N 1 0 247.426 4.342 10 0 BIAERO CCCC[C@H](Cc1cccc(C)c1)[NH2+]CCC ZINC000103939569 169006034 /nfs/dbraw/zinc/00/60/34/169006034.db2.gz ZLVRFYVFANTWCI-MRXNPFEDSA-N 1 0 233.399 4.096 10 0 BIAERO CC[NH2+][C@H](CC1CCCC1)[C@@H]1CCC[C@H](C)C1 ZINC000103939600 170161780 /nfs/dbraw/zinc/16/17/80/170161780.db2.gz APUUNJHVLJHNDZ-NUEKZKHPSA-N 1 0 237.431 4.371 10 0 BIAERO CC[NH2+][C@H](CC1CCCC1)[C@H]1CCC[C@H](C)C1 ZINC000103939604 170161307 /nfs/dbraw/zinc/16/13/07/170161307.db2.gz APUUNJHVLJHNDZ-CWRNSKLLSA-N 1 0 237.431 4.371 10 0 BIAERO CC[NH2+][C@@H](CCC(C)(C)C)Cc1ccc(C)cc1 ZINC000103939640 170144188 /nfs/dbraw/zinc/14/41/88/170144188.db2.gz SGGMPEQXJUASBO-INIZCTEOSA-N 1 0 247.426 4.342 10 0 BIAERO CC[NH2+][C@H](CCC(C)(C)C)Cc1ccc(C)cc1 ZINC000103939643 170161514 /nfs/dbraw/zinc/16/15/14/170161514.db2.gz SGGMPEQXJUASBO-MRXNPFEDSA-N 1 0 247.426 4.342 10 0 BIAERO CCCC[C@H](Cc1ccc(C)cc1)[NH2+]CCC ZINC000103939649 169006312 /nfs/dbraw/zinc/00/63/12/169006312.db2.gz DFTUFURPRBZOKA-MRXNPFEDSA-N 1 0 233.399 4.096 10 0 BIAERO C[NH2+][C@@H](C)[C@H](Cc1ccc(C(C)C)cc1)C(C)C ZINC000103940257 173418054 /nfs/dbraw/zinc/41/80/54/173418054.db2.gz YGZBQXXYNQPLTL-WMLDXEAASA-N 1 0 247.426 4.233 10 0 BIAERO CCc1ccc(C2([NH3+])CCC(C(C)C)CC2)cc1 ZINC000103940534 171789397 /nfs/dbraw/zinc/78/93/97/171789397.db2.gz RSXCAFOTXLWRGA-UHFFFAOYSA-N 1 0 245.410 4.249 10 0 BIAERO Cc1cccc(C2([NH3+])CCC(C(C)C)CC2)c1C ZINC000103940542 179051083 /nfs/dbraw/zinc/05/10/83/179051083.db2.gz WBINMNGEEYVGBP-UHFFFAOYSA-N 1 0 245.410 4.304 10 0 BIAERO CCC[NH2+][C@@H](CC)Cc1ccc(C(C)(C)C)cc1 ZINC000103940718 169277920 /nfs/dbraw/zinc/27/79/20/169277920.db2.gz WLZQXBSBPRFRBS-INIZCTEOSA-N 1 0 247.426 4.305 10 0 BIAERO CCC[NH2+][C@H](CC)Cc1ccc(C(C)(C)C)cc1 ZINC000103940721 169288472 /nfs/dbraw/zinc/28/84/72/169288472.db2.gz WLZQXBSBPRFRBS-MRXNPFEDSA-N 1 0 247.426 4.305 10 0 BIAERO Cc1cc(C)cc(C[C@H]([NH3+])CC2CCCCC2)c1 ZINC000103940866 188323659 /nfs/dbraw/zinc/32/36/59/188323659.db2.gz KLKRDBRJFSGKST-QGZVFWFLSA-N 1 0 245.410 4.144 10 0 BIAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)C[C@H](C)CC ZINC000103940878 170162698 /nfs/dbraw/zinc/16/26/98/170162698.db2.gz DGFYQOZYCKLVPT-DYVFJYSZSA-N 1 0 247.426 4.260 10 0 BIAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)C[C@@H](C)CC ZINC000103940880 170162322 /nfs/dbraw/zinc/16/23/22/170162322.db2.gz DGFYQOZYCKLVPT-GUYCJALGSA-N 1 0 247.426 4.260 10 0 BIAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)C[C@H](C)CC ZINC000103940884 170146255 /nfs/dbraw/zinc/14/62/55/170146255.db2.gz DGFYQOZYCKLVPT-CXAGYDPISA-N 1 0 247.426 4.260 10 0 BIAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)C[C@@H](C)CC ZINC000103940889 170146427 /nfs/dbraw/zinc/14/64/27/170146427.db2.gz DGFYQOZYCKLVPT-SUMWQHHRSA-N 1 0 247.426 4.260 10 0 BIAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000103941522 169276377 /nfs/dbraw/zinc/27/63/77/169276377.db2.gz FDYCORHMLWVPAU-GJZGRUSLSA-N 1 0 247.426 4.377 10 0 BIAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000103941524 169286346 /nfs/dbraw/zinc/28/63/46/169286346.db2.gz FDYCORHMLWVPAU-LSDHHAIUSA-N 1 0 247.426 4.377 10 0 BIAERO CCC[NH2+][C@@H](C)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000103941525 169275918 /nfs/dbraw/zinc/27/59/18/169275918.db2.gz FDYCORHMLWVPAU-CABCVRRESA-N 1 0 247.426 4.377 10 0 BIAERO CCC[NH2+][C@H](C)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000103941528 169286034 /nfs/dbraw/zinc/28/60/34/169286034.db2.gz FDYCORHMLWVPAU-HUUCEWRRSA-N 1 0 247.426 4.377 10 0 BIAERO CCCC1CCC([NH3+])(c2ccc(C)c(C)c2)CC1 ZINC000103941886 168604529 /nfs/dbraw/zinc/60/45/29/168604529.db2.gz SGSMBVAHNPHNJM-UHFFFAOYSA-N 1 0 245.410 4.448 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@@H]1CCC[C@H](C)C1 ZINC000103942189 170163068 /nfs/dbraw/zinc/16/30/68/170163068.db2.gz NSTYGCHBYKVFCF-USXIJHARSA-N 1 0 245.410 4.472 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@H]1CCC[C@H](C)C1 ZINC000103942192 170163223 /nfs/dbraw/zinc/16/32/23/170163223.db2.gz NSTYGCHBYKVFCF-BHYGNILZSA-N 1 0 245.410 4.472 10 0 BIAERO CC[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C)[NH2+]C ZINC000103942787 171469190 /nfs/dbraw/zinc/46/91/90/171469190.db2.gz DDFRHUWZIBTVQR-UKRRQHHQSA-N 1 0 247.426 4.161 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@@H]1Cc1cccc(C)c1 ZINC000103942833 170150448 /nfs/dbraw/zinc/15/04/48/170150448.db2.gz VOVJPTXPEYKNLO-IAGOWNOFSA-N 1 0 245.410 4.096 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@@H]1Cc1cccc(C)c1 ZINC000103942836 170166211 /nfs/dbraw/zinc/16/62/11/170166211.db2.gz VOVJPTXPEYKNLO-SJORKVTESA-N 1 0 245.410 4.096 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@H]1Cc1cccc(C)c1 ZINC000103942837 170150149 /nfs/dbraw/zinc/15/01/49/170150149.db2.gz VOVJPTXPEYKNLO-DLBZAZTESA-N 1 0 245.410 4.096 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@H]1Cc1cccc(C)c1 ZINC000103942839 170166241 /nfs/dbraw/zinc/16/62/41/170166241.db2.gz VOVJPTXPEYKNLO-IRXDYDNUSA-N 1 0 245.410 4.096 10 0 BIAERO CCCC[C@H]([NH2+]CCC)c1ccc(C)c(F)c1 ZINC000103943371 169011862 /nfs/dbraw/zinc/01/18/62/169011862.db2.gz JCBSMKNEKAFKAL-HNNXBMFYSA-N 1 0 237.362 4.365 10 0 BIAERO CCC[C@@H](C)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000103943527 169361462 /nfs/dbraw/zinc/36/14/62/169361462.db2.gz HLILIGBHFBOJHJ-YHXWVGAOSA-N 1 0 249.442 4.356 10 0 BIAERO CCC[C@@H](C)C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000103943534 169361759 /nfs/dbraw/zinc/36/17/59/169361759.db2.gz HLILIGBHFBOJHJ-BWAJOPIQSA-N 1 0 249.442 4.356 10 0 BIAERO CC[NH2+][C@H](C(C)(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000103943561 170156154 /nfs/dbraw/zinc/15/61/54/170156154.db2.gz VUBKPTUSSLUTIL-UZZMVUAXSA-N 1 0 249.442 4.227 10 0 BIAERO CC[NH2+][C@@H](C(C)(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000103943563 170137770 /nfs/dbraw/zinc/13/77/70/170137770.db2.gz VUBKPTUSSLUTIL-RDVIWEACSA-N 1 0 249.442 4.227 10 0 BIAERO CCC[NH2+][C@@H](C(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000103943591 169273830 /nfs/dbraw/zinc/27/38/30/169273830.db2.gz YVLDYJFBTOYEAT-KLZNEWFBSA-N 1 0 249.442 4.227 10 0 BIAERO CCC[NH2+][C@H](C(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000103943593 169284657 /nfs/dbraw/zinc/28/46/57/169284657.db2.gz YVLDYJFBTOYEAT-YYUOFMGYSA-N 1 0 249.442 4.227 10 0 BIAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1cc(C)cc(C)c1 ZINC000103944119 169275943 /nfs/dbraw/zinc/27/59/43/169275943.db2.gz KOJGDDGBFNWCCY-RDJZCZTQSA-N 1 0 247.426 4.260 10 0 BIAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1cc(C)cc(C)c1 ZINC000103944123 169286030 /nfs/dbraw/zinc/28/60/30/169286030.db2.gz KOJGDDGBFNWCCY-WBVHZDCISA-N 1 0 247.426 4.260 10 0 BIAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1cc(C)cc(C)c1 ZINC000103944126 169275527 /nfs/dbraw/zinc/27/55/27/169275527.db2.gz KOJGDDGBFNWCCY-DOTOQJQBSA-N 1 0 247.426 4.260 10 0 BIAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1cc(C)cc(C)c1 ZINC000103944130 169285768 /nfs/dbraw/zinc/28/57/68/169285768.db2.gz KOJGDDGBFNWCCY-NVXWUHKLSA-N 1 0 247.426 4.260 10 0 BIAERO CCC[C@@H]1CC[C@H]([NH3+])[C@H](Cc2cccc(C)c2)C1 ZINC000103944204 169420464 /nfs/dbraw/zinc/42/04/64/169420464.db2.gz STEBCAAWEQLJCY-PVAVHDDUSA-N 1 0 245.410 4.081 10 0 BIAERO CCC[C@@H]1CC[C@@H]([NH3+])[C@H](Cc2cccc(C)c2)C1 ZINC000103944211 169420275 /nfs/dbraw/zinc/42/02/75/169420275.db2.gz STEBCAAWEQLJCY-HYVNUMGLSA-N 1 0 245.410 4.081 10 0 BIAERO CCCc1ccc(C2([NH3+])CCC(C)CC2)cc1 ZINC000103944468 169571196 /nfs/dbraw/zinc/57/11/96/169571196.db2.gz RIGZONXQJKOVCY-UHFFFAOYSA-N 1 0 231.383 4.003 10 0 BIAERO CC(C)c1ccc(CC2([NH3+])CCC(C)CC2)cc1 ZINC000103944475 168160186 /nfs/dbraw/zinc/16/01/86/168160186.db2.gz KBFWQPKFYXLCMG-UHFFFAOYSA-N 1 0 245.410 4.260 10 0 BIAERO CCCC[C@@H](CC)C[C@H]([NH3+])Cc1ccccc1 ZINC000103944666 168959256 /nfs/dbraw/zinc/95/92/56/168959256.db2.gz YKJIJBFUJNNGCA-ZBFHGGJFSA-N 1 0 233.399 4.163 10 0 BIAERO CC[NH2+][C@@H](c1ccc(F)cc1C)C1CCCCC1 ZINC000103944754 170147252 /nfs/dbraw/zinc/14/72/52/170147252.db2.gz CHDAKKGVYAQVSU-MRXNPFEDSA-N 1 0 249.373 4.365 10 0 BIAERO CC[NH2+][C@H](c1ccc(F)cc1C)C1CCCCC1 ZINC000103944759 170164010 /nfs/dbraw/zinc/16/40/10/170164010.db2.gz CHDAKKGVYAQVSU-INIZCTEOSA-N 1 0 249.373 4.365 10 0 BIAERO CCC[NH2+][C@@H](c1cc(F)ccc1C)C1CCCC1 ZINC000103944762 169278936 /nfs/dbraw/zinc/27/89/36/169278936.db2.gz GSRJIWKOFMRURH-MRXNPFEDSA-N 1 0 249.373 4.365 10 0 BIAERO CCC[NH2+][C@H](c1cc(F)ccc1C)C1CCCC1 ZINC000103944764 169290213 /nfs/dbraw/zinc/29/02/13/169290213.db2.gz GSRJIWKOFMRURH-INIZCTEOSA-N 1 0 249.373 4.365 10 0 BIAERO CC(C)c1ccc(C[C@]2([NH3+])CCCC[C@H]2C)cc1 ZINC000103946139 167601734 /nfs/dbraw/zinc/60/17/34/167601734.db2.gz GJIBZMMBLJDRFU-RHSMWYFYSA-N 1 0 245.410 4.260 10 0 BIAERO CCC[NH2+][C@H](C1CCCC1)[C@@H]1CCC[C@H](C)C1 ZINC000103946639 169287940 /nfs/dbraw/zinc/28/79/40/169287940.db2.gz KSRMKJVZMUDBHY-NUEKZKHPSA-N 1 0 237.431 4.371 10 0 BIAERO CCC[NH2+][C@H](C1CCCC1)[C@H]1CCC[C@H](C)C1 ZINC000103946653 169288393 /nfs/dbraw/zinc/28/83/93/169288393.db2.gz KSRMKJVZMUDBHY-CWRNSKLLSA-N 1 0 237.431 4.371 10 0 BIAERO CCC[NH2+][C@@H](C)[C@@H](Cc1ccc(C)cc1)C(C)C ZINC000103947591 169275570 /nfs/dbraw/zinc/27/55/70/169275570.db2.gz SRLGRBJCTVPRIF-RDJZCZTQSA-N 1 0 247.426 4.198 10 0 BIAERO CCC[NH2+][C@H](C)[C@@H](Cc1ccc(C)cc1)C(C)C ZINC000103947597 169285932 /nfs/dbraw/zinc/28/59/32/169285932.db2.gz SRLGRBJCTVPRIF-WBVHZDCISA-N 1 0 247.426 4.198 10 0 BIAERO CCC[NH2+][C@@H](C)[C@H](Cc1ccc(C)cc1)C(C)C ZINC000103947601 169276338 /nfs/dbraw/zinc/27/63/38/169276338.db2.gz SRLGRBJCTVPRIF-DOTOQJQBSA-N 1 0 247.426 4.198 10 0 BIAERO CCC[NH2+][C@H](C)[C@H](Cc1ccc(C)cc1)C(C)C ZINC000103947606 169287485 /nfs/dbraw/zinc/28/74/85/169287485.db2.gz SRLGRBJCTVPRIF-NVXWUHKLSA-N 1 0 247.426 4.198 10 0 BIAERO Cc1ccc([C@@]2([NH3+])C[C@H](C)CC(C)(C)C2)c(C)c1 ZINC000103947888 178881688 /nfs/dbraw/zinc/88/16/88/178881688.db2.gz ABDTUJLBFHVNAW-CXAGYDPISA-N 1 0 245.410 4.304 10 0 BIAERO CC(C)(c1ccccc1)[C@@H]([NH3+])CC1CCCCC1 ZINC000103948523 187804272 /nfs/dbraw/zinc/80/42/72/187804272.db2.gz IQYJIRLWMFLNLI-INIZCTEOSA-N 1 0 245.410 4.262 10 0 BIAERO CCCC[C@H]([NH3+])C1(c2ccccc2)CCCCC1 ZINC000103948631 169009387 /nfs/dbraw/zinc/00/93/87/169009387.db2.gz OWFQHIGJMYJRAB-INIZCTEOSA-N 1 0 245.410 4.406 10 0 BIAERO CC(C)(C)[C@@H]1CCCC[C@]1([NH3+])c1ccccc1F ZINC000103949594 187977804 /nfs/dbraw/zinc/97/78/04/187977804.db2.gz IEPBJUKYZIPWLN-HOCLYGCPSA-N 1 0 249.373 4.216 10 0 BIAERO CC(C)(C)[C@H]1CCCC[C@]1([NH3+])c1ccccc1F ZINC000103949600 188324199 /nfs/dbraw/zinc/32/41/99/188324199.db2.gz IEPBJUKYZIPWLN-ZBFHGGJFSA-N 1 0 249.373 4.216 10 0 BIAERO CC(C)(C)[C@H]1CCCC[C@@]1([NH3+])c1ccccc1F ZINC000103949606 188150927 /nfs/dbraw/zinc/15/09/27/188150927.db2.gz IEPBJUKYZIPWLN-GDBMZVCRSA-N 1 0 249.373 4.216 10 0 BIAERO CC[NH2+][C@@H](Cc1ccccc1)CC1CCCCC1 ZINC000103949803 170146895 /nfs/dbraw/zinc/14/68/95/170146895.db2.gz WFWNDUDSATTZIS-KRWDZBQOSA-N 1 0 245.410 4.178 10 0 BIAERO CC[NH2+][C@H](Cc1ccccc1)CC1CCCCC1 ZINC000103949808 170162635 /nfs/dbraw/zinc/16/26/35/170162635.db2.gz WFWNDUDSATTZIS-QGZVFWFLSA-N 1 0 245.410 4.178 10 0 BIAERO CCC[NH2+][C@@H](CCC(C)(C)C)Cc1ccccc1 ZINC000103949824 169278084 /nfs/dbraw/zinc/27/80/84/169278084.db2.gz YKLPRRGXFAYATJ-INIZCTEOSA-N 1 0 247.426 4.424 10 0 BIAERO CCC[NH2+][C@H](CCC(C)(C)C)Cc1ccccc1 ZINC000103949827 169289434 /nfs/dbraw/zinc/28/94/34/169289434.db2.gz YKLPRRGXFAYATJ-MRXNPFEDSA-N 1 0 247.426 4.424 10 0 BIAERO CC[NH2+][C@@H](Cc1ccc(C(C)C)cc1)CC(C)C ZINC000103949831 170145769 /nfs/dbraw/zinc/14/57/69/170145769.db2.gz LNNNKJZVEHJQSX-QGZVFWFLSA-N 1 0 247.426 4.377 10 0 BIAERO CC[NH2+][C@H](Cc1ccc(C(C)C)cc1)CC(C)C ZINC000103949836 170162087 /nfs/dbraw/zinc/16/20/87/170162087.db2.gz LNNNKJZVEHJQSX-KRWDZBQOSA-N 1 0 247.426 4.377 10 0 BIAERO CC[NH2+][C@H](C(C)C)C(CC)(CC)c1ccccc1 ZINC000103950055 170155938 /nfs/dbraw/zinc/15/59/38/170155938.db2.gz LRDINTLRSSYHAW-MRXNPFEDSA-N 1 0 247.426 4.379 10 0 BIAERO CC[NH2+][C@@H](C(C)C)C(CC)(CC)c1ccccc1 ZINC000103950059 170137813 /nfs/dbraw/zinc/13/78/13/170137813.db2.gz LRDINTLRSSYHAW-INIZCTEOSA-N 1 0 247.426 4.379 10 0 BIAERO Cc1ccc([C@@]2([NH3+])C[C@H](C)CC(C)(C)C2)cc1C ZINC000103951225 178881191 /nfs/dbraw/zinc/88/11/91/178881191.db2.gz BWEPLEOAJXSPNI-SJKOYZFVSA-N 1 0 245.410 4.304 10 0 BIAERO CC[NH2+][C@@H](CCc1ccccc1)CCC(C)(C)C ZINC000103951589 170145349 /nfs/dbraw/zinc/14/53/49/170145349.db2.gz CPFSRURCRBXYKL-INIZCTEOSA-N 1 0 247.426 4.424 10 0 BIAERO CC[NH2+][C@H](CCc1ccccc1)CCC(C)(C)C ZINC000103951592 170162670 /nfs/dbraw/zinc/16/26/70/170162670.db2.gz CPFSRURCRBXYKL-MRXNPFEDSA-N 1 0 247.426 4.424 10 0 BIAERO CC(C)(C)CC[C@H]([NH3+])[C@@H]1CCCc2ccccc21 ZINC000103951835 166575873 /nfs/dbraw/zinc/57/58/73/166575873.db2.gz VHSYYDSXIRTSCF-CVEARBPZSA-N 1 0 245.410 4.260 10 0 BIAERO CC[NH2+][C@@H](CCc1cc(C)cc(C)c1)C(C)(C)C ZINC000103952517 170144720 /nfs/dbraw/zinc/14/47/20/170144720.db2.gz OZCNPTRMAAECFI-INIZCTEOSA-N 1 0 247.426 4.260 10 0 BIAERO CC[NH2+][C@H](CCc1cc(C)cc(C)c1)C(C)(C)C ZINC000103952522 170162244 /nfs/dbraw/zinc/16/22/44/170162244.db2.gz OZCNPTRMAAECFI-MRXNPFEDSA-N 1 0 247.426 4.260 10 0 BIAERO CCCC[C@@H](CC)C[C@]1([NH3+])CCc2ccccc21 ZINC000103953035 168959186 /nfs/dbraw/zinc/95/91/86/168959186.db2.gz ZYBBSVLXZMUVJR-RHSMWYFYSA-N 1 0 245.410 4.393 10 0 BIAERO CCCC[C@H](CC)C[C@]1([NH3+])CCc2ccccc21 ZINC000103953040 169000038 /nfs/dbraw/zinc/00/00/38/169000038.db2.gz ZYBBSVLXZMUVJR-WMLDXEAASA-N 1 0 245.410 4.393 10 0 BIAERO CC[C@H](C)C[C@]1([NH3+])CCCC[C@@H]1c1ccccc1 ZINC000103953077 171299518 /nfs/dbraw/zinc/29/95/18/171299518.db2.gz MGQQBAIZEADLOA-USXIJHARSA-N 1 0 245.410 4.478 10 0 BIAERO CC[C@H](C)C[C@@]1([NH3+])CCCC[C@@H]1c1ccccc1 ZINC000103953084 171296547 /nfs/dbraw/zinc/29/65/47/171296547.db2.gz MGQQBAIZEADLOA-UAGQMJEPSA-N 1 0 245.410 4.478 10 0 BIAERO CCC[C@@H](C)C[C@@]([NH3+])(CCC)c1ccccc1 ZINC000103953091 169361632 /nfs/dbraw/zinc/36/16/32/169361632.db2.gz LSJDUBNOZNWDPG-ZBFHGGJFSA-N 1 0 233.399 4.467 10 0 BIAERO CCC[C@@H](C)C[C@]([NH3+])(CCC)c1ccccc1 ZINC000103953099 169362532 /nfs/dbraw/zinc/36/25/32/169362532.db2.gz LSJDUBNOZNWDPG-GDBMZVCRSA-N 1 0 233.399 4.467 10 0 BIAERO CCCNc1cc(C2CC2)[nH+]c2ccc(F)cc12 ZINC000103953490 169293615 /nfs/dbraw/zinc/29/36/15/169293615.db2.gz WXJDXVHSYVTWNO-UHFFFAOYSA-N 1 0 244.313 4.073 10 0 BIAERO CCCc1cccc2c(NC)cc(C3CC3)[nH+]c12 ZINC000103957252 169577572 /nfs/dbraw/zinc/57/75/72/169577572.db2.gz KAZFRGFBBISAEV-UHFFFAOYSA-N 1 0 240.350 4.106 10 0 BIAERO CCCNc1cc(C2CC2)[nH+]c2ccc(C)cc12 ZINC000103963352 169293836 /nfs/dbraw/zinc/29/38/36/169293836.db2.gz OTLVTYHFPGYULU-UHFFFAOYSA-N 1 0 240.350 4.243 10 0 BIAERO CCNc1cc(C2CC2)[nH+]c2ccc(CC)cc12 ZINC000103963357 170171986 /nfs/dbraw/zinc/17/19/86/170171986.db2.gz ODUARCXLBFQMRX-UHFFFAOYSA-N 1 0 240.350 4.106 10 0 BIAERO Cc1cc(C[NH2+]CC2CCC(C)CC2)ccc1F ZINC000103968403 178020210 /nfs/dbraw/zinc/02/02/10/178020210.db2.gz UPVYONORDKVFJW-UHFFFAOYSA-N 1 0 249.373 4.050 10 0 BIAERO CCCCC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1C ZINC000103969702 168743577 /nfs/dbraw/zinc/74/35/77/168743577.db2.gz AOUSUIKPYIUMOJ-HOTGVXAUSA-N 1 0 247.426 4.484 10 0 BIAERO CCCOc1cccc(C[NH2+]CCCC(C)C)c1 ZINC000103969811 169325040 /nfs/dbraw/zinc/32/50/40/169325040.db2.gz GARXGIVDZARXNR-UHFFFAOYSA-N 1 0 249.398 4.001 10 0 BIAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000103969944 176077504 /nfs/dbraw/zinc/07/75/04/176077504.db2.gz XCBSQGANZXXTDC-FRFSOERESA-N 1 0 243.394 4.090 10 0 BIAERO C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000103969947 177081156 /nfs/dbraw/zinc/08/11/56/177081156.db2.gz XCBSQGANZXXTDC-YSVLISHTSA-N 1 0 243.394 4.090 10 0 BIAERO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000103969952 176085171 /nfs/dbraw/zinc/08/51/71/176085171.db2.gz XCBSQGANZXXTDC-UKPHBRMFSA-N 1 0 243.394 4.090 10 0 BIAERO C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000103969956 177086092 /nfs/dbraw/zinc/08/60/92/177086092.db2.gz XCBSQGANZXXTDC-JLJPHGGASA-N 1 0 243.394 4.090 10 0 BIAERO CCC[C@@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC000103970096 169359754 /nfs/dbraw/zinc/35/97/54/169359754.db2.gz VGQSNMKAFAPSSU-CQSZACIVSA-N 1 0 241.378 4.366 10 0 BIAERO CC[C@@H](C)[C@@H](c1ccccc1)[C@@H]1CCCCC[NH2+]1 ZINC000103971259 170784914 /nfs/dbraw/zinc/78/49/14/170784914.db2.gz YSUAECOAYHMGQE-PVAVHDDUSA-N 1 0 245.410 4.349 10 0 BIAERO CC[C@H](C)[C@@H](c1ccccc1)[C@@H]1CCCCC[NH2+]1 ZINC000103971261 171381254 /nfs/dbraw/zinc/38/12/54/171381254.db2.gz YSUAECOAYHMGQE-XIRDDKMYSA-N 1 0 245.410 4.349 10 0 BIAERO Cc1cc(C)cc(C[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000103971713 188323812 /nfs/dbraw/zinc/32/38/12/188323812.db2.gz MMEFLQKLPBRTJN-HNNXBMFYSA-N 1 0 245.410 4.362 10 0 BIAERO Cc1cc(C[NH2+][C@@H](C)C2CCCCC2)ccc1F ZINC000103971721 178029196 /nfs/dbraw/zinc/02/91/96/178029196.db2.gz AKLSUZXEQJPVAG-ZDUSSCGKSA-N 1 0 249.373 4.193 10 0 BIAERO Cc1cc(C[NH2+][C@H](C)C2CCCCC2)ccc1F ZINC000103971725 178036576 /nfs/dbraw/zinc/03/65/76/178036576.db2.gz AKLSUZXEQJPVAG-CYBMUJFWSA-N 1 0 249.373 4.193 10 0 BIAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000103973056 179321344 /nfs/dbraw/zinc/32/13/44/179321344.db2.gz ZLLJNKSHAOJULI-IMJJTQAJSA-N 1 0 245.410 4.472 10 0 BIAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000103973060 179336924 /nfs/dbraw/zinc/33/69/24/179336924.db2.gz ZLLJNKSHAOJULI-BPUTZDHNSA-N 1 0 245.410 4.472 10 0 BIAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000103973064 179322197 /nfs/dbraw/zinc/32/21/97/179322197.db2.gz ZLLJNKSHAOJULI-NUEKZKHPSA-N 1 0 245.410 4.472 10 0 BIAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000103973068 179336722 /nfs/dbraw/zinc/33/67/22/179336722.db2.gz ZLLJNKSHAOJULI-CWRNSKLLSA-N 1 0 245.410 4.472 10 0 BIAERO Cc1cccc(C[NH2+]CCC2CCCCC2)c1C ZINC000103974486 179090331 /nfs/dbraw/zinc/09/03/31/179090331.db2.gz DOHAHYZVKAWLNY-UHFFFAOYSA-N 1 0 245.410 4.363 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000103974715 170908829 /nfs/dbraw/zinc/90/88/29/170908829.db2.gz WJYZSTJKRAPEPU-GOEBONIOSA-N 1 0 233.399 4.389 10 0 BIAERO CC1CCC(C[NH2+]CCCc2ccccc2)CC1 ZINC000103975040 168155118 /nfs/dbraw/zinc/15/51/18/168155118.db2.gz YTRPDOSQCAZDGD-UHFFFAOYSA-N 1 0 245.410 4.035 10 0 BIAERO CCCCCC[C@@H](C)OC[C@H](CCC)[NH2+]CC ZINC000103976048 168675127 /nfs/dbraw/zinc/67/51/27/168675127.db2.gz RDGRHHVHZSIPBY-CABCVRRESA-N 1 0 243.435 4.140 10 0 BIAERO Cc1cc(F)ccc1C[NH2+]CCC1CCCCC1 ZINC000103976332 178085963 /nfs/dbraw/zinc/08/59/63/178085963.db2.gz ILKCPRDGCOQATO-UHFFFAOYSA-N 1 0 249.373 4.194 10 0 BIAERO CCc1ccc(C[NH2+][C@@H](C)C2CCCCC2)cc1 ZINC000103976773 171808229 /nfs/dbraw/zinc/80/82/29/171808229.db2.gz PFMCYYWBBTYJHC-AWEZNQCLSA-N 1 0 245.410 4.307 10 0 BIAERO CCc1ccc(C[NH2+][C@H](C)C2CCCCC2)cc1 ZINC000103976777 171810849 /nfs/dbraw/zinc/81/08/49/171810849.db2.gz PFMCYYWBBTYJHC-CQSZACIVSA-N 1 0 245.410 4.307 10 0 BIAERO C[C@H]([NH2+]CC1CCC(C)CC1)c1ccc(F)cc1 ZINC000103976887 168156433 /nfs/dbraw/zinc/15/64/33/168156433.db2.gz NQNUCUUCNOCZHE-MOKVOYLWSA-N 1 0 249.373 4.303 10 0 BIAERO C[C@@H]([NH2+]CC1CCC(C)CC1)c1ccc(F)cc1 ZINC000103976893 168156300 /nfs/dbraw/zinc/15/63/00/168156300.db2.gz NQNUCUUCNOCZHE-ROKHWSDSSA-N 1 0 249.373 4.303 10 0 BIAERO CCC1CCC(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC000103978520 168515560 /nfs/dbraw/zinc/51/55/60/168515560.db2.gz JVOXXJVAPVUAOD-UHFFFAOYSA-N 1 0 245.410 4.301 10 0 BIAERO Cc1ccc([C@H](C)[NH2+]CCCC(C)C)c(C)c1 ZINC000103978553 178888800 /nfs/dbraw/zinc/88/88/00/178888800.db2.gz TZOPWJNILJYPGT-HNNXBMFYSA-N 1 0 233.399 4.390 10 0 BIAERO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)c(C)c1 ZINC000103978691 178611502 /nfs/dbraw/zinc/61/15/02/178611502.db2.gz OEPBDZBMNBTHHZ-GOEBONIOSA-N 1 0 245.410 4.219 10 0 BIAERO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)c(C)c1 ZINC000103978696 178611023 /nfs/dbraw/zinc/61/10/23/178611023.db2.gz OEPBDZBMNBTHHZ-ZBFHGGJFSA-N 1 0 245.410 4.219 10 0 BIAERO CC[C@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000103978882 171285964 /nfs/dbraw/zinc/28/59/64/171285964.db2.gz WOPHUAWQLLIYFA-NHYWBVRUSA-N 1 0 233.399 4.309 10 0 BIAERO CC[C@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000103978890 171286997 /nfs/dbraw/zinc/28/69/97/171286997.db2.gz WOPHUAWQLLIYFA-XHDPSFHLSA-N 1 0 233.399 4.309 10 0 BIAERO CC[C@H](C)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000103978899 171286759 /nfs/dbraw/zinc/28/67/59/171286759.db2.gz FUCBWKUWLDRSHP-XJKSGUPXSA-N 1 0 231.383 4.090 10 0 BIAERO CC[C@H](C)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000103978904 171287844 /nfs/dbraw/zinc/28/78/44/171287844.db2.gz FUCBWKUWLDRSHP-BBRMVZONSA-N 1 0 231.383 4.090 10 0 BIAERO CCC1CCC(C[NH2+]CCc2ccccc2)CC1 ZINC000103980346 168514478 /nfs/dbraw/zinc/51/44/78/168514478.db2.gz ZGJUWHOWRJJSIG-UHFFFAOYSA-N 1 0 245.410 4.035 10 0 BIAERO CC[C@@H]([NH2+]CCCC(C)C)c1ccc(C)cc1 ZINC000103980364 170893677 /nfs/dbraw/zinc/89/36/77/170893677.db2.gz NDIIYEACQSEDRT-MRXNPFEDSA-N 1 0 233.399 4.472 10 0 BIAERO CC1CCC(C[NH2+]C2[C@H](C)CCC[C@@H]2C)CC1 ZINC000103980747 168155402 /nfs/dbraw/zinc/15/54/02/168155402.db2.gz OPSQJVOPRWZOPP-KDJGIRDZSA-N 1 0 237.431 4.227 10 0 BIAERO CC1CCC(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000103980750 168154830 /nfs/dbraw/zinc/15/48/30/168154830.db2.gz OPSQJVOPRWZOPP-GQKFXUNGSA-N 1 0 237.431 4.227 10 0 BIAERO CC1CCC(C[NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000103980752 168155553 /nfs/dbraw/zinc/15/55/53/168155553.db2.gz OPSQJVOPRWZOPP-PIOWNMBXSA-N 1 0 237.431 4.227 10 0 BIAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000103982215 170773502 /nfs/dbraw/zinc/77/35/02/170773502.db2.gz AFFGGPRELYLGBM-IBEHDNSVSA-N 1 0 237.431 4.370 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000103982218 171366456 /nfs/dbraw/zinc/36/64/56/171366456.db2.gz AFFGGPRELYLGBM-ZVDSWSACSA-N 1 0 237.431 4.370 10 0 BIAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000103982221 170792295 /nfs/dbraw/zinc/79/22/95/170792295.db2.gz AFFGGPRELYLGBM-LYYZXLFJSA-N 1 0 237.431 4.370 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000103982223 171390795 /nfs/dbraw/zinc/39/07/95/171390795.db2.gz AFFGGPRELYLGBM-RFBLXINOSA-N 1 0 237.431 4.370 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000103982348 169379916 /nfs/dbraw/zinc/37/99/16/169379916.db2.gz AGJQXHNFKKTCCS-SUMWQHHRSA-N 1 0 245.410 4.405 10 0 BIAERO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000103982352 187291257 /nfs/dbraw/zinc/29/12/57/187291257.db2.gz AGJQXHNFKKTCCS-GUYCJALGSA-N 1 0 245.410 4.405 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000103982356 169380729 /nfs/dbraw/zinc/38/07/29/169380729.db2.gz AGJQXHNFKKTCCS-CXAGYDPISA-N 1 0 245.410 4.405 10 0 BIAERO c1ccc(CCC[NH2+]CCC2CCCCC2)cc1 ZINC000103983505 183391601 /nfs/dbraw/zinc/39/16/01/183391601.db2.gz JEJXZWVBENYWDR-UHFFFAOYSA-N 1 0 245.410 4.179 10 0 BIAERO CC(C)CCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000103983671 166815786 /nfs/dbraw/zinc/81/57/86/166815786.db2.gz VIEKSXVUUKCXRH-UHFFFAOYSA-N 1 0 233.399 4.336 10 0 BIAERO Cc1cc(C)c(C[NH2+]C2(C)CCCCC2)cc1C ZINC000103983828 177861049 /nfs/dbraw/zinc/86/10/49/177861049.db2.gz GGIDCCUXGXBBBW-UHFFFAOYSA-N 1 0 245.410 4.424 10 0 BIAERO Cc1cccc(CC[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000103983876 179058791 /nfs/dbraw/zinc/05/87/91/179058791.db2.gz WLQCVGBBMPGBOP-HNNXBMFYSA-N 1 0 245.410 4.096 10 0 BIAERO Cc1cccc(CC[NH2+][C@H](C)C2CCCCC2)c1 ZINC000103983881 179060308 /nfs/dbraw/zinc/06/03/08/179060308.db2.gz WLQCVGBBMPGBOP-OAHLLOKOSA-N 1 0 245.410 4.096 10 0 BIAERO CCCNc1cc[nH+]c2ccc(CCC)cc12 ZINC000103985024 169296129 /nfs/dbraw/zinc/29/61/29/169296129.db2.gz QELKNADSFRHPSN-UHFFFAOYSA-N 1 0 228.339 4.009 10 0 BIAERO CCCCc1ccc2[nH+]ccc(NCC)c2c1 ZINC000103985033 169024723 /nfs/dbraw/zinc/02/47/23/169024723.db2.gz QAAMAVGQFSXWSN-UHFFFAOYSA-N 1 0 228.339 4.009 10 0 BIAERO CC(C)CC[C@@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000103985297 166891320 /nfs/dbraw/zinc/89/13/20/166891320.db2.gz FQUJCAOQDCIZJM-OAHLLOKOSA-N 1 0 247.426 4.379 10 0 BIAERO CC(C)CCC[NH2+]Cc1cccc2ccccc21 ZINC000103985317 166815532 /nfs/dbraw/zinc/81/55/32/166815532.db2.gz CINSRNQCSYCYIO-UHFFFAOYSA-N 1 0 241.378 4.366 10 0 BIAERO CC[C@H]([NH2+]C[C@H]1CC=CCC1)C1CCCCC1 ZINC000103985633 171528665 /nfs/dbraw/zinc/52/86/65/171528665.db2.gz RSUJQLRNAPFFHP-HOCLYGCPSA-N 1 0 235.415 4.291 10 0 BIAERO CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)C1CCCCC1 ZINC000103985642 170898580 /nfs/dbraw/zinc/89/85/80/170898580.db2.gz RSUJQLRNAPFFHP-GDBMZVCRSA-N 1 0 235.415 4.291 10 0 BIAERO Cc1ccccc1C[NH2+]C1CCC(C(C)C)CC1 ZINC000103986886 179280642 /nfs/dbraw/zinc/28/06/42/179280642.db2.gz OCTIVYHSUHCDJA-UHFFFAOYSA-N 1 0 245.410 4.299 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000103987322 169379085 /nfs/dbraw/zinc/37/90/85/169379085.db2.gz KSVWAUVZRYULIR-XJKSGUPXSA-N 1 0 233.399 4.478 10 0 BIAERO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000103987330 169380272 /nfs/dbraw/zinc/38/02/72/169380272.db2.gz KSVWAUVZRYULIR-CZUORRHYSA-N 1 0 233.399 4.478 10 0 BIAERO Cc1cccc(C[NH2+]CCC2CCCCC2)c1 ZINC000103988657 179090160 /nfs/dbraw/zinc/09/01/60/179090160.db2.gz HRSLICQCCDBHEM-UHFFFAOYSA-N 1 0 231.383 4.055 10 0 BIAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCC1CCCCC1 ZINC000103988669 177114133 /nfs/dbraw/zinc/11/41/33/177114133.db2.gz JSGSPIVFHIUBPG-MZBDJJRSSA-N 1 0 237.431 4.371 10 0 BIAERO C[C@H]1CCC[C@H](C)C1[NH2+]CCC1CCCCC1 ZINC000103988673 177130123 /nfs/dbraw/zinc/13/01/23/177130123.db2.gz JSGSPIVFHIUBPG-KBPBESRZSA-N 1 0 237.431 4.371 10 0 BIAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC1CCCCC1 ZINC000103988676 176113600 /nfs/dbraw/zinc/11/36/00/176113600.db2.gz JSGSPIVFHIUBPG-ZIAGYGMSSA-N 1 0 237.431 4.371 10 0 BIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCC[C@@H]2C)cc1C ZINC000103989243 177872300 /nfs/dbraw/zinc/87/23/00/177872300.db2.gz JODNYTBZJZLZHY-CXMBCZLWSA-N 1 0 245.410 4.451 10 0 BIAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)cc1C ZINC000103989246 177874266 /nfs/dbraw/zinc/87/42/66/177874266.db2.gz JODNYTBZJZLZHY-KCTSRDHCSA-N 1 0 245.410 4.451 10 0 BIAERO CCc1ccc([C@@H](CC)[NH2+][C@@H]2CC2(C)C)cc1 ZINC000103990785 188323793 /nfs/dbraw/zinc/32/37/93/188323793.db2.gz WDOHDPAJTYWYSL-HUUCEWRRSA-N 1 0 231.383 4.088 10 0 BIAERO CCc1ccc([C@H](CC)[NH2+][C@H]2CC2(C)C)cc1 ZINC000103990795 171841377 /nfs/dbraw/zinc/84/13/77/171841377.db2.gz WDOHDPAJTYWYSL-GJZGRUSLSA-N 1 0 231.383 4.088 10 0 BIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c(C)c1 ZINC000103990967 177870827 /nfs/dbraw/zinc/87/08/27/177870827.db2.gz YLVUWHMHEDUOIF-APHBMKBZSA-N 1 0 245.410 4.451 10 0 BIAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c(C)c1 ZINC000103990978 177874508 /nfs/dbraw/zinc/87/45/08/177874508.db2.gz YLVUWHMHEDUOIF-RCBQFDQVSA-N 1 0 245.410 4.451 10 0 BIAERO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)cc1C ZINC000103992229 178611517 /nfs/dbraw/zinc/61/15/17/178611517.db2.gz CKEMLYWBEXGWQA-WMLDXEAASA-N 1 0 245.410 4.219 10 0 BIAERO CCCC[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(F)cc1 ZINC000103992295 169013013 /nfs/dbraw/zinc/01/30/13/169013013.db2.gz ZZTIKNSXSHXNGP-LSDHHAIUSA-N 1 0 249.373 4.445 10 0 BIAERO CCCC[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(F)cc1 ZINC000103992303 169012641 /nfs/dbraw/zinc/01/26/41/169012641.db2.gz ZZTIKNSXSHXNGP-GJZGRUSLSA-N 1 0 249.373 4.445 10 0 BIAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H]2CC2(C)C)cc1 ZINC000103992320 187631695 /nfs/dbraw/zinc/63/16/95/187631695.db2.gz KNWZLSWPSLBMGD-CZUORRHYSA-N 1 0 245.410 4.334 10 0 BIAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H]2CC2(C)C)cc1 ZINC000103992323 187291200 /nfs/dbraw/zinc/29/12/00/187291200.db2.gz KNWZLSWPSLBMGD-XJKSGUPXSA-N 1 0 245.410 4.334 10 0 BIAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)cc1 ZINC000103992327 187460159 /nfs/dbraw/zinc/46/01/59/187460159.db2.gz KNWZLSWPSLBMGD-CJNGLKHVSA-N 1 0 245.410 4.334 10 0 BIAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000103992559 176131730 /nfs/dbraw/zinc/13/17/30/176131730.db2.gz QYGAYTXRWQWVAP-XOKHGSTOSA-N 1 0 243.394 4.232 10 0 BIAERO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000103992566 177126838 /nfs/dbraw/zinc/12/68/38/177126838.db2.gz QYGAYTXRWQWVAP-RRQGHBQHSA-N 1 0 243.394 4.232 10 0 BIAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000103992570 176150303 /nfs/dbraw/zinc/15/03/03/176150303.db2.gz QYGAYTXRWQWVAP-KBRIMQKVSA-N 1 0 243.394 4.232 10 0 BIAERO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000103992575 177142883 /nfs/dbraw/zinc/14/28/83/177142883.db2.gz QYGAYTXRWQWVAP-IAOVAPTHSA-N 1 0 243.394 4.232 10 0 BIAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1C ZINC000103992593 167482652 /nfs/dbraw/zinc/48/26/52/167482652.db2.gz QZGZUXQUWZANGB-YIDVYQOGSA-N 1 0 237.431 4.225 10 0 BIAERO CCCNc1cc(CCC)[nH+]c2ccccc12 ZINC000103993750 169293665 /nfs/dbraw/zinc/29/36/65/169293665.db2.gz JNOUANNVKPKRQX-UHFFFAOYSA-N 1 0 228.339 4.009 10 0 BIAERO CC(C)(C)c1ccc(C[NH2+]C2(C)CCCC2)cc1 ZINC000103994036 168062924 /nfs/dbraw/zinc/06/29/24/168062924.db2.gz STJPUNPGHOUDFT-UHFFFAOYSA-N 1 0 245.410 4.406 10 0 BIAERO CCC1CCC([NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000103994055 168519915 /nfs/dbraw/zinc/51/99/15/168519915.db2.gz QVTXKWBHQJHUOI-HESLUPGFSA-N 1 0 237.431 4.370 10 0 BIAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C1CCCCC1 ZINC000103994114 176867923 /nfs/dbraw/zinc/86/79/23/176867923.db2.gz PKODCTKCYFZVSW-IJEWVQPXSA-N 1 0 237.431 4.371 10 0 BIAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)cc1 ZINC000103994252 167613134 /nfs/dbraw/zinc/61/31/34/167613134.db2.gz SRCYUZORNOMJGH-DOMZBBRYSA-N 1 0 231.383 4.259 10 0 BIAERO CC[C@@H]([NH2+]Cc1ccc(F)cc1)C1CCCCC1 ZINC000103994344 170902355 /nfs/dbraw/zinc/90/23/55/170902355.db2.gz BCBUQXVZBOFTQT-MRXNPFEDSA-N 1 0 249.373 4.274 10 0 BIAERO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000103994483 176132283 /nfs/dbraw/zinc/13/22/83/176132283.db2.gz CEFLOGUSNGBOME-CJNGLKHVSA-N 1 0 245.410 4.262 10 0 BIAERO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000103994488 177126619 /nfs/dbraw/zinc/12/66/19/177126619.db2.gz CEFLOGUSNGBOME-BBRMVZONSA-N 1 0 245.410 4.262 10 0 BIAERO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000103994494 176150702 /nfs/dbraw/zinc/15/07/02/176150702.db2.gz CEFLOGUSNGBOME-CZUORRHYSA-N 1 0 245.410 4.262 10 0 BIAERO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000103994496 177142051 /nfs/dbraw/zinc/14/20/51/177142051.db2.gz CEFLOGUSNGBOME-XJKSGUPXSA-N 1 0 245.410 4.262 10 0 BIAERO C[NH2+][C@H](c1cc(C)cc(C)c1)C1=CCCCCC1 ZINC000103995174 173422086 /nfs/dbraw/zinc/42/20/86/173422086.db2.gz GLOGFGLNMCQKAT-KRWDZBQOSA-N 1 0 243.394 4.454 10 0 BIAERO CCNc1c2cc(CC)ccc2[nH+]c(C)c1CC ZINC000103995652 170170198 /nfs/dbraw/zinc/17/01/98/170170198.db2.gz XICNGBGFGNWBLD-UHFFFAOYSA-N 1 0 242.366 4.100 10 0 BIAERO CCNc1cc(C(C)C)[nH+]c2c(C)c(C)ccc12 ZINC000103995707 170171225 /nfs/dbraw/zinc/17/12/25/170171225.db2.gz MOLILFCMVMVTJG-UHFFFAOYSA-N 1 0 242.366 4.407 10 0 BIAERO CCC[C@@H](C[NH2+]C(C)C)Cc1cc(C)cc(C)c1 ZINC000103996190 169384524 /nfs/dbraw/zinc/38/45/24/169384524.db2.gz FCPIASCOAAHZCS-MRXNPFEDSA-N 1 0 247.426 4.260 10 0 BIAERO C[NH2+]CC1(Cc2ccc(C)c(C)c2)CCCCC1 ZINC000103996387 173338193 /nfs/dbraw/zinc/33/81/93/173338193.db2.gz HXADUQGVUUXENM-UHFFFAOYSA-N 1 0 245.410 4.016 10 0 BIAERO CCC[NH2+]CC1(Cc2ccc(C)cc2)CCCC1 ZINC000103996401 169257427 /nfs/dbraw/zinc/25/74/27/169257427.db2.gz ALNBHTDNESTGAR-UHFFFAOYSA-N 1 0 245.410 4.098 10 0 BIAERO CC[NH2+]C[C@](CC)(C[C@H](C)CC)c1ccccc1 ZINC000103996498 170123824 /nfs/dbraw/zinc/12/38/24/170123824.db2.gz CYKBUKLTFVNWIG-WBVHZDCISA-N 1 0 247.426 4.380 10 0 BIAERO CC[NH2+]C[C@](CC)(C[C@@H](C)CC)c1ccccc1 ZINC000103996502 170123351 /nfs/dbraw/zinc/12/33/51/170123351.db2.gz CYKBUKLTFVNWIG-RDJZCZTQSA-N 1 0 247.426 4.380 10 0 BIAERO CC[NH2+]C[C@@](CC)(C[C@H](C)CC)c1ccccc1 ZINC000103996506 170120793 /nfs/dbraw/zinc/12/07/93/170120793.db2.gz CYKBUKLTFVNWIG-NVXWUHKLSA-N 1 0 247.426 4.380 10 0 BIAERO CC[NH2+]C[C@@](CC)(C[C@@H](C)CC)c1ccccc1 ZINC000103996511 170121195 /nfs/dbraw/zinc/12/11/95/170121195.db2.gz CYKBUKLTFVNWIG-DOTOQJQBSA-N 1 0 247.426 4.380 10 0 BIAERO CCNc1cc(C(C)C)[nH+]c2ccc(CC)cc12 ZINC000103997257 170171581 /nfs/dbraw/zinc/17/15/81/170171581.db2.gz SDYKTMDVQOROCM-UHFFFAOYSA-N 1 0 242.366 4.352 10 0 BIAERO CCCNc1c(C)c(C)[nH+]c2c(C)c(C)ccc12 ZINC000103997295 169293424 /nfs/dbraw/zinc/29/34/24/169293424.db2.gz YHCULHXNFIWYQM-UHFFFAOYSA-N 1 0 242.366 4.290 10 0 BIAERO Cc1ccc(C[C@H](C[NH2+]C(C)(C)C)C(C)C)cc1 ZINC000103997752 178651414 /nfs/dbraw/zinc/65/14/14/178651414.db2.gz YTNVJAKNFDFCIS-MRXNPFEDSA-N 1 0 247.426 4.198 10 0 BIAERO CCC[NH2+]C[C@](CC)(CCC)c1ccccc1 ZINC000103998011 169264455 /nfs/dbraw/zinc/26/44/55/169264455.db2.gz RNODGMFFZBLZHM-INIZCTEOSA-N 1 0 233.399 4.134 10 0 BIAERO CCC[NH2+]C[C@@](CC)(CCC)c1ccccc1 ZINC000103998017 169263653 /nfs/dbraw/zinc/26/36/53/169263653.db2.gz RNODGMFFZBLZHM-MRXNPFEDSA-N 1 0 233.399 4.134 10 0 BIAERO CCCCCC[C@@H](C)OCC[NH2+][C@@H](C)CCC ZINC000103998427 168673952 /nfs/dbraw/zinc/67/39/52/168673952.db2.gz AEJWFFMKBIGCAN-LSDHHAIUSA-N 1 0 243.435 4.140 10 0 BIAERO CCC[NH2+]CC1(c2ccc(C)cc2)CCCCC1 ZINC000104000056 169257697 /nfs/dbraw/zinc/25/76/97/169257697.db2.gz IHABMRIMHONCSV-UHFFFAOYSA-N 1 0 245.410 4.197 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(CC)cc1 ZINC000104000068 169282349 /nfs/dbraw/zinc/28/23/49/169282349.db2.gz NLZMPLPDPDMIMU-IAGOWNOFSA-N 1 0 245.410 4.275 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(CC)cc1 ZINC000104000072 169291074 /nfs/dbraw/zinc/29/10/74/169291074.db2.gz NLZMPLPDPDMIMU-SJORKVTESA-N 1 0 245.410 4.275 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(CC)cc1 ZINC000104000075 169282429 /nfs/dbraw/zinc/28/24/29/169282429.db2.gz NLZMPLPDPDMIMU-DLBZAZTESA-N 1 0 245.410 4.275 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@H]1c1ccc(CC)cc1 ZINC000104000081 169290888 /nfs/dbraw/zinc/29/08/88/169290888.db2.gz NLZMPLPDPDMIMU-IRXDYDNUSA-N 1 0 245.410 4.275 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1cc(C)cc(C)c1 ZINC000104000087 169282317 /nfs/dbraw/zinc/28/23/17/169282317.db2.gz ZILQHFYHYFMJBJ-IAGOWNOFSA-N 1 0 245.410 4.329 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1cc(C)cc(C)c1 ZINC000104000091 169290824 /nfs/dbraw/zinc/29/08/24/169290824.db2.gz ZILQHFYHYFMJBJ-SJORKVTESA-N 1 0 245.410 4.329 10 0 BIAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1cc(C)cc(C)c1 ZINC000104000094 169282486 /nfs/dbraw/zinc/28/24/86/169282486.db2.gz ZILQHFYHYFMJBJ-DLBZAZTESA-N 1 0 245.410 4.329 10 0 BIAERO CCC[NH2+][C@H]1CCCC[C@H]1c1cc(C)cc(C)c1 ZINC000104000098 169290719 /nfs/dbraw/zinc/29/07/19/169290719.db2.gz ZILQHFYHYFMJBJ-IRXDYDNUSA-N 1 0 245.410 4.329 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(C)c(C)c1 ZINC000104000175 170151076 /nfs/dbraw/zinc/15/10/76/170151076.db2.gz NXNLVYPPFWJWFL-IAGOWNOFSA-N 1 0 245.410 4.329 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(C)c(C)c1 ZINC000104000182 170165636 /nfs/dbraw/zinc/16/56/36/170165636.db2.gz NXNLVYPPFWJWFL-SJORKVTESA-N 1 0 245.410 4.329 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(C)c(C)c1 ZINC000104000189 170150662 /nfs/dbraw/zinc/15/06/62/170150662.db2.gz NXNLVYPPFWJWFL-DLBZAZTESA-N 1 0 245.410 4.329 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@H]1c1ccc(C)c(C)c1 ZINC000104000195 170165686 /nfs/dbraw/zinc/16/56/86/170165686.db2.gz NXNLVYPPFWJWFL-IRXDYDNUSA-N 1 0 245.410 4.329 10 0 BIAERO CCNc1cc(C(C)C)[nH+]c2c(C)c(F)ccc12 ZINC000104000295 170171532 /nfs/dbraw/zinc/17/15/32/170171532.db2.gz BORPDVRDGCIZTM-UHFFFAOYSA-N 1 0 246.329 4.238 10 0 BIAERO CCC[NH2+]C[C@@H](Cc1cccc(C)c1)CC(C)C ZINC000104000746 169262843 /nfs/dbraw/zinc/26/28/43/169262843.db2.gz XROMEPJYAZVTIQ-QGZVFWFLSA-N 1 0 247.426 4.199 10 0 BIAERO CCC[NH2+]C[C@H](Cc1cccc(C)c1)CC(C)C ZINC000104000747 169263938 /nfs/dbraw/zinc/26/39/38/169263938.db2.gz XROMEPJYAZVTIQ-KRWDZBQOSA-N 1 0 247.426 4.199 10 0 BIAERO CC[NH2+]CC1(Cc2ccc(C)cc2)CCCCC1 ZINC000104000901 170111075 /nfs/dbraw/zinc/11/10/75/170111075.db2.gz POXVDKNSPPYARE-UHFFFAOYSA-N 1 0 245.410 4.098 10 0 BIAERO CCCC[C@](CC)(C[NH2+]C)Cc1cccc(C)c1 ZINC000104000953 169015234 /nfs/dbraw/zinc/01/52/34/169015234.db2.gz VHAWZXGTAGYXKY-KRWDZBQOSA-N 1 0 247.426 4.344 10 0 BIAERO CCCC[C@@](CC)(C[NH2+]C)Cc1cccc(C)c1 ZINC000104000955 168977118 /nfs/dbraw/zinc/97/71/18/168977118.db2.gz VHAWZXGTAGYXKY-QGZVFWFLSA-N 1 0 247.426 4.344 10 0 BIAERO CCC[NH2+]CC(CC)(CC)Cc1ccc(C)cc1 ZINC000104000982 169256361 /nfs/dbraw/zinc/25/63/61/169256361.db2.gz PCUYVLJAAAQRKN-UHFFFAOYSA-N 1 0 247.426 4.344 10 0 BIAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000104001513 169281644 /nfs/dbraw/zinc/28/16/44/169281644.db2.gz NNLYZCWYRWUDJF-IAGOWNOFSA-N 1 0 245.410 4.411 10 0 BIAERO CCC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000104001521 169290711 /nfs/dbraw/zinc/29/07/11/169290711.db2.gz NNLYZCWYRWUDJF-SJORKVTESA-N 1 0 245.410 4.411 10 0 BIAERO CCC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(C)cc1 ZINC000104001525 169282326 /nfs/dbraw/zinc/28/23/26/169282326.db2.gz NNLYZCWYRWUDJF-DLBZAZTESA-N 1 0 245.410 4.411 10 0 BIAERO CCC[NH2+][C@H]1CCCCC[C@H]1c1ccc(C)cc1 ZINC000104001531 169290790 /nfs/dbraw/zinc/29/07/90/169290790.db2.gz NNLYZCWYRWUDJF-IRXDYDNUSA-N 1 0 245.410 4.411 10 0 BIAERO Cc1cccc(C[C@@H](C[NH2+]CC(C)C)C(C)C)c1 ZINC000104002200 188323364 /nfs/dbraw/zinc/32/33/64/188323364.db2.gz ZIHSPNNZKQBQHW-KRWDZBQOSA-N 1 0 247.426 4.055 10 0 BIAERO Cc1cccc(C[C@H](C[NH2+]CC(C)C)C(C)C)c1 ZINC000104002203 179106316 /nfs/dbraw/zinc/10/63/16/179106316.db2.gz ZIHSPNNZKQBQHW-QGZVFWFLSA-N 1 0 247.426 4.055 10 0 BIAERO CCC[NH2+]CC(CC)(CC)Cc1ccccc1C ZINC000104002411 169256760 /nfs/dbraw/zinc/25/67/60/169256760.db2.gz WPERQEUYYMQUAN-UHFFFAOYSA-N 1 0 247.426 4.344 10 0 BIAERO CCCCC[C@]1(C[NH2+]C)CCCc2ccccc21 ZINC000104002470 168746422 /nfs/dbraw/zinc/74/64/22/168746422.db2.gz SSTIUOAQEJYJKO-QGZVFWFLSA-N 1 0 245.410 4.060 10 0 BIAERO CCC[NH2+]C[C@@]1(CCC)CCCc2ccccc21 ZINC000104002478 169263195 /nfs/dbraw/zinc/26/31/95/169263195.db2.gz QLGLBLPNDGAIGG-QGZVFWFLSA-N 1 0 245.410 4.060 10 0 BIAERO CCC[NH2+]C[C@]1(CCC)CCCc2ccccc21 ZINC000104002482 169264929 /nfs/dbraw/zinc/26/49/29/169264929.db2.gz QLGLBLPNDGAIGG-KRWDZBQOSA-N 1 0 245.410 4.060 10 0 BIAERO CCC[C@]1(C[NH2+]C(C)C)CCCc2ccccc21 ZINC000104002486 169556886 /nfs/dbraw/zinc/55/68/86/169556886.db2.gz INDBNOSOINTPMI-QGZVFWFLSA-N 1 0 245.410 4.059 10 0 BIAERO CC[NH2+][C@H](C1=CCCC1)c1c(C)cc(C)cc1C ZINC000104002611 170160660 /nfs/dbraw/zinc/16/06/60/170160660.db2.gz KODFQWJXCLOEGD-QGZVFWFLSA-N 1 0 243.394 4.373 10 0 BIAERO CC[NH2+][C@@H](C1=CCCC1)c1c(C)cc(C)cc1C ZINC000104002614 170143338 /nfs/dbraw/zinc/14/33/38/170143338.db2.gz KODFQWJXCLOEGD-KRWDZBQOSA-N 1 0 243.394 4.373 10 0 BIAERO CCNc1cc(CC)[nH+]c2c1cccc2C(C)C ZINC000104003015 170172270 /nfs/dbraw/zinc/17/22/70/170172270.db2.gz NVBDPXFZDBJGQJ-UHFFFAOYSA-N 1 0 242.366 4.352 10 0 BIAERO CCC[C@@H](C[NH2+]C(C)(C)C)Cc1ccc(C)cc1 ZINC000104003415 169384731 /nfs/dbraw/zinc/38/47/31/169384731.db2.gz CGPWOIDEBQZZNN-MRXNPFEDSA-N 1 0 247.426 4.342 10 0 BIAERO C[NH2+]C[C@H](CCC(C)(C)C)Cc1ccccc1C ZINC000104003466 173376129 /nfs/dbraw/zinc/37/61/29/173376129.db2.gz UMFIIXNRFXQZDE-OAHLLOKOSA-N 1 0 247.426 4.199 10 0 BIAERO C[NH2+]C[C@@H](CCC(C)(C)C)Cc1ccccc1C ZINC000104003470 173364503 /nfs/dbraw/zinc/36/45/03/173364503.db2.gz UMFIIXNRFXQZDE-HNNXBMFYSA-N 1 0 247.426 4.199 10 0 BIAERO CC[C@H](C[NH2+]C(C)C)Cc1ccc(C(C)C)cc1 ZINC000104004757 171436493 /nfs/dbraw/zinc/43/64/93/171436493.db2.gz VWTCRHUTIQKWDP-HNNXBMFYSA-N 1 0 247.426 4.377 10 0 BIAERO CCC[NH2+]C[C@@](C)(CC)Cc1ccc(C)c(C)c1 ZINC000104004967 169263078 /nfs/dbraw/zinc/26/30/78/169263078.db2.gz FLSZDKUNLHOZRL-KRWDZBQOSA-N 1 0 247.426 4.262 10 0 BIAERO CCC[NH2+]C[C@](C)(CC)Cc1ccc(C)c(C)c1 ZINC000104004971 169265039 /nfs/dbraw/zinc/26/50/39/169265039.db2.gz FLSZDKUNLHOZRL-QGZVFWFLSA-N 1 0 247.426 4.262 10 0 BIAERO CCNc1c(C)c(C)[nH+]c2c(C)ccc(Cl)c12 ZINC000104005579 170170280 /nfs/dbraw/zinc/17/02/80/170170280.db2.gz ZOJKXYIEXVQJTD-UHFFFAOYSA-N 1 0 248.757 4.245 10 0 BIAERO CCCNc1cc(CC)[nH+]c2c(C)ccc(F)c12 ZINC000104005610 169294022 /nfs/dbraw/zinc/29/40/22/169294022.db2.gz AOUXKXYPYKPCOK-UHFFFAOYSA-N 1 0 246.329 4.067 10 0 BIAERO CCCC[C@](CC)(C[NH3+])Cc1ccccc1C ZINC000104006131 169015479 /nfs/dbraw/zinc/01/54/79/169015479.db2.gz ZYYBQMVVIASTGC-INIZCTEOSA-N 1 0 233.399 4.083 10 0 BIAERO C[NH2+][C@H](C1=CCCCC1)c1c(C)cc(C)cc1C ZINC000104006475 173451084 /nfs/dbraw/zinc/45/10/84/173451084.db2.gz YAMGIARKZPTHQO-QGZVFWFLSA-N 1 0 243.394 4.373 10 0 BIAERO CCC[NH2+][C@H](C1=CCCCCC1)C1CCCC1 ZINC000104006539 169288049 /nfs/dbraw/zinc/28/80/49/169288049.db2.gz VVQMDMDMTVPNGC-MRXNPFEDSA-N 1 0 235.415 4.435 10 0 BIAERO CCC[NH2+][C@@H](C1=CCCCCC1)C1CCCC1 ZINC000104006543 169277224 /nfs/dbraw/zinc/27/72/24/169277224.db2.gz VVQMDMDMTVPNGC-INIZCTEOSA-N 1 0 235.415 4.435 10 0 BIAERO CCC(CC)(C[NH2+]CC(C)C)c1ccccc1C ZINC000104006802 168326078 /nfs/dbraw/zinc/32/60/78/168326078.db2.gz FOVYEBLXKSBGJB-UHFFFAOYSA-N 1 0 247.426 4.298 10 0 BIAERO CC[NH2+]CC(CC)(CC)c1ccc(C(C)C)cc1 ZINC000104006836 170110967 /nfs/dbraw/zinc/11/09/67/170110967.db2.gz JZKUZEXYGLCWLG-UHFFFAOYSA-N 1 0 247.426 4.477 10 0 BIAERO CC(C)C[NH2+]CC(C)(C)c1ccc(C(C)C)cc1 ZINC000104006854 167003027 /nfs/dbraw/zinc/00/30/27/167003027.db2.gz CMIQLBZJBDDZIP-UHFFFAOYSA-N 1 0 247.426 4.333 10 0 BIAERO CCCCc1ccc2[nH+]c(C)c(CC)c(N)c2c1 ZINC000104006930 169024644 /nfs/dbraw/zinc/02/46/44/169024644.db2.gz TXXDKRYJTICPFU-UHFFFAOYSA-N 1 0 242.366 4.030 10 0 BIAERO CCCNc1c(C)c(C)[nH+]c2c(C)ccc(F)c12 ZINC000104006938 169293853 /nfs/dbraw/zinc/29/38/53/169293853.db2.gz LLVORUKPINRDIW-UHFFFAOYSA-N 1 0 246.329 4.121 10 0 BIAERO CC[C@H](C[NH2+]CC(C)C)Cc1cc(C)cc(C)c1 ZINC000104007389 171437279 /nfs/dbraw/zinc/43/72/79/171437279.db2.gz DODCLQSDINPSHL-INIZCTEOSA-N 1 0 247.426 4.118 10 0 BIAERO CCC[NH2+][C@H](C1=CCCC1)c1ccc(C)cc1C ZINC000104007815 169287922 /nfs/dbraw/zinc/28/79/22/169287922.db2.gz GJGOPBDEVNXHQE-QGZVFWFLSA-N 1 0 243.394 4.454 10 0 BIAERO CCC[NH2+][C@@H](C1=CCCC1)c1ccc(C)cc1C ZINC000104007818 169277500 /nfs/dbraw/zinc/27/75/00/169277500.db2.gz GJGOPBDEVNXHQE-KRWDZBQOSA-N 1 0 243.394 4.454 10 0 BIAERO CCCC(C[NH3+])(CCC)c1ccc(C)c(C)c1 ZINC000104008196 168584258 /nfs/dbraw/zinc/58/42/58/168584258.db2.gz PREOJJNIRPNCCH-UHFFFAOYSA-N 1 0 233.399 4.100 10 0 BIAERO CCC[NH2+]CC(CC)(CC)c1ccc(C)c(C)c1 ZINC000104008206 169256504 /nfs/dbraw/zinc/25/65/04/169256504.db2.gz LPWUMZJGQFTLGV-UHFFFAOYSA-N 1 0 247.426 4.361 10 0 BIAERO CCC[C@@H](C[NH2+]CC(C)C)Cc1cccc(C)c1 ZINC000104008840 169384640 /nfs/dbraw/zinc/38/46/40/169384640.db2.gz UMLGJBWDZARFKW-QGZVFWFLSA-N 1 0 247.426 4.199 10 0 BIAERO CCC[C@@H](C)C[C@]1(C[NH3+])CCCc2ccccc21 ZINC000104008951 169362115 /nfs/dbraw/zinc/36/21/15/169362115.db2.gz INBOCAXKHKLJAW-PBHICJAKSA-N 1 0 245.410 4.046 10 0 BIAERO CCC[C@@H](C)C[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000104008958 169361266 /nfs/dbraw/zinc/36/12/66/169361266.db2.gz INBOCAXKHKLJAW-RHSMWYFYSA-N 1 0 245.410 4.046 10 0 BIAERO CCC[NH2+][C@@H](CCC1CCCC1)C1=CCCC1 ZINC000104009430 169277779 /nfs/dbraw/zinc/27/77/79/169277779.db2.gz HWXZGFKLNYJZPF-INIZCTEOSA-N 1 0 235.415 4.435 10 0 BIAERO CCC[NH2+][C@H](CCC1CCCC1)C1=CCCC1 ZINC000104009433 169289246 /nfs/dbraw/zinc/28/92/46/169289246.db2.gz HWXZGFKLNYJZPF-MRXNPFEDSA-N 1 0 235.415 4.435 10 0 BIAERO CCC[C@@H](C)C[C@H](C[NH2+]CC)Cc1ccccc1 ZINC000104010414 169361322 /nfs/dbraw/zinc/36/13/22/169361322.db2.gz SWPTUNIAMORHNF-WBVHZDCISA-N 1 0 247.426 4.281 10 0 BIAERO CCC[C@H](C)C[C@H](C[NH2+]CC)Cc1ccccc1 ZINC000104010420 169484923 /nfs/dbraw/zinc/48/49/23/169484923.db2.gz SWPTUNIAMORHNF-RDJZCZTQSA-N 1 0 247.426 4.281 10 0 BIAERO CCC[C@@H](C)C[C@@H](C[NH2+]CC)Cc1ccccc1 ZINC000104010425 169361444 /nfs/dbraw/zinc/36/14/44/169361444.db2.gz SWPTUNIAMORHNF-NVXWUHKLSA-N 1 0 247.426 4.281 10 0 BIAERO CCC[C@](C)(C[NH2+]CC)Cc1cc(C)cc(C)c1 ZINC000104010664 169544676 /nfs/dbraw/zinc/54/46/76/169544676.db2.gz UOIBURWJDBOVKJ-KRWDZBQOSA-N 1 0 247.426 4.262 10 0 BIAERO CCC[NH2+][C@@H](c1ccc(CC)o1)C1CCCCC1 ZINC000104011117 169280240 /nfs/dbraw/zinc/28/02/40/169280240.db2.gz FLELSISWXICDJF-MRXNPFEDSA-N 1 0 249.398 4.463 10 0 BIAERO CCC[NH2+][C@H](c1ccc(CC)o1)C1CCCCC1 ZINC000104011122 169289662 /nfs/dbraw/zinc/28/96/62/169289662.db2.gz FLELSISWXICDJF-INIZCTEOSA-N 1 0 249.398 4.463 10 0 BIAERO CCCC[C@H](C[NH2+]CCC)Cc1ccccc1 ZINC000104012168 169003944 /nfs/dbraw/zinc/00/39/44/169003944.db2.gz JQNQNDZQKNOJKR-INIZCTEOSA-N 1 0 233.399 4.035 10 0 BIAERO CC[C@H](C)C[C@H](C[NH2+]C(C)C)Cc1ccccc1 ZINC000104012185 171299093 /nfs/dbraw/zinc/29/90/93/171299093.db2.gz DLKVDWIZCGFUQJ-RDJZCZTQSA-N 1 0 247.426 4.280 10 0 BIAERO CC[C@H](C)C[C@@H](C[NH2+]C(C)C)Cc1ccccc1 ZINC000104012193 171296794 /nfs/dbraw/zinc/29/67/94/171296794.db2.gz DLKVDWIZCGFUQJ-DOTOQJQBSA-N 1 0 247.426 4.280 10 0 BIAERO CCC[NH2+]C[C@@H](Cc1ccc(CC)cc1)C(C)C ZINC000104012244 169262505 /nfs/dbraw/zinc/26/25/05/169262505.db2.gz ABDZHSLRDFQCEC-QGZVFWFLSA-N 1 0 247.426 4.063 10 0 BIAERO CCC[NH2+]C[C@H](Cc1ccc(CC)cc1)C(C)C ZINC000104012251 169264004 /nfs/dbraw/zinc/26/40/04/169264004.db2.gz ABDZHSLRDFQCEC-KRWDZBQOSA-N 1 0 247.426 4.063 10 0 BIAERO C[NH2+]C[C@H](CCC(C)(C)C)Cc1ccc(C)cc1 ZINC000104012279 173376340 /nfs/dbraw/zinc/37/63/40/173376340.db2.gz RPLFCIHAGBWMPA-MRXNPFEDSA-N 1 0 247.426 4.199 10 0 BIAERO C[NH2+]C[C@@H](CCC(C)(C)C)Cc1ccc(C)cc1 ZINC000104012284 173364555 /nfs/dbraw/zinc/36/45/55/173364555.db2.gz RPLFCIHAGBWMPA-INIZCTEOSA-N 1 0 247.426 4.199 10 0 BIAERO CC[NH2+]C[C@H](Cc1ccc(C)cc1)C[C@H](C)CC ZINC000104012292 170122209 /nfs/dbraw/zinc/12/22/09/170122209.db2.gz IZKZEHWDZUKUDJ-PBHICJAKSA-N 1 0 247.426 4.199 10 0 BIAERO CC[NH2+]C[C@H](Cc1ccc(C)cc1)C[C@@H](C)CC ZINC000104012297 170121779 /nfs/dbraw/zinc/12/17/79/170121779.db2.gz IZKZEHWDZUKUDJ-YOEHRIQHSA-N 1 0 247.426 4.199 10 0 BIAERO CC[NH2+]C[C@@H](Cc1ccc(C)cc1)C[C@H](C)CC ZINC000104012304 170119554 /nfs/dbraw/zinc/11/95/54/170119554.db2.gz IZKZEHWDZUKUDJ-RHSMWYFYSA-N 1 0 247.426 4.199 10 0 BIAERO CC[NH2+]C[C@@H](Cc1ccc(C)cc1)C[C@@H](C)CC ZINC000104012309 170118761 /nfs/dbraw/zinc/11/87/61/170118761.db2.gz IZKZEHWDZUKUDJ-WMLDXEAASA-N 1 0 247.426 4.199 10 0 BIAERO CCC[NH2+][C@@H](CC1CC1)c1c(C)cc(C)cc1C ZINC000104012638 169277984 /nfs/dbraw/zinc/27/79/84/169277984.db2.gz GOFOUNBSJCRDKM-INIZCTEOSA-N 1 0 245.410 4.453 10 0 BIAERO CCC[NH2+][C@H](CC1CC1)c1c(C)cc(C)cc1C ZINC000104012645 169288936 /nfs/dbraw/zinc/28/89/36/169288936.db2.gz GOFOUNBSJCRDKM-MRXNPFEDSA-N 1 0 245.410 4.453 10 0 BIAERO CC[NH2+][C@@H](c1cccc(C)c1C)C1=CCCCC1 ZINC000104012847 170161123 /nfs/dbraw/zinc/16/11/23/170161123.db2.gz CQCNTYMCPVEFFP-QGZVFWFLSA-N 1 0 243.394 4.454 10 0 BIAERO CC[NH2+][C@H](c1cccc(C)c1C)C1=CCCCC1 ZINC000104012853 170142783 /nfs/dbraw/zinc/14/27/83/170142783.db2.gz CQCNTYMCPVEFFP-KRWDZBQOSA-N 1 0 243.394 4.454 10 0 BIAERO CC[NH2+][C@@H](CCC1CCCC1)C1=CCCCC1 ZINC000104012862 170144765 /nfs/dbraw/zinc/14/47/65/170144765.db2.gz PKZBIHRNTPNPDD-INIZCTEOSA-N 1 0 235.415 4.435 10 0 BIAERO CC[NH2+][C@H](CCC1CCCC1)C1=CCCCC1 ZINC000104012867 170161457 /nfs/dbraw/zinc/16/14/57/170161457.db2.gz PKZBIHRNTPNPDD-MRXNPFEDSA-N 1 0 235.415 4.435 10 0 BIAERO CCNc1cc(C(C)C)[nH+]c2c(C)cc(C)cc12 ZINC000104013506 170171352 /nfs/dbraw/zinc/17/13/52/170171352.db2.gz PXFFIQUTASXQOX-UHFFFAOYSA-N 1 0 242.366 4.407 10 0 BIAERO CCCNc1cc(CC)[nH+]c2c(C)ccc(C)c12 ZINC000104013565 169293973 /nfs/dbraw/zinc/29/39/73/169293973.db2.gz FCKFVFHGUQEGFH-UHFFFAOYSA-N 1 0 242.366 4.236 10 0 BIAERO CCNc1cc(C(C)(C)C)[nH+]c2c(C)cccc12 ZINC000104013585 170171608 /nfs/dbraw/zinc/17/16/08/170171608.db2.gz QTSIHPMQRBJDEB-UHFFFAOYSA-N 1 0 242.366 4.273 10 0 BIAERO CCCC[C@H](C[NH2+]C(C)C)Cc1ccc(C)cc1 ZINC000104014205 169003159 /nfs/dbraw/zinc/00/31/59/169003159.db2.gz QVMAXZHJJABDLU-KRWDZBQOSA-N 1 0 247.426 4.342 10 0 BIAERO Cc1ccc([C@H]([NH3+])C2CCCCCC2)c(C)c1 ZINC000104014309 178906696 /nfs/dbraw/zinc/90/66/96/178906696.db2.gz PLXSTTUHYUSUAE-MRXNPFEDSA-N 1 0 231.383 4.274 10 0 BIAERO C[NH2+][C@@H](C1=CCCCCC1)C1CCCCCC1 ZINC000104014701 173421534 /nfs/dbraw/zinc/42/15/34/173421534.db2.gz YMJJXBZDPRENIC-INIZCTEOSA-N 1 0 235.415 4.435 10 0 BIAERO CCCNc1c(C)c(C)[nH+]c2c(C)cc(C)cc12 ZINC000104015192 169293839 /nfs/dbraw/zinc/29/38/39/169293839.db2.gz DZXZMUPRNXRNRJ-UHFFFAOYSA-N 1 0 242.366 4.290 10 0 BIAERO CCCNc1cc(CC)[nH+]c2c(C)cc(F)cc12 ZINC000104015217 169293984 /nfs/dbraw/zinc/29/39/84/169293984.db2.gz JUJPTMROZMTMOE-UHFFFAOYSA-N 1 0 246.329 4.067 10 0 BIAERO CCCNc1c(C)c(C)[nH+]c2c(C)cc(F)cc12 ZINC000104015225 169293418 /nfs/dbraw/zinc/29/34/18/169293418.db2.gz NRQZCYQYYRHUAS-UHFFFAOYSA-N 1 0 246.329 4.121 10 0 BIAERO CC[NH2+]CC1(Cc2cc(C)cc(C)c2)CCCC1 ZINC000104016040 170110958 /nfs/dbraw/zinc/11/09/58/170110958.db2.gz JZQFCHWZRADLFV-UHFFFAOYSA-N 1 0 245.410 4.016 10 0 BIAERO CCCc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC)cc1 ZINC000104017064 169574864 /nfs/dbraw/zinc/57/48/64/169574864.db2.gz QUWRCNKDOILSKR-DLBZAZTESA-N 1 0 245.410 4.275 10 0 BIAERO CCNc1cc(C(C)(C)C)[nH+]c2ccc(C)cc12 ZINC000104017089 170171504 /nfs/dbraw/zinc/17/15/04/170171504.db2.gz FJBPTMNWTWTXIE-UHFFFAOYSA-N 1 0 242.366 4.273 10 0 BIAERO CC1CCC(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000104017617 168155413 /nfs/dbraw/zinc/15/54/13/168155413.db2.gz GQJAQJVCMONNFH-VMPITWQZSA-N 1 0 243.394 4.116 10 0 BIAERO CC[NH2+]C[C@@H](Cc1cc(C)ccc1C)CC(C)C ZINC000104017767 170118752 /nfs/dbraw/zinc/11/87/52/170118752.db2.gz JQYJFPQKSBTEBJ-MRXNPFEDSA-N 1 0 247.426 4.118 10 0 BIAERO CC[NH2+]C[C@H](Cc1cc(C)ccc1C)CC(C)C ZINC000104017772 170121847 /nfs/dbraw/zinc/12/18/47/170121847.db2.gz JQYJFPQKSBTEBJ-INIZCTEOSA-N 1 0 247.426 4.118 10 0 BIAERO CCC[NH2+]C[C@@H](CCC)Cc1cc(C)ccc1C ZINC000104017778 169262431 /nfs/dbraw/zinc/26/24/31/169262431.db2.gz ZJDOMHUSAAQTPV-INIZCTEOSA-N 1 0 247.426 4.262 10 0 BIAERO CCC[NH2+]C[C@H](CCC)Cc1cc(C)ccc1C ZINC000104017782 169263655 /nfs/dbraw/zinc/26/36/55/169263655.db2.gz ZJDOMHUSAAQTPV-MRXNPFEDSA-N 1 0 247.426 4.262 10 0 BIAERO CCC(CC)(C[NH2+]C)Cc1c(C)cc(C)cc1C ZINC000104018123 168325132 /nfs/dbraw/zinc/32/51/32/168325132.db2.gz MRVMSEDXYHNDFH-UHFFFAOYSA-N 1 0 247.426 4.180 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1cc(C)ccc1C ZINC000104018871 170150992 /nfs/dbraw/zinc/15/09/92/170150992.db2.gz QOQZCZUGZPHEIV-NVXWUHKLSA-N 1 0 245.410 4.329 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1cc(C)ccc1C ZINC000104018878 170165541 /nfs/dbraw/zinc/16/55/41/170165541.db2.gz QOQZCZUGZPHEIV-WBVHZDCISA-N 1 0 245.410 4.329 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1cc(C)ccc1C ZINC000104018881 170151109 /nfs/dbraw/zinc/15/11/09/170151109.db2.gz QOQZCZUGZPHEIV-DOTOQJQBSA-N 1 0 245.410 4.329 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@H]1c1cc(C)ccc1C ZINC000104018886 170166246 /nfs/dbraw/zinc/16/62/46/170166246.db2.gz QOQZCZUGZPHEIV-RDJZCZTQSA-N 1 0 245.410 4.329 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@H]1c1ccc(CC)cc1 ZINC000104018890 170166131 /nfs/dbraw/zinc/16/61/31/170166131.db2.gz JKNNXZLKMDTHSG-IRXDYDNUSA-N 1 0 245.410 4.275 10 0 BIAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(CC)cc1 ZINC000104018896 170165839 /nfs/dbraw/zinc/16/58/39/170165839.db2.gz JKNNXZLKMDTHSG-SJORKVTESA-N 1 0 245.410 4.275 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(CC)cc1 ZINC000104018901 170150450 /nfs/dbraw/zinc/15/04/50/170150450.db2.gz JKNNXZLKMDTHSG-DLBZAZTESA-N 1 0 245.410 4.275 10 0 BIAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(CC)cc1 ZINC000104018905 170150980 /nfs/dbraw/zinc/15/09/80/170150980.db2.gz JKNNXZLKMDTHSG-IAGOWNOFSA-N 1 0 245.410 4.275 10 0 BIAERO CCNc1c(C)c(C)[nH+]c2c(C)c(Cl)ccc12 ZINC000104019088 170170713 /nfs/dbraw/zinc/17/07/13/170170713.db2.gz WFKIJHBSIOJWTL-UHFFFAOYSA-N 1 0 248.757 4.245 10 0 BIAERO CC[NH2+]C[C@@H](CCCc1ccccc1)CC(C)C ZINC000104019702 170119244 /nfs/dbraw/zinc/11/92/44/170119244.db2.gz NGEUAPFJDHSBIS-KRWDZBQOSA-N 1 0 247.426 4.281 10 0 BIAERO CC[NH2+]C[C@H](CCCc1ccccc1)CC(C)C ZINC000104019707 170122260 /nfs/dbraw/zinc/12/22/60/170122260.db2.gz NGEUAPFJDHSBIS-QGZVFWFLSA-N 1 0 247.426 4.281 10 0 BIAERO CCC[NH2+]C[C@@](C)(CCC)Cc1ccccc1C ZINC000104020103 169263691 /nfs/dbraw/zinc/26/36/91/169263691.db2.gz LOJPJEFGMPTPLH-KRWDZBQOSA-N 1 0 247.426 4.344 10 0 BIAERO CCC[NH2+]C[C@](C)(CCC)Cc1ccccc1C ZINC000104020106 169264903 /nfs/dbraw/zinc/26/49/03/169264903.db2.gz LOJPJEFGMPTPLH-QGZVFWFLSA-N 1 0 247.426 4.344 10 0 BIAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)C(C)(C)CC ZINC000104020137 170163086 /nfs/dbraw/zinc/16/30/86/170163086.db2.gz HSSRDJUSPSQZLB-OAHLLOKOSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)C(C)(C)CC ZINC000104020142 170147881 /nfs/dbraw/zinc/14/78/81/170147881.db2.gz HSSRDJUSPSQZLB-HNNXBMFYSA-N 1 0 233.399 4.390 10 0 BIAERO CC[NH2+]CC(CC)(CC)Cc1ccc(CC)cc1 ZINC000104020157 170110933 /nfs/dbraw/zinc/11/09/33/170110933.db2.gz PKARUKOKLUOKLB-UHFFFAOYSA-N 1 0 247.426 4.207 10 0 BIAERO CC[C@@](CCC(C)(C)C)(C[NH2+]C)c1ccccc1 ZINC000104020181 171192465 /nfs/dbraw/zinc/19/24/65/171192465.db2.gz OFBCALGUQZGJKC-QGZVFWFLSA-N 1 0 247.426 4.380 10 0 BIAERO CC[C@](C)(C[NH2+]CC(C)C)Cc1cccc(C)c1 ZINC000104020215 171692993 /nfs/dbraw/zinc/69/29/93/171692993.db2.gz OGLGQPKLDRVXOT-KRWDZBQOSA-N 1 0 247.426 4.199 10 0 BIAERO CC[C@@](C)(C[NH2+]CC(C)C)Cc1cccc(C)c1 ZINC000104020221 171167477 /nfs/dbraw/zinc/16/74/77/171167477.db2.gz OGLGQPKLDRVXOT-QGZVFWFLSA-N 1 0 247.426 4.199 10 0 BIAERO C[NH2+][C@H](c1cc(C)ccc1C)C1=CCCCCC1 ZINC000104020524 173421622 /nfs/dbraw/zinc/42/16/22/173421622.db2.gz LSLJFTRCAAUARI-KRWDZBQOSA-N 1 0 243.394 4.454 10 0 BIAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000104021885 171831470 /nfs/dbraw/zinc/83/14/70/171831470.db2.gz KHCLBMPCTXXIMK-UONOGXRCSA-N 1 0 245.410 4.478 10 0 BIAERO Cc1cccc(C[NH2+]C2CCC(C(C)C)CC2)c1 ZINC000104029142 179089980 /nfs/dbraw/zinc/08/99/80/179089980.db2.gz CZMLOTDNDRHKTI-UHFFFAOYSA-N 1 0 245.410 4.299 10 0 BIAERO CCc1ccccc1C[NH2+]C1CCCCCCC1 ZINC000104032825 171882232 /nfs/dbraw/zinc/88/22/32/171882232.db2.gz CQGOIWLEZLEDTQ-UHFFFAOYSA-N 1 0 245.410 4.452 10 0 BIAERO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]CC(C)(C)C ZINC000104043890 178293168 /nfs/dbraw/zinc/29/31/68/178293168.db2.gz OCGLGGATUKVVME-ZDUSSCGKSA-N 1 0 249.398 4.237 10 0 BIAERO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]CC(C)(C)C ZINC000104043893 178293306 /nfs/dbraw/zinc/29/33/06/178293306.db2.gz OCGLGGATUKVVME-CYBMUJFWSA-N 1 0 249.398 4.237 10 0 BIAERO CC(C)C1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000104045864 166757169 /nfs/dbraw/zinc/75/71/69/166757169.db2.gz HCTIUNIVFLTEKA-UHFFFAOYSA-N 1 0 249.373 4.130 10 0 BIAERO CCC[NH2+][C@@H](CCc1cc(C)ccc1C)C1CC1 ZINC000104071894 169278872 /nfs/dbraw/zinc/27/88/72/169278872.db2.gz KBOCUQVRKGQUGI-KRWDZBQOSA-N 1 0 245.410 4.014 10 0 BIAERO CCC[NH2+][C@H](CCc1cc(C)ccc1C)C1CC1 ZINC000104071899 169288800 /nfs/dbraw/zinc/28/88/00/169288800.db2.gz KBOCUQVRKGQUGI-QGZVFWFLSA-N 1 0 245.410 4.014 10 0 BIAERO CCC[NH2+]C[C@@H](CCC(C)C)Cc1ccccc1 ZINC000104146778 169262032 /nfs/dbraw/zinc/26/20/32/169262032.db2.gz BNMKXEGKOVPNOE-KRWDZBQOSA-N 1 0 247.426 4.281 10 0 BIAERO CCC[NH2+]C[C@H](CCC(C)C)Cc1ccccc1 ZINC000104146781 169263492 /nfs/dbraw/zinc/26/34/92/169263492.db2.gz BNMKXEGKOVPNOE-QGZVFWFLSA-N 1 0 247.426 4.281 10 0 BIAERO CCCCCC[C@@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000104149205 168675697 /nfs/dbraw/zinc/67/56/97/168675697.db2.gz WTTXTIVORUDGEI-ZBFHGGJFSA-N 1 0 231.383 4.219 10 0 BIAERO CC(C)(C)[NH2+]CCCc1ccc(C(C)(C)C)cc1 ZINC000104152340 166630502 /nfs/dbraw/zinc/63/05/02/166630502.db2.gz NFCAZQMVFDBLBX-UHFFFAOYSA-N 1 0 247.426 4.305 10 0 BIAERO CCC[NH2+][C@@H](CCc1ccccc1)CCC(C)C ZINC000104152808 169279865 /nfs/dbraw/zinc/27/98/65/169279865.db2.gz FUTWAURYKBWNNX-QGZVFWFLSA-N 1 0 247.426 4.424 10 0 BIAERO CCC[NH2+][C@H](CCc1ccccc1)CCC(C)C ZINC000104152811 169289402 /nfs/dbraw/zinc/28/94/02/169289402.db2.gz FUTWAURYKBWNNX-KRWDZBQOSA-N 1 0 247.426 4.424 10 0 BIAERO CC(C)C[C@@H]([NH3+])C1(c2ccccc2)CCCCC1 ZINC000104153960 188323731 /nfs/dbraw/zinc/32/37/31/188323731.db2.gz XCRBWOVNSYSSNM-MRXNPFEDSA-N 1 0 245.410 4.262 10 0 BIAERO CCCNc1cc(C)[nH+]c2ccc(CCC)cc12 ZINC000104154526 169293549 /nfs/dbraw/zinc/29/35/49/169293549.db2.gz CFIGKSCGLHAEAS-UHFFFAOYSA-N 1 0 242.366 4.318 10 0 BIAERO CCCNc1cc(C)[nH+]c2c(C)cc(Cl)cc12 ZINC000104155157 169293466 /nfs/dbraw/zinc/29/34/66/169293466.db2.gz MSYOCINJQLRESV-UHFFFAOYSA-N 1 0 248.757 4.327 10 0 BIAERO CCNc1c(C)c(CC)[nH+]c2c(C)cc(C)cc12 ZINC000104156976 170170082 /nfs/dbraw/zinc/17/00/82/170170082.db2.gz CATDDVOGHADKGF-UHFFFAOYSA-N 1 0 242.366 4.154 10 0 BIAERO CCC[NH2+][C@@H](CC)[C@@H](C)Cc1cc(C)ccc1C ZINC000104157515 169278546 /nfs/dbraw/zinc/27/85/46/169278546.db2.gz QZNVRPBVKVLBDI-RDJZCZTQSA-N 1 0 247.426 4.260 10 0 BIAERO CCC[NH2+][C@H](CC)[C@@H](C)Cc1cc(C)ccc1C ZINC000104157519 169288100 /nfs/dbraw/zinc/28/81/00/169288100.db2.gz QZNVRPBVKVLBDI-DOTOQJQBSA-N 1 0 247.426 4.260 10 0 BIAERO CCC[NH2+][C@@H](CC)[C@H](C)Cc1cc(C)ccc1C ZINC000104157522 169277679 /nfs/dbraw/zinc/27/76/79/169277679.db2.gz QZNVRPBVKVLBDI-WBVHZDCISA-N 1 0 247.426 4.260 10 0 BIAERO CCC[NH2+][C@H](CC)[C@H](C)Cc1cc(C)ccc1C ZINC000104157525 169288550 /nfs/dbraw/zinc/28/85/50/169288550.db2.gz QZNVRPBVKVLBDI-NVXWUHKLSA-N 1 0 247.426 4.260 10 0 BIAERO CCNc1c(C)c(CC)[nH+]c2ccc(CC)cc21 ZINC000104157660 170170523 /nfs/dbraw/zinc/17/05/23/170170523.db2.gz WVJGAYPGWSIYOZ-UHFFFAOYSA-N 1 0 242.366 4.100 10 0 BIAERO CCNc1cc(C)[nH+]c2ccc(C(C)(C)C)cc12 ZINC000104158138 170172452 /nfs/dbraw/zinc/17/24/52/170172452.db2.gz JZRJEEPBCSDNIM-UHFFFAOYSA-N 1 0 242.366 4.273 10 0 BIAERO CC[C@@H]([NH2+]C)[C@H](C)Cc1cccc2ccccc21 ZINC000104159014 170888348 /nfs/dbraw/zinc/88/83/48/170888348.db2.gz RCJAXPDNWAWFJS-CXAGYDPISA-N 1 0 241.378 4.016 10 0 BIAERO CCCCCC[C@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000104159688 168680142 /nfs/dbraw/zinc/68/01/42/168680142.db2.gz NPMGEXUKQLJOLZ-GOEBONIOSA-N 1 0 231.383 4.090 10 0 BIAERO CCCCCC[C@@H]1Cc2ccccc2[C@H]1[NH2+]C ZINC000104159692 168675877 /nfs/dbraw/zinc/67/58/77/168675877.db2.gz NPMGEXUKQLJOLZ-ZBFHGGJFSA-N 1 0 231.383 4.090 10 0 BIAERO CCCCc1ccc2[nH+]c(CC)c(C)c(N)c2c1 ZINC000104160798 169024969 /nfs/dbraw/zinc/02/49/69/169024969.db2.gz XZFUBOOAROJAFY-UHFFFAOYSA-N 1 0 242.366 4.030 10 0 BIAERO CCCNc1cc(C)[nH+]c2c(CCC)cccc12 ZINC000104162730 169293583 /nfs/dbraw/zinc/29/35/83/169293583.db2.gz MRXUWMUOHQSYCU-UHFFFAOYSA-N 1 0 242.366 4.318 10 0 BIAERO CCNc1c(C)c(CC)[nH+]c2c(C)ccc(C)c12 ZINC000104162965 170170317 /nfs/dbraw/zinc/17/03/17/170170317.db2.gz WGNPASYTCYJPNP-UHFFFAOYSA-N 1 0 242.366 4.154 10 0 BIAERO CCCNc1c(C)c(CC)[nH+]c2ccc(F)cc21 ZINC000104163578 169293885 /nfs/dbraw/zinc/29/38/85/169293885.db2.gz QCICPNGPANOMSJ-UHFFFAOYSA-N 1 0 246.329 4.067 10 0 BIAERO C[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000104169888 176082006 /nfs/dbraw/zinc/08/20/06/176082006.db2.gz GWJNPPXPZQEUKE-OCCSQVGLSA-N 1 0 240.350 4.225 10 0 BIAERO C[C@@H]1CCCC[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000104169898 176089167 /nfs/dbraw/zinc/08/91/67/176089167.db2.gz GWJNPPXPZQEUKE-TZMCWYRMSA-N 1 0 240.350 4.225 10 0 BIAERO CC(C)C[NH2+]C[C@H]1C[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000104170115 167008713 /nfs/dbraw/zinc/00/87/13/167008713.db2.gz VOEUXHVIXGTKAF-SQWLQELKSA-N 1 0 237.431 4.085 10 0 BIAERO CC(C)C[NH2+]C[C@H]1C[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000104170123 167007721 /nfs/dbraw/zinc/00/77/21/167007721.db2.gz VOEUXHVIXGTKAF-LZWOXQAQSA-N 1 0 237.431 4.085 10 0 BIAERO CCC[NH2+][C@@H]1CCCc2ccc(C(C)(C)C)cc21 ZINC000104170150 169282389 /nfs/dbraw/zinc/28/23/89/169282389.db2.gz WDABXHBNTDXXSA-MRXNPFEDSA-N 1 0 245.410 4.361 10 0 BIAERO CCC[NH2+][C@H]1CCCc2ccc(C(C)(C)C)cc21 ZINC000104170154 169291320 /nfs/dbraw/zinc/29/13/20/169291320.db2.gz WDABXHBNTDXXSA-INIZCTEOSA-N 1 0 245.410 4.361 10 0 BIAERO CCCC[C@@H](CC)[C@H]([NH3+])Cc1cccc(C)c1 ZINC000104170886 168961152 /nfs/dbraw/zinc/96/11/52/168961152.db2.gz VUYRCFKFPSYSBM-HZPDHXFCSA-N 1 0 233.399 4.081 10 0 BIAERO CCCC[C@H](CC)[C@H]([NH3+])Cc1cccc(C)c1 ZINC000104170892 169001114 /nfs/dbraw/zinc/00/11/14/169001114.db2.gz VUYRCFKFPSYSBM-JKSUJKDBSA-N 1 0 233.399 4.081 10 0 BIAERO CCCC[C@H](CC)[C@@H]([NH3+])Cc1cccc(C)c1 ZINC000104170899 169001456 /nfs/dbraw/zinc/00/14/56/169001456.db2.gz VUYRCFKFPSYSBM-HOTGVXAUSA-N 1 0 233.399 4.081 10 0 BIAERO CCCc1ccc2c(c1)[C@H]([NH2+]CC)C[C@@H](C)CC2 ZINC000104171471 169576876 /nfs/dbraw/zinc/57/68/76/169576876.db2.gz KYHNJMJCXHHVFQ-SUMWQHHRSA-N 1 0 245.410 4.262 10 0 BIAERO CCCC[C@H](CC)[C@H]([NH3+])Cc1ccccc1C ZINC000104173400 169000731 /nfs/dbraw/zinc/00/07/31/169000731.db2.gz MACWCTOGJXBOKP-GOEBONIOSA-N 1 0 233.399 4.081 10 0 BIAERO CCCC[C@@H](CC)[C@@H]([NH3+])Cc1ccccc1C ZINC000104173403 168960084 /nfs/dbraw/zinc/96/00/84/168960084.db2.gz MACWCTOGJXBOKP-ZBFHGGJFSA-N 1 0 233.399 4.081 10 0 BIAERO CCCC[C@H](CC)[C@@H]([NH3+])Cc1ccccc1C ZINC000104173406 169000659 /nfs/dbraw/zinc/00/06/59/169000659.db2.gz MACWCTOGJXBOKP-HOCLYGCPSA-N 1 0 233.399 4.081 10 0 BIAERO CCCC[C@H](CC)[C@H]([NH3+])Cc1ccc(C)cc1 ZINC000104173414 169000724 /nfs/dbraw/zinc/00/07/24/169000724.db2.gz HQFCKCGGYNIKKA-JKSUJKDBSA-N 1 0 233.399 4.081 10 0 BIAERO CCC[NH2+][C@H](Cc1cccc(C)c1)[C@H](C)CCC ZINC000104173465 169290182 /nfs/dbraw/zinc/29/01/82/169290182.db2.gz ZKPCYUKSVQKPQH-NVXWUHKLSA-N 1 0 247.426 4.342 10 0 BIAERO CCC[NH2+][C@H](Cc1cccc(C)c1)[C@@H](C)CCC ZINC000104173468 169289652 /nfs/dbraw/zinc/28/96/52/169289652.db2.gz ZKPCYUKSVQKPQH-DOTOQJQBSA-N 1 0 247.426 4.342 10 0 BIAERO CCC[NH2+][C@@H](Cc1cccc(C)c1)[C@H](C)CCC ZINC000104173472 169278890 /nfs/dbraw/zinc/27/88/90/169278890.db2.gz ZKPCYUKSVQKPQH-WBVHZDCISA-N 1 0 247.426 4.342 10 0 BIAERO CCC[NH2+][C@@H](Cc1cccc(C)c1)[C@@H](C)CCC ZINC000104173476 169279523 /nfs/dbraw/zinc/27/95/23/169279523.db2.gz ZKPCYUKSVQKPQH-RDJZCZTQSA-N 1 0 247.426 4.342 10 0 BIAERO Cc1cc(NCCCC(C)C)c2ccccc2[nH+]1 ZINC000104176217 178158023 /nfs/dbraw/zinc/15/80/23/178158023.db2.gz FWHAKVJZAQLESI-UHFFFAOYSA-N 1 0 242.366 4.391 10 0 BIAERO CC[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c2ccccc12 ZINC000104177440 171367535 /nfs/dbraw/zinc/36/75/35/171367535.db2.gz WAXUXAMHTHFWRF-WCQYABFASA-N 1 0 242.366 4.390 10 0 BIAERO CC[C@H](C)[C@H](C)Nc1cc(C)[nH+]c2ccccc12 ZINC000104177448 171391306 /nfs/dbraw/zinc/39/13/06/171391306.db2.gz WAXUXAMHTHFWRF-AAEUAGOBSA-N 1 0 242.366 4.390 10 0 BIAERO C[NH2+][C@@H](Cc1ccccc1C)C1CCCCCC1 ZINC000104178390 173425702 /nfs/dbraw/zinc/42/57/02/173425702.db2.gz VIJROPWABUETOA-KRWDZBQOSA-N 1 0 245.410 4.096 10 0 BIAERO CCC[NH2+][C@@H]1CCCc2ccc(CC(C)C)cc21 ZINC000104179001 169281664 /nfs/dbraw/zinc/28/16/64/169281664.db2.gz PVNAJKAIVJGVRU-QGZVFWFLSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[NH2+][C@H]1CCCc2ccc(CC(C)C)cc21 ZINC000104179004 169292119 /nfs/dbraw/zinc/29/21/19/169292119.db2.gz PVNAJKAIVJGVRU-KRWDZBQOSA-N 1 0 245.410 4.262 10 0 BIAERO CCC[NH2+][C@@H](Cc1ccccc1C)CC(C)(C)C ZINC000104179714 169279306 /nfs/dbraw/zinc/27/93/06/169279306.db2.gz FSTFFJMYGSATML-INIZCTEOSA-N 1 0 247.426 4.342 10 0 BIAERO CCC[NH2+][C@H](Cc1ccccc1C)CC(C)(C)C ZINC000104179718 169289614 /nfs/dbraw/zinc/28/96/14/169289614.db2.gz FSTFFJMYGSATML-MRXNPFEDSA-N 1 0 247.426 4.342 10 0 BIAERO C[NH2+][C@@H]1C[C@H](C)CCc2ccc(CC(C)C)cc21 ZINC000104180177 173439912 /nfs/dbraw/zinc/43/99/12/173439912.db2.gz LEJZLISWCLPYFV-CXAGYDPISA-N 1 0 245.410 4.118 10 0 BIAERO C[NH2+][C@H]1C[C@H](C)CCc2ccc(CC(C)C)cc21 ZINC000104180183 173468838 /nfs/dbraw/zinc/46/88/38/173468838.db2.gz LEJZLISWCLPYFV-DYVFJYSZSA-N 1 0 245.410 4.118 10 0 BIAERO C[NH2+][C@H]1C[C@@H](C)CCc2ccc(CC(C)C)cc21 ZINC000104180186 173468206 /nfs/dbraw/zinc/46/82/06/173468206.db2.gz LEJZLISWCLPYFV-GUYCJALGSA-N 1 0 245.410 4.118 10 0 BIAERO CCC[C@@H](C)[C@@H](Cc1ccc(C)c(C)c1)[NH2+]CC ZINC000104180804 169372653 /nfs/dbraw/zinc/37/26/53/169372653.db2.gz UGFXTIWEXBBPGN-RHSMWYFYSA-N 1 0 247.426 4.260 10 0 BIAERO CCC[C@@H](C)[C@H](Cc1ccc(C)c(C)c1)[NH2+]CC ZINC000104180807 169372995 /nfs/dbraw/zinc/37/29/95/169372995.db2.gz UGFXTIWEXBBPGN-PBHICJAKSA-N 1 0 247.426 4.260 10 0 BIAERO CCC[C@H](C)[C@H](Cc1ccc(C)c(C)c1)[NH2+]CC ZINC000104180812 169495395 /nfs/dbraw/zinc/49/53/95/169495395.db2.gz UGFXTIWEXBBPGN-YOEHRIQHSA-N 1 0 247.426 4.260 10 0 BIAERO CCC[NH2+][C@@H]1CCCCc2c(C)cc(C)cc21 ZINC000104181225 169282277 /nfs/dbraw/zinc/28/22/77/169282277.db2.gz PQSMTAPYSZAUDM-MRXNPFEDSA-N 1 0 231.383 4.071 10 0 BIAERO CCC[NH2+][C@H]1CCCCc2c(C)cc(C)cc21 ZINC000104181227 169290559 /nfs/dbraw/zinc/29/05/59/169290559.db2.gz PQSMTAPYSZAUDM-INIZCTEOSA-N 1 0 231.383 4.071 10 0 BIAERO CC[NH2+][C@@H]1CC(C)(C)CCc2c(C)ccc(C)c21 ZINC000104181239 170149402 /nfs/dbraw/zinc/14/94/02/170149402.db2.gz XESYYSHEPRJEMK-OAHLLOKOSA-N 1 0 245.410 4.317 10 0 BIAERO CC[NH2+][C@H]1CC(C)(C)CCc2c(C)ccc(C)c21 ZINC000104181241 170165577 /nfs/dbraw/zinc/16/55/77/170165577.db2.gz XESYYSHEPRJEMK-HNNXBMFYSA-N 1 0 245.410 4.317 10 0 BIAERO CCC[NH2+][C@@H](Cc1ccc(C)cc1)CC(C)(C)C ZINC000104181689 169279283 /nfs/dbraw/zinc/27/92/83/169279283.db2.gz FFEFXDZTUZXTRL-INIZCTEOSA-N 1 0 247.426 4.342 10 0 BIAERO CCC[NH2+][C@H](Cc1ccc(C)cc1)CC(C)(C)C ZINC000104181691 169290085 /nfs/dbraw/zinc/29/00/85/169290085.db2.gz FFEFXDZTUZXTRL-MRXNPFEDSA-N 1 0 247.426 4.342 10 0 BIAERO CC[NH2+][C@@H]1CC(C)(C)CCc2ccc(C)cc21 ZINC000104182040 170149433 /nfs/dbraw/zinc/14/94/33/170149433.db2.gz VKZXJKCVKLGAIB-OAHLLOKOSA-N 1 0 231.383 4.008 10 0 BIAERO CC[NH2+][C@H]1CC(C)(C)CCc2ccc(C)cc21 ZINC000104182042 170166061 /nfs/dbraw/zinc/16/60/61/170166061.db2.gz VKZXJKCVKLGAIB-HNNXBMFYSA-N 1 0 231.383 4.008 10 0 BIAERO CCCC[C@H](CC)[C@@H](Cc1ccccc1)[NH2+]CC ZINC000104182545 169000741 /nfs/dbraw/zinc/00/07/41/169000741.db2.gz DXFORBOSWBSRMJ-DLBZAZTESA-N 1 0 247.426 4.424 10 0 BIAERO CCCC[C@H](CC)[C@H](Cc1ccccc1)[NH2+]CC ZINC000104182549 169000900 /nfs/dbraw/zinc/00/09/00/169000900.db2.gz DXFORBOSWBSRMJ-IRXDYDNUSA-N 1 0 247.426 4.424 10 0 BIAERO CC[NH2+][C@@H]1CC(C)(C)CCc2ccc(CC)cc21 ZINC000104184867 170149213 /nfs/dbraw/zinc/14/92/13/170149213.db2.gz CRUBLRUUCOWKIA-MRXNPFEDSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@H]1CC(C)(C)CCc2ccc(CC)cc21 ZINC000104184868 170166165 /nfs/dbraw/zinc/16/61/65/170166165.db2.gz CRUBLRUUCOWKIA-INIZCTEOSA-N 1 0 245.410 4.262 10 0 BIAERO CC[NH2+][C@H](Cc1c(C)cc(C)cc1C)[C@H](C)CC ZINC000104205258 170162133 /nfs/dbraw/zinc/16/21/33/170162133.db2.gz PUYWWZICMSMFAF-CXAGYDPISA-N 1 0 247.426 4.179 10 0 BIAERO CC[NH2+][C@H](Cc1c(C)cc(C)cc1C)[C@@H](C)CC ZINC000104205263 170162566 /nfs/dbraw/zinc/16/25/66/170162566.db2.gz PUYWWZICMSMFAF-SUMWQHHRSA-N 1 0 247.426 4.179 10 0 BIAERO CC[NH2+][C@@H](Cc1c(C)cc(C)cc1C)[C@H](C)CC ZINC000104205267 170146664 /nfs/dbraw/zinc/14/66/64/170146664.db2.gz PUYWWZICMSMFAF-DYVFJYSZSA-N 1 0 247.426 4.179 10 0 BIAERO CC[NH2+][C@@H](Cc1c(C)cc(C)cc1C)[C@@H](C)CC ZINC000104205270 170146876 /nfs/dbraw/zinc/14/68/76/170146876.db2.gz PUYWWZICMSMFAF-GUYCJALGSA-N 1 0 247.426 4.179 10 0 BIAERO CC(C)C[C@@H](C[NH3+])Cc1csc2ccccc12 ZINC000104207534 187978496 /nfs/dbraw/zinc/97/84/96/187978496.db2.gz QJPAYTDNFZGGOD-GFCCVEGCSA-N 1 0 247.407 4.065 10 0 BIAERO CCC[C@@H](C[NH2+]C)Cc1csc2ccccc12 ZINC000104209257 169384287 /nfs/dbraw/zinc/38/42/87/169384287.db2.gz MIVFMSPPAXQPNZ-GFCCVEGCSA-N 1 0 247.407 4.080 10 0 BIAERO CCC[C@](C)(C[NH3+])Cc1csc2ccccc12 ZINC000104209322 169543894 /nfs/dbraw/zinc/54/38/94/169543894.db2.gz ZJIIEWRSMSVUKV-HNNXBMFYSA-N 1 0 247.407 4.209 10 0 BIAERO CC[NH2+]CC(C)(C)Cc1csc2ccccc12 ZINC000104209335 170110271 /nfs/dbraw/zinc/11/02/71/170110271.db2.gz GPZACAYXKGDPLG-UHFFFAOYSA-N 1 0 247.407 4.080 10 0 BIAERO CCC[NH2+][C@@H](CCc1ccccc1)[C@@H](C)CC ZINC000104209945 169279018 /nfs/dbraw/zinc/27/90/18/169279018.db2.gz IRQQUCWUQFXFKD-HOCLYGCPSA-N 1 0 233.399 4.034 10 0 BIAERO CCC[NH2+][C@H](CCc1ccccc1)[C@@H](C)CC ZINC000104209949 169289073 /nfs/dbraw/zinc/28/90/73/169289073.db2.gz IRQQUCWUQFXFKD-GOEBONIOSA-N 1 0 233.399 4.034 10 0 BIAERO CCC[NH2+][C@@H](CCc1ccccc1)[C@H](C)CC ZINC000104209953 169279331 /nfs/dbraw/zinc/27/93/31/169279331.db2.gz IRQQUCWUQFXFKD-ZBFHGGJFSA-N 1 0 233.399 4.034 10 0 BIAERO CCC[NH2+][C@H](CCc1ccccc1)[C@H](C)CC ZINC000104209955 169289362 /nfs/dbraw/zinc/28/93/62/169289362.db2.gz IRQQUCWUQFXFKD-GDBMZVCRSA-N 1 0 233.399 4.034 10 0 BIAERO CCC[NH2+][C@@H](c1cc(F)cc(F)c1)[C@@H](C)CC ZINC000104211709 169278871 /nfs/dbraw/zinc/27/88/71/169278871.db2.gz ZDBFVYVAOWGBGM-IINYFYTJSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@H](c1cc(F)cc(F)c1)[C@@H](C)CC ZINC000104211714 169290029 /nfs/dbraw/zinc/29/00/29/169290029.db2.gz ZDBFVYVAOWGBGM-HZMBPMFUSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@@H](c1cc(F)cc(F)c1)[C@H](C)CC ZINC000104211719 169278947 /nfs/dbraw/zinc/27/89/47/169278947.db2.gz ZDBFVYVAOWGBGM-QMTHXVAHSA-N 1 0 241.325 4.052 10 0 BIAERO CCC[NH2+][C@H](c1cc(F)cc(F)c1)[C@H](C)CC ZINC000104211723 169289889 /nfs/dbraw/zinc/28/98/89/169289889.db2.gz ZDBFVYVAOWGBGM-YGRLFVJLSA-N 1 0 241.325 4.052 10 0 BIAERO CC[NH2+][C@@H](C)[C@@H](C)Cc1csc2ccccc12 ZINC000104221874 170140153 /nfs/dbraw/zinc/14/01/53/170140153.db2.gz NQSYKDCQJXRESW-RYUDHWBXSA-N 1 0 247.407 4.078 10 0 BIAERO CC[NH2+][C@H](C)[C@@H](C)Cc1csc2ccccc12 ZINC000104221878 170158621 /nfs/dbraw/zinc/15/86/21/170158621.db2.gz NQSYKDCQJXRESW-NWDGAFQWSA-N 1 0 247.407 4.078 10 0 BIAERO CC[NH2+][C@@H](C)[C@H](C)Cc1csc2ccccc12 ZINC000104221881 170141268 /nfs/dbraw/zinc/14/12/68/170141268.db2.gz NQSYKDCQJXRESW-NEPJUHHUSA-N 1 0 247.407 4.078 10 0 BIAERO CC[NH2+][C@H](C)[C@H](C)Cc1csc2ccccc12 ZINC000104221887 170158333 /nfs/dbraw/zinc/15/83/33/170158333.db2.gz NQSYKDCQJXRESW-VXGBXAGGSA-N 1 0 247.407 4.078 10 0 BIAERO CC[C@@]([NH3+])(Cc1csc2ccccc12)C(C)C ZINC000104225300 171192517 /nfs/dbraw/zinc/19/25/17/171192517.db2.gz IKUQHFVCXNKLGI-OAHLLOKOSA-N 1 0 247.407 4.207 10 0 BIAERO CC[NH2+][C@@H](Cc1csc2ccccc12)C(C)C ZINC000104225367 170146615 /nfs/dbraw/zinc/14/66/15/170146615.db2.gz IYPCLSPINSUWTC-AWEZNQCLSA-N 1 0 247.407 4.078 10 0 BIAERO CC[NH2+][C@H](Cc1csc2ccccc12)C(C)C ZINC000104225371 170163277 /nfs/dbraw/zinc/16/32/77/170163277.db2.gz IYPCLSPINSUWTC-CQSZACIVSA-N 1 0 247.407 4.078 10 0 BIAERO CCC[C@@H](Cc1csc2ccccc12)[NH2+]CC ZINC000104225375 169387080 /nfs/dbraw/zinc/38/70/80/169387080.db2.gz MXJHGDMWMKWAKD-ZDUSSCGKSA-N 1 0 247.407 4.222 10 0 BIAERO CC(C)CC[C@H]([NH3+])Cc1csc2ccccc12 ZINC000104226747 166906549 /nfs/dbraw/zinc/90/65/49/166906549.db2.gz IBDNKJJQOXQHLK-ZDUSSCGKSA-N 1 0 247.407 4.207 10 0 BIAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc2ccccc2c1 ZINC000104227358 171399068 /nfs/dbraw/zinc/39/90/68/171399068.db2.gz OIJKLCZAYYVISW-LRDDRELGSA-N 1 0 227.351 4.146 10 0 BIAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc2ccccc2c1 ZINC000104227366 171373820 /nfs/dbraw/zinc/37/38/20/171373820.db2.gz OIJKLCZAYYVISW-BLLLJJGKSA-N 1 0 227.351 4.146 10 0 BIAERO CC[C@H](C)[C@@H](Cc1ccc(C(C)(C)C)cc1)[NH2+]C ZINC000104228908 171369618 /nfs/dbraw/zinc/36/96/18/171369618.db2.gz LIEPVXSVUVPCNC-XJKSGUPXSA-N 1 0 247.426 4.161 10 0 BIAERO CC[C@@H](C)[C@H](Cc1ccc(C(C)(C)C)cc1)[NH2+]C ZINC000104228910 170794443 /nfs/dbraw/zinc/79/44/43/170794443.db2.gz LIEPVXSVUVPCNC-CJNGLKHVSA-N 1 0 247.426 4.161 10 0 BIAERO CC[C@H](C)[C@H](Cc1ccc(C(C)(C)C)cc1)[NH2+]C ZINC000104228913 171393388 /nfs/dbraw/zinc/39/33/88/171393388.db2.gz LIEPVXSVUVPCNC-BBRMVZONSA-N 1 0 247.426 4.161 10 0 BIAERO C([NH2+]C1CCCCCCC1)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104246936 187643290 /nfs/dbraw/zinc/64/32/90/187643290.db2.gz XUYZOHGGTIVAOA-ZNMIVQPWSA-N 1 0 235.415 4.125 10 0 BIAERO CC[NH2+]Cc1ccc(SCC2CCCC2)cc1 ZINC000104285145 170127251 /nfs/dbraw/zinc/12/72/51/170127251.db2.gz BUONKVNYELSLLD-UHFFFAOYSA-N 1 0 249.423 4.078 10 0 BIAERO CC[C@H](C)Sc1ccc(C[NH2+]C2CC2)c(C)c1 ZINC000104287366 171357095 /nfs/dbraw/zinc/35/70/95/171357095.db2.gz FFHBRCPXNGUKKR-LBPRGKRZSA-N 1 0 249.423 4.138 10 0 BIAERO CCC[NH2+]Cc1ccccc1SC1CCCC1 ZINC000104292040 169268100 /nfs/dbraw/zinc/26/81/00/169268100.db2.gz OTXCVUCOQRNXAV-UHFFFAOYSA-N 1 0 249.423 4.221 10 0 BIAERO C[NH2+]Cc1ccc(SC2CCCCC2)c(C)c1 ZINC000104299664 188324418 /nfs/dbraw/zinc/32/44/18/188324418.db2.gz JNIZBBJWPNWOLN-UHFFFAOYSA-N 1 0 249.423 4.139 10 0 BIAERO CC[NH2+]Cc1ccc(SC2CCCCC2)cc1 ZINC000104302921 170127503 /nfs/dbraw/zinc/12/75/03/170127503.db2.gz VMFMOFJVIHRPRK-UHFFFAOYSA-N 1 0 249.423 4.221 10 0 BIAERO CCC[NH2+][C@@H](CC)C[C@@H]1CCCc2ccccc21 ZINC000104307717 169278466 /nfs/dbraw/zinc/27/84/66/169278466.db2.gz XNFZOHCFKVMJQY-HOTGVXAUSA-N 1 0 245.410 4.275 10 0 BIAERO CCC[NH2+][C@H](CC)C[C@@H]1CCCc2ccccc21 ZINC000104307721 169288579 /nfs/dbraw/zinc/28/85/79/169288579.db2.gz XNFZOHCFKVMJQY-JKSUJKDBSA-N 1 0 245.410 4.275 10 0 BIAERO CCC[NH2+][C@@H](CC)C[C@H]1CCCc2ccccc21 ZINC000104307725 169278398 /nfs/dbraw/zinc/27/83/98/169278398.db2.gz XNFZOHCFKVMJQY-CVEARBPZSA-N 1 0 245.410 4.275 10 0 BIAERO CCC[NH2+][C@H](CC)C[C@H]1CCCc2ccccc21 ZINC000104307730 169288501 /nfs/dbraw/zinc/28/85/01/169288501.db2.gz XNFZOHCFKVMJQY-HZPDHXFCSA-N 1 0 245.410 4.275 10 0 BIAERO C[NH2+][C@@H](C[C@@H]1CCCc2ccccc21)C(C)(C)C ZINC000104307751 173425321 /nfs/dbraw/zinc/42/53/21/173425321.db2.gz SGIUJEMEJWROQN-HOCLYGCPSA-N 1 0 245.410 4.131 10 0 BIAERO CC(C)CC[C@H]([NH3+])C[C@H]1CCCc2ccccc21 ZINC000104309400 166906565 /nfs/dbraw/zinc/90/65/65/166906565.db2.gz TWGXJKFHLIUHSG-CVEARBPZSA-N 1 0 245.410 4.260 10 0 BIAERO CC(C)CC[C@@H]([NH3+])C[C@H]1CCCc2ccccc21 ZINC000104309403 166894851 /nfs/dbraw/zinc/89/48/51/166894851.db2.gz TWGXJKFHLIUHSG-HZPDHXFCSA-N 1 0 245.410 4.260 10 0 BIAERO c1ccc2c(c1)CCC[C@H]2CC[C@H]1CCCC[NH2+]1 ZINC000104314769 183441364 /nfs/dbraw/zinc/44/13/64/183441364.db2.gz WKVINUYPVAPNJS-JKSUJKDBSA-N 1 0 243.394 4.029 10 0 BIAERO CC(C)(C)[NH2+]CCC[C@@H]1CCCc2ccccc21 ZINC000104319040 166630093 /nfs/dbraw/zinc/63/00/93/166630093.db2.gz LWHBOGGBIKQDFQ-HNNXBMFYSA-N 1 0 245.410 4.275 10 0 BIAERO CC1([NH2+]C[C@@H]2CCCc3ccccc32)CCCC1 ZINC000104321669 168063006 /nfs/dbraw/zinc/06/30/06/168063006.db2.gz UYUQZCWMCIUFHQ-HNNXBMFYSA-N 1 0 243.394 4.029 10 0 BIAERO CC1([NH2+]C[C@H]2CCCc3ccccc32)CCCC1 ZINC000104321673 168062725 /nfs/dbraw/zinc/06/27/25/168062725.db2.gz UYUQZCWMCIUFHQ-OAHLLOKOSA-N 1 0 243.394 4.029 10 0 BIAERO CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000104321678 170772583 /nfs/dbraw/zinc/77/25/83/170772583.db2.gz AGURZJPMWSJLMB-FMKPAKJESA-N 1 0 245.410 4.131 10 0 BIAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000104321680 171365482 /nfs/dbraw/zinc/36/54/82/171365482.db2.gz AGURZJPMWSJLMB-LZWOXQAQSA-N 1 0 245.410 4.131 10 0 BIAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000104321689 171388540 /nfs/dbraw/zinc/38/85/40/171388540.db2.gz AGURZJPMWSJLMB-DZKIICNBSA-N 1 0 245.410 4.131 10 0 BIAERO CCC([NH3+])(CC)C[C@@H]1CCCc2ccccc21 ZINC000104321730 168417755 /nfs/dbraw/zinc/41/77/55/168417755.db2.gz DIVSFSVFIFZHES-AWEZNQCLSA-N 1 0 231.383 4.014 10 0 BIAERO CC[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)C(C)C ZINC000104323501 171525691 /nfs/dbraw/zinc/52/56/91/171525691.db2.gz YLUAPKDYNPSFOM-RDJZCZTQSA-N 1 0 245.410 4.131 10 0 BIAERO CC[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)C(C)C ZINC000104323514 170900617 /nfs/dbraw/zinc/90/06/17/170900617.db2.gz YLUAPKDYNPSFOM-NVXWUHKLSA-N 1 0 245.410 4.131 10 0 BIAERO CC[C@@]([NH3+])(C[C@@H]1CCCc2ccccc21)C(C)C ZINC000104323551 171193824 /nfs/dbraw/zinc/19/38/24/171193824.db2.gz LQJUXIQNHWZHIO-DOTOQJQBSA-N 1 0 245.410 4.260 10 0 BIAERO CC[C@@]([NH3+])(C[C@H]1CCCc2ccccc21)C(C)C ZINC000104323561 171193708 /nfs/dbraw/zinc/19/37/08/171193708.db2.gz LQJUXIQNHWZHIO-NVXWUHKLSA-N 1 0 245.410 4.260 10 0 BIAERO Cc1ccc(C[NH2+]C2CCCCCCC2)cc1F ZINC000104328987 178603309 /nfs/dbraw/zinc/60/33/09/178603309.db2.gz SDJOSBWRTNPMRJ-UHFFFAOYSA-N 1 0 249.373 4.337 10 0 BIAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH3+])c1ccc(C)c(F)c1 ZINC000104382983 170971943 /nfs/dbraw/zinc/97/19/43/170971943.db2.gz KOVHVSHONLJFSA-XNRPHZJLSA-N 1 0 249.373 4.350 10 0 BIAERO CC[C@@H]1CCCC[C@@H]1[C@@H](Cc1ccccc1)[NH2+]C ZINC000104383729 170968395 /nfs/dbraw/zinc/96/83/95/170968395.db2.gz QTRWKBQAIQHNAC-IXDOHACOSA-N 1 0 245.410 4.034 10 0 BIAERO CC[C@H]1CCCC[C@@H]1[C@@H](Cc1ccccc1)[NH2+]C ZINC000104383732 171610284 /nfs/dbraw/zinc/61/02/84/171610284.db2.gz QTRWKBQAIQHNAC-YESZJQIVSA-N 1 0 245.410 4.034 10 0 BIAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH2+]C)c1ccccc1 ZINC000104385177 170971969 /nfs/dbraw/zinc/97/19/69/170971969.db2.gz VGECFJRJKOHMAE-FVQBIDKESA-N 1 0 231.383 4.164 10 0 BIAERO CC[C@@H]1CCCC[C@@H]1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000104385227 170968144 /nfs/dbraw/zinc/96/81/44/170968144.db2.gz PAFRWGCQVQLUGM-UGUYLWEFSA-N 1 0 237.431 4.371 10 0 BIAERO CC[C@H]1CCCC[C@@H]1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000104385229 171610762 /nfs/dbraw/zinc/61/07/62/171610762.db2.gz PAFRWGCQVQLUGM-VGWMRTNUSA-N 1 0 237.431 4.371 10 0 BIAERO CC[C@@H]1CCCC[C@H]1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000104385233 170971441 /nfs/dbraw/zinc/97/14/41/170971441.db2.gz PAFRWGCQVQLUGM-WCVJEAGWSA-N 1 0 237.431 4.371 10 0 BIAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccc1 ZINC000104390644 170968414 /nfs/dbraw/zinc/96/84/14/170968414.db2.gz FWZVVDOFZQMNKT-FMKPAKJESA-N 1 0 231.383 4.306 10 0 BIAERO CC[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccc1 ZINC000104390649 171610287 /nfs/dbraw/zinc/61/02/87/171610287.db2.gz FWZVVDOFZQMNKT-YCPHGPKFSA-N 1 0 231.383 4.306 10 0 BIAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000104390652 170971267 /nfs/dbraw/zinc/97/12/67/170971267.db2.gz FWZVVDOFZQMNKT-IIAWOOMASA-N 1 0 231.383 4.306 10 0 BIAERO CCC[NH2+][C@@H](CC(C)C)C(C)(C)c1ccccc1 ZINC000104416222 169276805 /nfs/dbraw/zinc/27/68/05/169276805.db2.gz IDHXRLKQFTUVHT-INIZCTEOSA-N 1 0 247.426 4.379 10 0 BIAERO CCC[NH2+][C@H](CC(C)C)C(C)(C)c1ccccc1 ZINC000104416226 169287942 /nfs/dbraw/zinc/28/79/42/169287942.db2.gz IDHXRLKQFTUVHT-MRXNPFEDSA-N 1 0 247.426 4.379 10 0 BIAERO CC[C@@H]1CCCC[C@@H]1Oc1cccc([C@@H](C)[NH3+])c1 ZINC000104428939 170968539 /nfs/dbraw/zinc/96/85/39/170968539.db2.gz ZFTFLUINNDYMDU-IOASZLSFSA-N 1 0 247.382 4.054 10 0 BIAERO CC[C@H]1CCCC[C@H]1Oc1cccc([C@@H](C)[NH3+])c1 ZINC000104428948 171612604 /nfs/dbraw/zinc/61/26/04/171612604.db2.gz ZFTFLUINNDYMDU-DVOMOZLQSA-N 1 0 247.382 4.054 10 0 BIAERO CCC(CC)[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000104430220 168399734 /nfs/dbraw/zinc/39/97/34/168399734.db2.gz WOZZFKHGZDOJTF-CQSZACIVSA-N 1 0 233.399 4.218 10 0 BIAERO CC[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1ccc(C)o1 ZINC000104432761 170146372 /nfs/dbraw/zinc/14/63/72/170146372.db2.gz UFYXIQBDFPBMHE-YPMHNXCESA-N 1 0 237.387 4.311 10 0 BIAERO CC[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1ccc(C)o1 ZINC000104432765 170162504 /nfs/dbraw/zinc/16/25/04/170162504.db2.gz UFYXIQBDFPBMHE-DGCLKSJQSA-N 1 0 237.387 4.311 10 0 BIAERO CC[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1ccc(C)o1 ZINC000104432767 170146482 /nfs/dbraw/zinc/14/64/82/170146482.db2.gz UFYXIQBDFPBMHE-AAEUAGOBSA-N 1 0 237.387 4.311 10 0 BIAERO CC[NH2+][C@H](C[C@H](C)C(C)(C)C)c1ccc(C)o1 ZINC000104432770 170162361 /nfs/dbraw/zinc/16/23/61/170162361.db2.gz UFYXIQBDFPBMHE-WCQYABFASA-N 1 0 237.387 4.311 10 0 BIAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000104433190 168399846 /nfs/dbraw/zinc/39/98/46/168399846.db2.gz MSZQUZWHYSZDFZ-GFCCVEGCSA-N 1 0 237.362 4.048 10 0 BIAERO CCC(CC)[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000104433195 168405533 /nfs/dbraw/zinc/40/55/33/168405533.db2.gz MSZQUZWHYSZDFZ-LBPRGKRZSA-N 1 0 237.362 4.048 10 0 BIAERO CCC[NH2+][C@@H]1C[C@H](C)c2ccc(CCC)cc21 ZINC000104433403 169284037 /nfs/dbraw/zinc/28/40/37/169284037.db2.gz JTAREZFYBHVGME-BLLLJJGKSA-N 1 0 231.383 4.187 10 0 BIAERO CCC[NH2+][C@H]1C[C@H](C)c2ccc(CCC)cc21 ZINC000104433406 169292887 /nfs/dbraw/zinc/29/28/87/169292887.db2.gz JTAREZFYBHVGME-LRDDRELGSA-N 1 0 231.383 4.187 10 0 BIAERO CCC[NH2+][C@@H]1C[C@@H](C)c2ccc(CCC)cc21 ZINC000104433407 169283645 /nfs/dbraw/zinc/28/36/45/169283645.db2.gz JTAREZFYBHVGME-MLGOLLRUSA-N 1 0 231.383 4.187 10 0 BIAERO CCC[NH2+][C@H]1C[C@@H](C)c2ccc(CCC)cc21 ZINC000104433410 169292941 /nfs/dbraw/zinc/29/29/41/169292941.db2.gz JTAREZFYBHVGME-WBMJQRKESA-N 1 0 231.383 4.187 10 0 BIAERO CCC(CC)[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000104435944 168399408 /nfs/dbraw/zinc/39/94/08/168399408.db2.gz RAXMDAGPXABNEJ-ZIAGYGMSSA-N 1 0 233.399 4.204 10 0 BIAERO CCC(CC)[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000104435949 168399954 /nfs/dbraw/zinc/39/99/54/168399954.db2.gz RAXMDAGPXABNEJ-UONOGXRCSA-N 1 0 233.399 4.204 10 0 BIAERO C[C@@H](CCc1ccccc1)[NH2+]CC1(C)CCCC1 ZINC000104436429 175686039 /nfs/dbraw/zinc/68/60/39/175686039.db2.gz HFPMPJPTHUSEJN-HNNXBMFYSA-N 1 0 245.410 4.178 10 0 BIAERO C[C@H](CCc1ccccc1)[NH2+]CC1(C)CCCC1 ZINC000104436435 176640684 /nfs/dbraw/zinc/64/06/84/176640684.db2.gz HFPMPJPTHUSEJN-OAHLLOKOSA-N 1 0 245.410 4.178 10 0 BIAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000104437282 168399655 /nfs/dbraw/zinc/39/96/55/168399655.db2.gz CQZXMYSMYIYALI-LSDHHAIUSA-N 1 0 247.426 4.422 10 0 BIAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000104437288 168399699 /nfs/dbraw/zinc/39/96/99/168399699.db2.gz CQZXMYSMYIYALI-HUUCEWRRSA-N 1 0 247.426 4.422 10 0 BIAERO CCC(CC)[C@@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000104437321 168399159 /nfs/dbraw/zinc/39/91/59/168399159.db2.gz XGKBHZPOFPGRAT-STHQEUCWSA-N 1 0 249.442 4.225 10 0 BIAERO CC1(C[NH2+][C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CCCC1 ZINC000104438758 168044921 /nfs/dbraw/zinc/04/49/21/168044921.db2.gz FUSVVYLWAXNUPS-JJRVBVJISA-N 1 0 249.442 4.371 10 0 BIAERO CCC[NH2+][C@@H]1C[C@H](C)c2ccc(C(C)C)cc21 ZINC000104439868 169283583 /nfs/dbraw/zinc/28/35/83/169283583.db2.gz UWMNHPIAJHTXGJ-BLLLJJGKSA-N 1 0 231.383 4.358 10 0 BIAERO CCC[NH2+][C@H]1C[C@H](C)c2ccc(C(C)C)cc21 ZINC000104439871 169293063 /nfs/dbraw/zinc/29/30/63/169293063.db2.gz UWMNHPIAJHTXGJ-LRDDRELGSA-N 1 0 231.383 4.358 10 0 BIAERO CCC[NH2+][C@@H]1C[C@@H](C)c2ccc(C(C)C)cc21 ZINC000104439874 169284401 /nfs/dbraw/zinc/28/44/01/169284401.db2.gz UWMNHPIAJHTXGJ-MLGOLLRUSA-N 1 0 231.383 4.358 10 0 BIAERO CCC[NH2+][C@H]1C[C@@H](C)c2ccc(C(C)C)cc21 ZINC000104439877 169292643 /nfs/dbraw/zinc/29/26/43/169292643.db2.gz UWMNHPIAJHTXGJ-WBMJQRKESA-N 1 0 231.383 4.358 10 0 BIAERO COc1ccc([C@H]([NH3+])C[C@@H](C)C(C)(C)C)c(C)c1 ZINC000104440402 175191711 /nfs/dbraw/zinc/19/17/11/175191711.db2.gz LAUVZUPOZNJSCM-IUODEOHRSA-N 1 0 249.398 4.076 10 0 BIAERO COc1ccc([C@H]([NH3+])C[C@H](C)C(C)(C)C)c(C)c1 ZINC000104440409 175192020 /nfs/dbraw/zinc/19/20/20/175192020.db2.gz LAUVZUPOZNJSCM-SWLSCSKDSA-N 1 0 249.398 4.076 10 0 BIAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000104440743 168399361 /nfs/dbraw/zinc/39/93/61/168399361.db2.gz CHHONZBEZGZYMS-NEPJUHHUSA-N 1 0 237.362 4.301 10 0 BIAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000104440748 168399197 /nfs/dbraw/zinc/39/91/97/168399197.db2.gz CHHONZBEZGZYMS-VXGBXAGGSA-N 1 0 237.362 4.301 10 0 BIAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000104441904 168399664 /nfs/dbraw/zinc/39/96/64/168399664.db2.gz QMJOBQRWZWADII-CQSZACIVSA-N 1 0 233.399 4.218 10 0 BIAERO CCC(CC)[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000104441907 168405340 /nfs/dbraw/zinc/40/53/40/168405340.db2.gz QMJOBQRWZWADII-AWEZNQCLSA-N 1 0 233.399 4.218 10 0 BIAERO CC1(C[NH2+][C@@H]2CCCc3sccc32)CCCC1 ZINC000104443583 168045491 /nfs/dbraw/zinc/04/54/91/168045491.db2.gz PLMCGRSZZDQLPB-CYBMUJFWSA-N 1 0 249.423 4.295 10 0 BIAERO CC1(C[NH2+][C@H]2CCCc3sccc32)CCCC1 ZINC000104443587 168046849 /nfs/dbraw/zinc/04/68/49/168046849.db2.gz PLMCGRSZZDQLPB-ZDUSSCGKSA-N 1 0 249.423 4.295 10 0 BIAERO C#[N+]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000104899368 183316929 /nfs/dbraw/zinc/31/69/29/183316929.db2.gz INWZYZYCVPBOTG-UHFFFAOYSA-N 1 0 241.677 4.122 10 0 BIAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000106220539 177193466 /nfs/dbraw/zinc/19/34/66/177193466.db2.gz WMAXAKJYQDFWIO-YEORSEQZSA-N 1 0 237.774 4.008 10 0 BIAERO Cc1ccc(C(C)C)cc1CCC[NH2+]C(C)C ZINC000107289719 178453507 /nfs/dbraw/zinc/45/35/07/178453507.db2.gz LTALAPWZXVZJHP-UHFFFAOYSA-N 1 0 233.399 4.049 10 0 BIAERO CC(C)CC[C@H](C[NH2+]C(C)C)Cc1ccccc1 ZINC000110182483 166905908 /nfs/dbraw/zinc/90/59/08/166905908.db2.gz JNYXBHHTDMJGAE-KRWDZBQOSA-N 1 0 247.426 4.280 10 0 BIAERO CCC[NH2+]C[C@]1(CCC(C)C)C[C@H]2CC[C@@H]1C2 ZINC000110195832 169264454 /nfs/dbraw/zinc/26/44/54/169264454.db2.gz RLFJAQNPWCZWRZ-XHSDSOJGSA-N 1 0 237.431 4.229 10 0 BIAERO CCC[NH2+]C[C@@]1(CCC(C)C)C[C@H]2CC[C@@H]1C2 ZINC000110195835 169263986 /nfs/dbraw/zinc/26/39/86/169263986.db2.gz RLFJAQNPWCZWRZ-ARFHVFGLSA-N 1 0 237.431 4.229 10 0 BIAERO CCC(C)(C)C1CCC2(C[C@@H]2C[NH2+]C2CC2)CC1 ZINC000110267403 168270751 /nfs/dbraw/zinc/27/07/51/168270751.db2.gz QFCAZWHRQCBBPY-XOYHFGRZSA-N 1 0 249.442 4.371 10 0 BIAERO CCC(C)(C)C1CCC2(C[C@H]2C[NH2+]C2CC2)CC1 ZINC000110267407 168270418 /nfs/dbraw/zinc/27/04/18/168270418.db2.gz QFCAZWHRQCBBPY-UUCFBXCCSA-N 1 0 249.442 4.371 10 0 BIAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(C(C)C)cc1 ZINC000110462056 170158669 /nfs/dbraw/zinc/15/86/69/170158669.db2.gz UDCCAHQVPZRFLA-ZBFHGGJFSA-N 1 0 247.426 4.377 10 0 BIAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccc(C(C)C)cc1 ZINC000110462059 170158601 /nfs/dbraw/zinc/15/86/01/170158601.db2.gz UDCCAHQVPZRFLA-GDBMZVCRSA-N 1 0 247.426 4.377 10 0 BIAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(C(C)C)cc1 ZINC000110462061 170140079 /nfs/dbraw/zinc/14/00/79/170140079.db2.gz UDCCAHQVPZRFLA-HOCLYGCPSA-N 1 0 247.426 4.377 10 0 BIAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(C(C)C)cc1 ZINC000110462064 170140646 /nfs/dbraw/zinc/14/06/46/170140646.db2.gz UDCCAHQVPZRFLA-GOEBONIOSA-N 1 0 247.426 4.377 10 0 BIAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1CC1CCCC1 ZINC000110462129 170155244 /nfs/dbraw/zinc/15/52/44/170155244.db2.gz MRVOXYKFWOYIIQ-RDJZCZTQSA-N 1 0 243.394 4.090 10 0 BIAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1CC1CCCC1 ZINC000110462131 170169899 /nfs/dbraw/zinc/16/98/99/170169899.db2.gz MRVOXYKFWOYIIQ-DOTOQJQBSA-N 1 0 243.394 4.090 10 0 BIAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1CC1CCCC1 ZINC000110462133 170155248 /nfs/dbraw/zinc/15/52/48/170155248.db2.gz MRVOXYKFWOYIIQ-WBVHZDCISA-N 1 0 243.394 4.090 10 0 BIAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1CC1CCCC1 ZINC000110462136 170169637 /nfs/dbraw/zinc/16/96/37/170169637.db2.gz MRVOXYKFWOYIIQ-NVXWUHKLSA-N 1 0 243.394 4.090 10 0 BIAERO CCCNc1cc(C)[nH+]c2ccc(C(C)C)cc12 ZINC000110464481 169293491 /nfs/dbraw/zinc/29/34/91/169293491.db2.gz WTYHNGNTEWKZMM-UHFFFAOYSA-N 1 0 242.366 4.489 10 0 BIAERO CC[C@@H](Cc1csc2ccccc12)[C@@H](C)[NH2+]C ZINC000111615069 170857602 /nfs/dbraw/zinc/85/76/02/170857602.db2.gz VJRODEVNOYJIEQ-NEPJUHHUSA-N 1 0 247.407 4.078 10 0 BIAERO CC[C@H](Cc1csc2ccccc12)[C@H](C)[NH2+]C ZINC000111615076 171471567 /nfs/dbraw/zinc/47/15/67/171471567.db2.gz VJRODEVNOYJIEQ-NWDGAFQWSA-N 1 0 247.407 4.078 10 0 BIAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1CCC(C)C ZINC000111726698 170155406 /nfs/dbraw/zinc/15/54/06/170155406.db2.gz NKBWHASBBZCBEE-RDJZCZTQSA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1CCC(C)C ZINC000111726700 170169491 /nfs/dbraw/zinc/16/94/91/170169491.db2.gz NKBWHASBBZCBEE-DOTOQJQBSA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1CCC(C)C ZINC000111726701 170155314 /nfs/dbraw/zinc/15/53/14/170155314.db2.gz NKBWHASBBZCBEE-WBVHZDCISA-N 1 0 245.410 4.336 10 0 BIAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1CCC(C)C ZINC000111726703 170169570 /nfs/dbraw/zinc/16/95/70/170169570.db2.gz NKBWHASBBZCBEE-NVXWUHKLSA-N 1 0 245.410 4.336 10 0 BIAERO CCC[NH2+][C@@H](Cc1cc(C)cc(C)c1)CC(C)C ZINC000111817944 169278973 /nfs/dbraw/zinc/27/89/73/169278973.db2.gz GJTVTRQHDHKSPH-QGZVFWFLSA-N 1 0 247.426 4.260 10 0 BIAERO CCC[NH2+][C@H](Cc1cc(C)cc(C)c1)CC(C)C ZINC000111817947 169289479 /nfs/dbraw/zinc/28/94/79/169289479.db2.gz GJTVTRQHDHKSPH-KRWDZBQOSA-N 1 0 247.426 4.260 10 0 BIAERO CC(C)C[NH2+]CCCc1csc2ccccc12 ZINC000112173244 167004260 /nfs/dbraw/zinc/00/42/60/167004260.db2.gz IMYOCDPHSAGAQP-UHFFFAOYSA-N 1 0 247.407 4.080 10 0 BIAERO CCCCCC[C@H]([NH3+])Cc1ccc(C)c(C)c1 ZINC000112898566 168679469 /nfs/dbraw/zinc/67/94/69/168679469.db2.gz ZCEGGEUILZGPGD-INIZCTEOSA-N 1 0 233.399 4.144 10 0 BIAERO CCC[NH2+][C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000113613976 169292951 /nfs/dbraw/zinc/29/29/51/169292951.db2.gz WHNZSWDYVMPCHR-WFASDCNBSA-N 1 0 243.394 4.286 10 0 BIAERO CCC[NH2+][C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000113613978 169284034 /nfs/dbraw/zinc/28/40/34/169284034.db2.gz WHNZSWDYVMPCHR-IUODEOHRSA-N 1 0 243.394 4.286 10 0 BIAERO [NH3+]Cc1ccc2c(-c3ccccc3)csc2c1 ZINC000113986516 345754935 /nfs/dbraw/zinc/75/49/35/345754935.db2.gz MMIDCJXWWWZNGW-UHFFFAOYSA-N 1 0 239.343 4.027 10 0 BIAERO CCC[NH2+][C@@H](C1=CCCCCC1)C(C)(C)C ZINC000114400178 169277211 /nfs/dbraw/zinc/27/72/11/169277211.db2.gz JEJGVXPNFKADSA-AWEZNQCLSA-N 1 0 223.404 4.291 10 0 BIAERO CCC[NH2+][C@H](C1=CCCCCC1)C(C)(C)C ZINC000114400181 169288146 /nfs/dbraw/zinc/28/81/46/169288146.db2.gz JEJGVXPNFKADSA-CQSZACIVSA-N 1 0 223.404 4.291 10 0 BIAERO Cc1ccc(Cl)cc1NC(=[NH2+])CC(C)(C)C ZINC000116174049 368947468 /nfs/dbraw/zinc/94/74/68/368947468.db2.gz MSLQIGCVJIPGRY-UHFFFAOYSA-N 1 0 238.762 4.474 10 0 BIAERO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290123 323204184 /nfs/dbraw/zinc/20/41/84/323204184.db2.gz DRDSQSUJGAQLQJ-DZGCQCFKSA-N 1 0 241.334 4.178 10 0 BIAERO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290125 323204314 /nfs/dbraw/zinc/20/43/14/323204314.db2.gz DRDSQSUJGAQLQJ-UKRRQHHQSA-N 1 0 241.334 4.178 10 0 BIAERO CC(C)(C)[C@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000128437586 538562892 /nfs/dbraw/zinc/56/28/92/538562892.db2.gz WZHNPPPNLHAXMV-GFCCVEGCSA-N 1 0 237.730 4.132 10 0 BIAERO CC(C)(C)[C@@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000128437809 538563139 /nfs/dbraw/zinc/56/31/39/538563139.db2.gz WZHNPPPNLHAXMV-LBPRGKRZSA-N 1 0 237.730 4.132 10 0 BIAERO c1ccc(C[NH2+]C2CCC3(CCCC3)CC2)cc1 ZINC000129189449 353314854 /nfs/dbraw/zinc/31/48/54/353314854.db2.gz KTLRGNBEPCPPRU-UHFFFAOYSA-N 1 0 243.394 4.279 10 0 BIAERO C[C@H]([NH2+][C@@H](C)C1CC1)c1cc2c(s1)CCCC2 ZINC000129770091 388869311 /nfs/dbraw/zinc/86/93/11/388869311.db2.gz DEUYCDSSCPBADD-QWRGUYRKSA-N 1 0 249.423 4.076 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc2c(s1)CCCC2 ZINC000129770308 388869787 /nfs/dbraw/zinc/86/97/87/388869787.db2.gz DEUYCDSSCPBADD-WDEREUQCSA-N 1 0 249.423 4.076 10 0 BIAERO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCCC2)C1CC1 ZINC000129770511 324983933 /nfs/dbraw/zinc/98/39/33/324983933.db2.gz DEUYCDSSCPBADD-MNOVXSKESA-N 1 0 249.423 4.076 10 0 BIAERO C[C@@H]([NH2+][C@H](C)C1CC1)c1cc2c(s1)CCCC2 ZINC000129770749 388869456 /nfs/dbraw/zinc/86/94/56/388869456.db2.gz DEUYCDSSCPBADD-GHMZBOCLSA-N 1 0 249.423 4.076 10 0 BIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000130326366 322962632 /nfs/dbraw/zinc/96/26/32/322962632.db2.gz VYGXHYFCUOHUMR-AEJSXWLSSA-N 1 0 243.803 4.241 10 0 BIAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000130326794 325040405 /nfs/dbraw/zinc/04/04/05/325040405.db2.gz VYGXHYFCUOHUMR-IVZWLZJFSA-N 1 0 243.803 4.241 10 0 BIAERO C[C@H]([NH2+][C@H]1C=CCCC1)c1cccc(Cl)c1 ZINC000130695649 325080614 /nfs/dbraw/zinc/08/06/14/325080614.db2.gz VPSZEWUGFDCWFO-FZMZJTMJSA-N 1 0 235.758 4.099 10 0 BIAERO C[C@H]([NH2+][C@@H]1C=CCCC1)c1cccc(Cl)c1 ZINC000130696046 325080516 /nfs/dbraw/zinc/08/05/16/325080516.db2.gz VPSZEWUGFDCWFO-SMDDNHRTSA-N 1 0 235.758 4.099 10 0 BIAERO CC(C)C[C@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000131726794 538597740 /nfs/dbraw/zinc/59/77/40/538597740.db2.gz MVZSSGYLPFBJSV-NSHDSACASA-N 1 0 237.730 4.132 10 0 BIAERO CC(C)C[C@@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000131726999 538597306 /nfs/dbraw/zinc/59/73/06/538597306.db2.gz MVZSSGYLPFBJSV-LLVKDONJSA-N 1 0 237.730 4.132 10 0 BIAERO CC(C)C[C@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000131728065 538595551 /nfs/dbraw/zinc/59/55/51/538595551.db2.gz IUTCCDLYSFEZLL-NSHDSACASA-N 1 0 237.730 4.132 10 0 BIAERO CC(C)C[C@@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000131728266 538597138 /nfs/dbraw/zinc/59/71/38/538597138.db2.gz IUTCCDLYSFEZLL-LLVKDONJSA-N 1 0 237.730 4.132 10 0 BIAERO CC[C@@H](C)[C@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000131741820 538597413 /nfs/dbraw/zinc/59/74/13/538597413.db2.gz XWDVAIKDNFGOPF-OQPBUACISA-N 1 0 237.730 4.132 10 0 BIAERO CC[C@H](C)[C@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000131741993 538598382 /nfs/dbraw/zinc/59/83/82/538598382.db2.gz XWDVAIKDNFGOPF-SDBXPKJASA-N 1 0 237.730 4.132 10 0 BIAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000131742234 538109191 /nfs/dbraw/zinc/10/91/91/538109191.db2.gz XWDVAIKDNFGOPF-AMIZOPFISA-N 1 0 237.730 4.132 10 0 BIAERO CC[C@H](C)[C@@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000131742485 538596192 /nfs/dbraw/zinc/59/61/92/538596192.db2.gz XWDVAIKDNFGOPF-ISVAXAHUSA-N 1 0 237.730 4.132 10 0 BIAERO CC[C@@H](C)[C@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000131744385 538597231 /nfs/dbraw/zinc/59/72/31/538597231.db2.gz IXAXHQVHTMXQFK-PELKAZGASA-N 1 0 237.730 4.132 10 0 BIAERO CC[C@H](C)[C@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000131744602 538597285 /nfs/dbraw/zinc/59/72/85/538597285.db2.gz IXAXHQVHTMXQFK-UFBFGSQYSA-N 1 0 237.730 4.132 10 0 BIAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000131744802 538595817 /nfs/dbraw/zinc/59/58/17/538595817.db2.gz IXAXHQVHTMXQFK-PRHODGIISA-N 1 0 237.730 4.132 10 0 BIAERO CC[C@H](C)[C@@H]([NH3+])c1cc2cccc(Cl)c2o1 ZINC000131744992 538597571 /nfs/dbraw/zinc/59/75/71/538597571.db2.gz IXAXHQVHTMXQFK-QPUJVOFHSA-N 1 0 237.730 4.132 10 0 BIAERO CCC(=[NH2+])Nc1cc(Cl)c(C)cc1Cl ZINC000132297219 371787295 /nfs/dbraw/zinc/78/72/95/371787295.db2.gz ZSWUDEKLUYTKCV-UHFFFAOYSA-N 1 0 231.126 4.101 10 0 BIAERO N#[N+]c1c2c(c(Cl)cc1Cl)N=S=N2 ZINC000132390894 371806153 /nfs/dbraw/zinc/80/61/53/371806153.db2.gz XBCPOYFUEHSZRW-UHFFFAOYSA-N 1 0 232.075 4.204 10 0 BIAERO CC[NH2+]C[C@H]1CC[C@H](C(C)C)C[C@@H]1CC(C)C ZINC000132684162 170123808 /nfs/dbraw/zinc/12/38/08/170123808.db2.gz QCOGNPOUVPBTPV-XHSDSOJGSA-N 1 0 239.447 4.331 10 0 BIAERO CC[NH2+]C[C@H]1CC[C@@H](C(C)C)C[C@@H]1CC(C)C ZINC000132684593 170123595 /nfs/dbraw/zinc/12/35/95/170123595.db2.gz QCOGNPOUVPBTPV-OAGGEKHMSA-N 1 0 239.447 4.331 10 0 BIAERO CC(C)[NH2+]Cc1csc(C2CCCCC2)c1 ZINC000132899840 538109322 /nfs/dbraw/zinc/10/93/22/538109322.db2.gz XFXPCHVRIHLYIT-UHFFFAOYSA-N 1 0 237.412 4.294 10 0 BIAERO CC[C@@H](C)[C@H]([NH3+])c1cc2sccc2s1 ZINC000132987009 371963944 /nfs/dbraw/zinc/96/39/44/371963944.db2.gz KZELQOUBGDOMCH-HQJQHLMTSA-N 1 0 225.382 4.009 10 0 BIAERO CC[C@H](C)[C@H]([NH3+])c1cc2sccc2s1 ZINC000132987215 371964341 /nfs/dbraw/zinc/96/43/41/371964341.db2.gz KZELQOUBGDOMCH-CPCISQLKSA-N 1 0 225.382 4.009 10 0 BIAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2sccc2s1 ZINC000132987420 371964376 /nfs/dbraw/zinc/96/43/76/371964376.db2.gz KZELQOUBGDOMCH-RDDDGLTNSA-N 1 0 225.382 4.009 10 0 BIAERO CC[C@H](C)[C@@H]([NH3+])c1cc2sccc2s1 ZINC000132987637 371964146 /nfs/dbraw/zinc/96/41/46/371964146.db2.gz KZELQOUBGDOMCH-WRWORJQWSA-N 1 0 225.382 4.009 10 0 BIAERO CC(C)[N@@H+]1CCCCC[C@@H]1c1ccc(F)cc1 ZINC000141439675 372954002 /nfs/dbraw/zinc/95/40/02/372954002.db2.gz YIKWJVHMOGCYPR-OAHLLOKOSA-N 1 0 235.346 4.151 10 0 BIAERO CC(C)[N@@H+]1CCCCC[C@H]1c1ccc(F)cc1 ZINC000141439862 372953736 /nfs/dbraw/zinc/95/37/36/372953736.db2.gz YIKWJVHMOGCYPR-HNNXBMFYSA-N 1 0 235.346 4.151 10 0 BIAERO [NH3+]CCCC1c2ccccc2C=Cc2ccccc21 ZINC000142623435 345863895 /nfs/dbraw/zinc/86/38/95/345863895.db2.gz QPIUOIZCQUUQAW-UHFFFAOYSA-N 1 0 249.357 4.041 10 0 BIAERO CC(C)(C)[C@H]1c2ccccc2CC[N@@H+]1C(C)(C)C ZINC000143185462 343118041 /nfs/dbraw/zinc/11/80/41/343118041.db2.gz BBDPUWAEYMWPSQ-OAHLLOKOSA-N 1 0 245.410 4.430 10 0 BIAERO CC(C)(C)[C@@H]1c2ccccc2CC[N@@H+]1C(C)(C)C ZINC000143185670 343118006 /nfs/dbraw/zinc/11/80/06/343118006.db2.gz BBDPUWAEYMWPSQ-HNNXBMFYSA-N 1 0 245.410 4.430 10 0 BIAERO CC[C@@H]([NH2+]C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000144903178 541510308 /nfs/dbraw/zinc/51/03/08/541510308.db2.gz NNYAPAQAOUPBCK-GFCCVEGCSA-N 1 0 245.288 4.155 10 0 BIAERO CC[C@H]([NH2+]C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000144903357 541510045 /nfs/dbraw/zinc/51/00/45/541510045.db2.gz NNYAPAQAOUPBCK-LBPRGKRZSA-N 1 0 245.288 4.155 10 0 BIAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)C1CC1 ZINC000149397328 384477895 /nfs/dbraw/zinc/47/78/95/384477895.db2.gz WEAVAVNYUUCNCR-WQGACYEGSA-N 1 0 229.367 4.013 10 0 BIAERO C[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)C1CC1 ZINC000149397721 384477120 /nfs/dbraw/zinc/47/71/20/384477120.db2.gz WEAVAVNYUUCNCR-BFQNTYOBSA-N 1 0 229.367 4.013 10 0 BIAERO CC(C)CCC1(C[NH2+]CC(C)C)C[C@H]2C[C@H]2C1 ZINC000156836938 166797970 /nfs/dbraw/zinc/79/79/70/166797970.db2.gz SNUDLQVYGUDFMK-XYPWUTKMSA-N 1 0 237.431 4.085 10 0 BIAERO CCCCCCC1(C[NH2+]CCC)C[C@H]2C[C@H]2C1 ZINC000157456690 168648056 /nfs/dbraw/zinc/64/80/56/168648056.db2.gz CELRDDBJXSSEML-XYPWUTKMSA-N 1 0 237.431 4.373 10 0 BIAERO CC(C)C[NH2+]CC1(CC2CCCC2)C[C@H]2C[C@H]2C1 ZINC000157552226 167002327 /nfs/dbraw/zinc/00/23/27/167002327.db2.gz WDZIJOJFOGTPBE-SJPCQFCGSA-N 1 0 249.442 4.229 10 0 BIAERO CCCc1ccc([C@H]2C[C@H]([NH2+]C)[C@@]2(C)CC)cc1 ZINC000158697508 169576204 /nfs/dbraw/zinc/57/62/04/169576204.db2.gz UXOXDPJYNUFDLD-IKGGRYGDSA-N 1 0 245.410 4.131 10 0 BIAERO CCCCC[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000159500118 350777095 /nfs/dbraw/zinc/77/70/95/350777095.db2.gz MLOSATMTUAKMFE-LBPRGKRZSA-N 1 0 245.288 4.286 10 0 BIAERO CCCCC[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000159500228 350776944 /nfs/dbraw/zinc/77/69/44/350776944.db2.gz MLOSATMTUAKMFE-GFCCVEGCSA-N 1 0 245.288 4.286 10 0 BIAERO CCCCC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000159610561 350950765 /nfs/dbraw/zinc/95/07/65/350950765.db2.gz WLDQYZJERPVYEF-LBPRGKRZSA-N 1 0 245.288 4.286 10 0 BIAERO CCCCC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000159610698 350950418 /nfs/dbraw/zinc/95/04/18/350950418.db2.gz WLDQYZJERPVYEF-GFCCVEGCSA-N 1 0 245.288 4.286 10 0 BIAERO CCc1ccc(C[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000160135858 323061135 /nfs/dbraw/zinc/06/11/35/323061135.db2.gz UTXNRXNRPSQBAG-CYBMUJFWSA-N 1 0 243.350 4.001 10 0 BIAERO CCc1ccc(C[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000160181537 323062796 /nfs/dbraw/zinc/06/27/96/323062796.db2.gz UTXNRXNRPSQBAG-ZDUSSCGKSA-N 1 0 243.350 4.001 10 0 BIAERO Cc1cc(N[C@@H](C)c2cccc(Cl)c2)cc[nH+]1 ZINC000160914634 178179308 /nfs/dbraw/zinc/17/93/08/178179308.db2.gz DNRPFHBJNBILNT-NSHDSACASA-N 1 0 246.741 4.217 10 0 BIAERO Cc1cc(N[C@@H](C)c2ccc(Cl)cc2)cc[nH+]1 ZINC000160914891 178178728 /nfs/dbraw/zinc/17/87/28/178178728.db2.gz KBIIOOQRZVTAPM-NSHDSACASA-N 1 0 246.741 4.217 10 0 BIAERO Cc1cc(N[C@H](C)c2ccc(Cl)cc2)cc[nH+]1 ZINC000160915024 178187920 /nfs/dbraw/zinc/18/79/20/178187920.db2.gz KBIIOOQRZVTAPM-LLVKDONJSA-N 1 0 246.741 4.217 10 0 BIAERO CC[C@@H]([NH3+])c1c(Cl)cc(Cl)cc1Cl ZINC000161766423 346498996 /nfs/dbraw/zinc/49/89/96/346498996.db2.gz MYRYXZAIGWFCCA-MRVPVSSYSA-N 1 0 238.545 4.057 10 0 BIAERO CCC[NH2+][C@H]1C[C@H](c2ccc(CC)cc2)[C@@H]1CC ZINC000162009497 169292574 /nfs/dbraw/zinc/29/25/74/169292574.db2.gz DCOKGJRQYGBCLA-BBWFWOEESA-N 1 0 245.410 4.131 10 0 BIAERO CCC[NH2+][C@H]1C[C@@H](c2ccc(CC)cc2)[C@@H]1CC ZINC000162009703 169292497 /nfs/dbraw/zinc/29/24/97/169292497.db2.gz DCOKGJRQYGBCLA-ULQDDVLXSA-N 1 0 245.410 4.131 10 0 BIAERO CC[C@H]([NH3+])c1c(Cl)cc(Cl)cc1Cl ZINC000162252162 371640144 /nfs/dbraw/zinc/64/01/44/371640144.db2.gz MYRYXZAIGWFCCA-QMMMGPOBSA-N 1 0 238.545 4.057 10 0 BIAERO CCc1ccc([C@@H](C)Nc2cc[nH+]c(C)c2)cc1 ZINC000162720460 171832519 /nfs/dbraw/zinc/83/25/19/171832519.db2.gz ZUFFIVLDKSSLRG-CYBMUJFWSA-N 1 0 240.350 4.126 10 0 BIAERO CCc1ccc([C@H](C)Nc2cc[nH+]c(C)c2)cc1 ZINC000162720567 386107184 /nfs/dbraw/zinc/10/71/84/386107184.db2.gz ZUFFIVLDKSSLRG-ZDUSSCGKSA-N 1 0 240.350 4.126 10 0 BIAERO Cc1cc(N[C@H](C)c2ccc(C)c(F)c2)cc[nH+]1 ZINC000162808515 178186845 /nfs/dbraw/zinc/18/68/45/178186845.db2.gz CGFLXCFVDHKCJS-GFCCVEGCSA-N 1 0 244.313 4.011 10 0 BIAERO Cc1cc(N[C@@H](C)c2ccc(C)c(F)c2)cc[nH+]1 ZINC000162808645 178178833 /nfs/dbraw/zinc/17/88/33/178178833.db2.gz CGFLXCFVDHKCJS-LBPRGKRZSA-N 1 0 244.313 4.011 10 0 BIAERO CCC(CC)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000162983706 535082072 /nfs/dbraw/zinc/08/20/72/535082072.db2.gz PTDYKTDGIQZWEU-CQSZACIVSA-N 1 0 247.382 4.067 10 0 BIAERO CCC(CC)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000162983820 535082676 /nfs/dbraw/zinc/08/26/76/535082676.db2.gz PTDYKTDGIQZWEU-AWEZNQCLSA-N 1 0 247.382 4.067 10 0 BIAERO CCC[C@@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000162984458 133539549 /nfs/dbraw/zinc/53/95/49/133539549.db2.gz KLTAPUFLYRYIKX-TZMCWYRMSA-N 1 0 247.382 4.067 10 0 BIAERO CCC[C@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000162984570 350490454 /nfs/dbraw/zinc/49/04/54/350490454.db2.gz KLTAPUFLYRYIKX-GXTWGEPZSA-N 1 0 247.382 4.067 10 0 BIAERO CCC[C@@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000162984671 133539262 /nfs/dbraw/zinc/53/92/62/133539262.db2.gz KLTAPUFLYRYIKX-OCCSQVGLSA-N 1 0 247.382 4.067 10 0 BIAERO CCC[C@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000162984765 350490308 /nfs/dbraw/zinc/49/03/08/350490308.db2.gz KLTAPUFLYRYIKX-JSGCOSHPSA-N 1 0 247.382 4.067 10 0 BIAERO CCCCC[C@H]([NH3+])c1cc(F)ccc1Cl ZINC000164590949 372168717 /nfs/dbraw/zinc/16/87/17/372168717.db2.gz MUFYEBQEOCKPEZ-LBPRGKRZSA-N 1 0 229.726 4.059 10 0 BIAERO CCCCC[C@@H]([NH3+])c1cc(F)ccc1Cl ZINC000164591085 372168662 /nfs/dbraw/zinc/16/86/62/372168662.db2.gz MUFYEBQEOCKPEZ-GFCCVEGCSA-N 1 0 229.726 4.059 10 0 BIAERO CC(C)Cc1ccc(-c2ccccc2)c(C[NH3+])c1 ZINC000164857163 342985116 /nfs/dbraw/zinc/98/51/16/342985116.db2.gz IEXRAFPIBPGYJK-UHFFFAOYSA-N 1 0 239.362 4.011 10 0 BIAERO CCCCC[C@H]([NH3+])c1cc(Cl)ccc1F ZINC000165123888 342876067 /nfs/dbraw/zinc/87/60/67/342876067.db2.gz XPPOLZBOARRWSE-LBPRGKRZSA-N 1 0 229.726 4.059 10 0 BIAERO CCCCC[C@@H]([NH3+])c1cc(Cl)ccc1F ZINC000165123995 342876245 /nfs/dbraw/zinc/87/62/45/342876245.db2.gz XPPOLZBOARRWSE-GFCCVEGCSA-N 1 0 229.726 4.059 10 0 BIAERO CC1CCC([NH3+])(c2cccc(C(C)(C)C)c2)CC1 ZINC000165687260 346656789 /nfs/dbraw/zinc/65/67/89/346656789.db2.gz AXHXFVODTNOGNZ-UHFFFAOYSA-N 1 0 245.410 4.348 10 0 BIAERO CC(C)(C)c1cc(F)cc(C2([NH3+])CCCCC2)c1 ZINC000165982668 343283451 /nfs/dbraw/zinc/28/34/51/343283451.db2.gz QXGWWBMBOANRFB-UHFFFAOYSA-N 1 0 249.373 4.241 10 0 BIAERO C[C@@H]1CCCC[C@@]1([NH3+])c1cccc(C(C)(C)C)c1 ZINC000166036244 343302472 /nfs/dbraw/zinc/30/24/72/343302472.db2.gz SOSHROOTAHWSOA-DYVFJYSZSA-N 1 0 245.410 4.348 10 0 BIAERO C[C@H]1CCCC[C@@]1([NH3+])c1cccc(C(C)(C)C)c1 ZINC000166036368 343302328 /nfs/dbraw/zinc/30/23/28/343302328.db2.gz SOSHROOTAHWSOA-GUYCJALGSA-N 1 0 245.410 4.348 10 0 BIAERO C[C@@H]1CCCC[C@]1([NH3+])c1cccc(C(C)(C)C)c1 ZINC000166036484 343302340 /nfs/dbraw/zinc/30/23/40/343302340.db2.gz SOSHROOTAHWSOA-CXAGYDPISA-N 1 0 245.410 4.348 10 0 BIAERO C[C@H]1CCCC[C@]1([NH3+])c1cccc(C(C)(C)C)c1 ZINC000166036607 343302023 /nfs/dbraw/zinc/30/20/23/343302023.db2.gz SOSHROOTAHWSOA-SUMWQHHRSA-N 1 0 245.410 4.348 10 0 BIAERO C[C@@H]1CCC[C@]([NH3+])(c2cccc(C(C)(C)C)c2)C1 ZINC000166186122 346667249 /nfs/dbraw/zinc/66/72/49/346667249.db2.gz SUDYTCQSTUUZJO-CXAGYDPISA-N 1 0 245.410 4.348 10 0 BIAERO C[C@H]1CCC[C@]([NH3+])(c2cccc(C(C)(C)C)c2)C1 ZINC000166186268 343311132 /nfs/dbraw/zinc/31/11/32/343311132.db2.gz SUDYTCQSTUUZJO-SUMWQHHRSA-N 1 0 245.410 4.348 10 0 BIAERO C[C@@H]1CCC[C@@]([NH3+])(c2cccc(C(C)(C)C)c2)C1 ZINC000166186390 343311084 /nfs/dbraw/zinc/31/10/84/343311084.db2.gz SUDYTCQSTUUZJO-DYVFJYSZSA-N 1 0 245.410 4.348 10 0 BIAERO C[C@H]1CCC[C@@]([NH3+])(c2cccc(C(C)(C)C)c2)C1 ZINC000166186511 343311268 /nfs/dbraw/zinc/31/12/68/343311268.db2.gz SUDYTCQSTUUZJO-GUYCJALGSA-N 1 0 245.410 4.348 10 0 BIAERO CC(C)(C)c1cccc(C2([NH3+])CCCCC2)c1 ZINC000166311692 343418191 /nfs/dbraw/zinc/41/81/91/343418191.db2.gz AWDANHMPXNOZOE-UHFFFAOYSA-N 1 0 231.383 4.102 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(C)C ZINC000166668336 206140731 /nfs/dbraw/zinc/14/07/31/206140731.db2.gz FGFAFUJOBAHTQZ-QWRGUYRKSA-N 1 0 239.325 4.132 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(C)C ZINC000166668451 385269801 /nfs/dbraw/zinc/26/98/01/385269801.db2.gz FGFAFUJOBAHTQZ-WDEREUQCSA-N 1 0 239.325 4.132 10 0 BIAERO CC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C(C)C ZINC000166668571 206141417 /nfs/dbraw/zinc/14/14/17/206141417.db2.gz FGFAFUJOBAHTQZ-MNOVXSKESA-N 1 0 239.325 4.132 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C(C)C ZINC000166668686 206141109 /nfs/dbraw/zinc/14/11/09/206141109.db2.gz FGFAFUJOBAHTQZ-GHMZBOCLSA-N 1 0 239.325 4.132 10 0 BIAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(Cl)c1Cl ZINC000167282790 206144939 /nfs/dbraw/zinc/14/49/39/206144939.db2.gz GGUVBNMMWFWOJU-FYBVGQRMSA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000167282887 206144467 /nfs/dbraw/zinc/14/44/67/206144467.db2.gz GGUVBNMMWFWOJU-LAEOZQHASA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(Cl)c1Cl ZINC000167283008 206145270 /nfs/dbraw/zinc/14/52/70/206145270.db2.gz GGUVBNMMWFWOJU-VHSKPIJISA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000167283113 387788646 /nfs/dbraw/zinc/78/86/46/387788646.db2.gz GGUVBNMMWFWOJU-DKCNOQQISA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(Cl)cc(Cl)c1 ZINC000167298438 206144774 /nfs/dbraw/zinc/14/47/74/206144774.db2.gz UKBDXAZRKNECAV-LWINAJNOSA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(Cl)cc(Cl)c1 ZINC000167298548 206144955 /nfs/dbraw/zinc/14/49/55/206144955.db2.gz UKBDXAZRKNECAV-UBJUHAIHSA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(Cl)cc(Cl)c1 ZINC000167298631 206145229 /nfs/dbraw/zinc/14/52/29/206145229.db2.gz UKBDXAZRKNECAV-RGNHYFCHSA-N 1 0 244.165 4.052 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(Cl)cc(Cl)c1 ZINC000167298734 206145801 /nfs/dbraw/zinc/14/58/01/206145801.db2.gz UKBDXAZRKNECAV-YVZVNANGSA-N 1 0 244.165 4.052 10 0 BIAERO N#[N+]c1ccc(Br)c2ccccc12 ZINC000168156164 351323634 /nfs/dbraw/zinc/32/36/34/351323634.db2.gz OVUOKOZFJOIPFU-UHFFFAOYSA-N 1 0 234.076 4.087 10 0 BIAERO C/C=C(\C)c1cccc(C2([NH3+])CCCCC2)c1 ZINC000168169059 345810955 /nfs/dbraw/zinc/81/09/55/345810955.db2.gz NAKRWUQETUAVDZ-QLKAYGNNSA-N 1 0 229.367 4.228 10 0 BIAERO CC(C)C[C@H]([NH3+])c1cc2sccc2s1 ZINC000168185373 356537521 /nfs/dbraw/zinc/53/75/21/356537521.db2.gz KGNJRGUTHCHJBI-QMMMGPOBSA-N 1 0 225.382 4.009 10 0 BIAERO CC(C)(C)[C@H]1CCCCC[N@@H+]1C(C)(C)C ZINC000168275987 351364036 /nfs/dbraw/zinc/36/40/36/351364036.db2.gz USRYTDBBHFHEBW-GFCCVEGCSA-N 1 0 211.393 4.076 10 0 BIAERO CCC(C)(C)c1cccc(C2([NH3+])CCCCC2)c1 ZINC000168654965 345818731 /nfs/dbraw/zinc/81/87/31/345818731.db2.gz DHGORIXXWRJAEN-UHFFFAOYSA-N 1 0 245.410 4.492 10 0 BIAERO CC1(C)CCC[C@H](Sc2ccc(C[NH3+])cc2)C1 ZINC000168832894 345823102 /nfs/dbraw/zinc/82/31/02/345823102.db2.gz IYMWIHNCHFXTNK-AWEZNQCLSA-N 1 0 249.423 4.206 10 0 BIAERO CC1(C)CCC[C@@H](Sc2ccc(C[NH3+])cc2)C1 ZINC000168832975 345822607 /nfs/dbraw/zinc/82/26/07/345822607.db2.gz IYMWIHNCHFXTNK-CQSZACIVSA-N 1 0 249.423 4.206 10 0 BIAERO CC(C)C[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000169252676 346758204 /nfs/dbraw/zinc/75/82/04/346758204.db2.gz OAMSSTOUUMEZJI-JTQLQIEISA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)C[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000169252738 359981950 /nfs/dbraw/zinc/98/19/50/359981950.db2.gz OAMSSTOUUMEZJI-SNVBAGLBSA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)C[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000169269301 360018985 /nfs/dbraw/zinc/01/89/85/360018985.db2.gz NDMAKJWIGAMRHB-NSHDSACASA-N 1 0 232.154 4.039 10 0 BIAERO CC(C)C[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000169269385 360018786 /nfs/dbraw/zinc/01/87/86/360018786.db2.gz NDMAKJWIGAMRHB-LLVKDONJSA-N 1 0 232.154 4.039 10 0 BIAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)o1 ZINC000178179184 385341646 /nfs/dbraw/zinc/34/16/46/385341646.db2.gz ATWBRIPCAGGELQ-MNOVXSKESA-N 1 0 249.379 4.315 10 0 BIAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)o1 ZINC000178179196 385341012 /nfs/dbraw/zinc/34/10/12/385341012.db2.gz ATWBRIPCAGGELQ-QWRGUYRKSA-N 1 0 249.379 4.315 10 0 BIAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)o1 ZINC000178179206 385340856 /nfs/dbraw/zinc/34/08/56/385340856.db2.gz ATWBRIPCAGGELQ-GHMZBOCLSA-N 1 0 249.379 4.315 10 0 BIAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)o1 ZINC000178179215 385341234 /nfs/dbraw/zinc/34/12/34/385341234.db2.gz ATWBRIPCAGGELQ-WDEREUQCSA-N 1 0 249.379 4.315 10 0 BIAERO CCC1CCC([NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000184287170 388576046 /nfs/dbraw/zinc/57/60/46/388576046.db2.gz UCBOHNPMDDPRNG-HLIUYOAVSA-N 1 0 246.398 4.009 10 0 BIAERO CCC1CCC([NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000184287187 388576015 /nfs/dbraw/zinc/57/60/15/388576015.db2.gz UCBOHNPMDDPRNG-VQCLRJIVSA-N 1 0 246.398 4.009 10 0 BIAERO CC/C=C/CCSCc1nccn1C(C)C ZINC000185567790 388588509 /nfs/dbraw/zinc/58/85/09/388588509.db2.gz JIVAERTXNWYALC-AATRIKPKSA-N 1 0 238.400 4.054 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191127055 205931627 /nfs/dbraw/zinc/93/16/27/205931627.db2.gz OMRVCRFGIISVKB-BDAKNGLRSA-N 1 0 231.792 4.097 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191127070 386758937 /nfs/dbraw/zinc/75/89/37/386758937.db2.gz OMRVCRFGIISVKB-IUCAKERBSA-N 1 0 231.792 4.097 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191127088 386759454 /nfs/dbraw/zinc/75/94/54/386759454.db2.gz OMRVCRFGIISVKB-RKDXNWHRSA-N 1 0 231.792 4.097 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191127107 386758857 /nfs/dbraw/zinc/75/88/57/386758857.db2.gz OMRVCRFGIISVKB-DTWKUNHWSA-N 1 0 231.792 4.097 10 0 BIAERO c1ccc([C@@H]2Cc3ccccc3[C@H]3CCC[N@@H+]32)cc1 ZINC000196277805 343629904 /nfs/dbraw/zinc/62/99/04/343629904.db2.gz HBSZJIABQURJJL-MSOLQXFVSA-N 1 0 249.357 4.121 10 0 BIAERO c1ccc([C@H]2Cc3ccccc3[C@H]3CCC[N@@H+]32)cc1 ZINC000196277811 347866056 /nfs/dbraw/zinc/86/60/56/347866056.db2.gz HBSZJIABQURJJL-QZTJIDSGSA-N 1 0 249.357 4.121 10 0 BIAERO CCCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000197893162 368309551 /nfs/dbraw/zinc/30/95/51/368309551.db2.gz ZHMPWNSNPCYITG-UHFFFAOYSA-N 1 0 231.383 4.089 10 0 BIAERO CCCC[C@@H](C)[NH+](CCCC)CCCC ZINC000199521770 347733840 /nfs/dbraw/zinc/73/38/40/347733840.db2.gz WMJSFJJSJHUGOW-CQSZACIVSA-N 1 0 213.409 4.467 10 0 BIAERO CCCC[C@H](C)[NH+](CCCC)CCCC ZINC000199521786 168990091 /nfs/dbraw/zinc/99/00/91/168990091.db2.gz WMJSFJJSJHUGOW-AWEZNQCLSA-N 1 0 213.409 4.467 10 0 BIAERO CCc1cc(CC(C)(C)C)cc2c1CCC[C@@H]2[NH3+] ZINC000201697757 343390484 /nfs/dbraw/zinc/39/04/84/343390484.db2.gz RBDPFIWJYRLHNQ-INIZCTEOSA-N 1 0 245.410 4.174 10 0 BIAERO CCc1cc(CC(C)(C)C)cc2c1CCC[C@H]2[NH3+] ZINC000201697789 343390318 /nfs/dbraw/zinc/39/03/18/343390318.db2.gz RBDPFIWJYRLHNQ-MRXNPFEDSA-N 1 0 245.410 4.174 10 0 BIAERO CCCc1cccc([C@H]2CCC[N@@H+](CCC)C2)c1 ZINC000220162207 344319080 /nfs/dbraw/zinc/31/90/80/344319080.db2.gz SXCBTZZPBYWDRW-KRWDZBQOSA-N 1 0 245.410 4.229 10 0 BIAERO CC(C)[NH+](CCC1=CCc2ccccc21)C(C)C ZINC000220177803 384692002 /nfs/dbraw/zinc/69/20/02/384692002.db2.gz VJHXHYWXVQKOJR-UHFFFAOYSA-N 1 0 243.394 4.135 10 0 BIAERO CCC1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC000220560446 259310366 /nfs/dbraw/zinc/31/03/66/259310366.db2.gz KURIMHARNUKAAJ-TWGQIWQCSA-N 1 0 243.394 4.258 10 0 BIAERO Cc1ccc(F)c(C[NH2+][C@H](C)c2cccs2)c1 ZINC000221018146 388609140 /nfs/dbraw/zinc/60/91/40/388609140.db2.gz SJKSLGDZAARMFZ-LLVKDONJSA-N 1 0 249.354 4.046 10 0 BIAERO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)C1CC1 ZINC000221805379 134328183 /nfs/dbraw/zinc/32/81/83/134328183.db2.gz WEAVAVNYUUCNCR-XHBSWPGZSA-N 1 0 229.367 4.013 10 0 BIAERO C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)C1CC1 ZINC000221805435 134328182 /nfs/dbraw/zinc/32/81/82/134328182.db2.gz WEAVAVNYUUCNCR-HSMVNMDESA-N 1 0 229.367 4.013 10 0 BIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000222153007 134330160 /nfs/dbraw/zinc/33/01/60/134330160.db2.gz FTQHBGJFGQTQTL-BNOWGMLFSA-N 1 0 247.407 4.002 10 0 BIAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000222153116 535494662 /nfs/dbraw/zinc/49/46/62/535494662.db2.gz FTQHBGJFGQTQTL-MRVWCRGKSA-N 1 0 247.407 4.002 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(C)C ZINC000222720893 388644101 /nfs/dbraw/zinc/64/41/01/388644101.db2.gz DKRSNJXSCQZRKO-GXFFZTMASA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(C)C ZINC000222720955 388643544 /nfs/dbraw/zinc/64/35/44/388643544.db2.gz DKRSNJXSCQZRKO-GWCFXTLKSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(C)C ZINC000222721015 388644174 /nfs/dbraw/zinc/64/41/74/388644174.db2.gz DKRSNJXSCQZRKO-ZWNOBZJWSA-N 1 0 241.325 4.050 10 0 BIAERO CC[C@H]([NH2+][C@H](C)c1cccc(F)c1F)C(C)C ZINC000222721074 259560041 /nfs/dbraw/zinc/56/00/41/259560041.db2.gz DKRSNJXSCQZRKO-MFKMUULPSA-N 1 0 241.325 4.050 10 0 BIAERO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccc(Cl)cc1 ZINC000224732724 388669056 /nfs/dbraw/zinc/66/90/56/388669056.db2.gz NOFKBYAVIHAVQI-BXUZGUMPSA-N 1 0 235.758 4.099 10 0 BIAERO C[C@H]([NH2+][C@@H]1C=CCCC1)c1ccc(Cl)cc1 ZINC000224732766 322988683 /nfs/dbraw/zinc/98/86/83/322988683.db2.gz NOFKBYAVIHAVQI-SMDDNHRTSA-N 1 0 235.758 4.099 10 0 BIAERO C[C@@H]([NH2+][C@H]1C=CCCC1)c1ccc(Cl)cc1 ZINC000224732811 322988631 /nfs/dbraw/zinc/98/86/31/322988631.db2.gz NOFKBYAVIHAVQI-RISCZKNCSA-N 1 0 235.758 4.099 10 0 BIAERO C[C@H]([NH2+][C@H]1C=CCCC1)c1ccc(Cl)cc1 ZINC000224732855 388669673 /nfs/dbraw/zinc/66/96/73/388669673.db2.gz NOFKBYAVIHAVQI-FZMZJTMJSA-N 1 0 235.758 4.099 10 0 BIAERO Cc1ccc(F)c(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000227281228 388746510 /nfs/dbraw/zinc/74/65/10/388746510.db2.gz SJKSLGDZAARMFZ-NSHDSACASA-N 1 0 249.354 4.046 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000227868720 388761759 /nfs/dbraw/zinc/76/17/59/388761759.db2.gz HTCWOFWBPAAPQD-NWANDNLSSA-N 1 0 247.382 4.207 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000227868729 388761005 /nfs/dbraw/zinc/76/10/05/388761005.db2.gz HTCWOFWBPAAPQD-CFVMTHIKSA-N 1 0 247.382 4.207 10 0 BIAERO CCC[C@@H]1C[C@H]1[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000228826180 388774562 /nfs/dbraw/zinc/77/45/62/388774562.db2.gz OTAMIVOTROHQLH-RDHHWEPZSA-N 1 0 243.394 4.019 10 0 BIAERO CCC[C@@H]1C[C@H]1[NH2+]C1CC(c2ccccc2C)C1 ZINC000228826218 259636817 /nfs/dbraw/zinc/63/68/17/259636817.db2.gz MSSLDKDDOJTYDS-ARAOSMHQSA-N 1 0 243.394 4.019 10 0 BIAERO CCCCC[C@@H]([NH3+])c1ccccc1OC(C)C ZINC000228844043 351433652 /nfs/dbraw/zinc/43/36/52/351433652.db2.gz JMNKSGOIDLCPGG-CQSZACIVSA-N 1 0 235.371 4.054 10 0 BIAERO CCCCC[C@H]([NH3+])c1ccccc1OC(C)C ZINC000228844050 351433670 /nfs/dbraw/zinc/43/36/70/351433670.db2.gz JMNKSGOIDLCPGG-AWEZNQCLSA-N 1 0 235.371 4.054 10 0 BIAERO CC[C@@H](Nc1cc[nH+]c(C)c1)c1cccs1 ZINC000229565198 346437516 /nfs/dbraw/zinc/43/75/16/346437516.db2.gz RANYEYANAVQFBZ-GFCCVEGCSA-N 1 0 232.352 4.015 10 0 BIAERO CC[C@H](Nc1cc[nH+]c(C)c1)c1cccs1 ZINC000229565205 171551847 /nfs/dbraw/zinc/55/18/47/171551847.db2.gz RANYEYANAVQFBZ-LBPRGKRZSA-N 1 0 232.352 4.015 10 0 BIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230410821 388825380 /nfs/dbraw/zinc/82/53/80/388825380.db2.gz FCNQOYLHSQXYQW-NGZCFLSTSA-N 1 0 243.803 4.241 10 0 BIAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230410828 388825761 /nfs/dbraw/zinc/82/57/61/388825761.db2.gz FCNQOYLHSQXYQW-IQJOONFLSA-N 1 0 243.803 4.241 10 0 BIAERO CC(C)=C[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000232558176 353733480 /nfs/dbraw/zinc/73/34/80/353733480.db2.gz UQULEWCJYXIMQE-SSDOTTSWSA-N 1 0 236.167 4.021 10 0 BIAERO CC(C)=C[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000232565999 353134675 /nfs/dbraw/zinc/13/46/75/353134675.db2.gz UQULEWCJYXIMQE-ZETCQYMHSA-N 1 0 236.167 4.021 10 0 BIAERO CCCCC[C@H]([NH3+])c1ccc(SCC)cc1 ZINC000232949881 354720022 /nfs/dbraw/zinc/72/00/22/354720022.db2.gz PNOXMICCWWYJPZ-AWEZNQCLSA-N 1 0 237.412 4.379 10 0 BIAERO CCCCC[C@@H]([NH3+])c1ccc(SCC)cc1 ZINC000232972282 350670936 /nfs/dbraw/zinc/67/09/36/350670936.db2.gz PNOXMICCWWYJPZ-CQSZACIVSA-N 1 0 237.412 4.379 10 0 BIAERO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1cccs1 ZINC000235229562 388366555 /nfs/dbraw/zinc/36/65/55/388366555.db2.gz RFMSERYNNOBTFA-WOPDTQHZSA-N 1 0 237.412 4.223 10 0 BIAERO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1cccs1 ZINC000235308980 388367749 /nfs/dbraw/zinc/36/77/49/388367749.db2.gz RFMSERYNNOBTFA-GRYCIOLGSA-N 1 0 237.412 4.223 10 0 BIAERO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1cccs1 ZINC000235540413 388371630 /nfs/dbraw/zinc/37/16/30/388371630.db2.gz RFMSERYNNOBTFA-SRVKXCTJSA-N 1 0 237.412 4.223 10 0 BIAERO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1cccs1 ZINC000235581385 388371909 /nfs/dbraw/zinc/37/19/09/388371909.db2.gz RFMSERYNNOBTFA-SDDRHHMPSA-N 1 0 237.412 4.223 10 0 BIAERO C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246855104 388653910 /nfs/dbraw/zinc/65/39/10/388653910.db2.gz DRDSQSUJGAQLQJ-HIFRSBDPSA-N 1 0 241.334 4.178 10 0 BIAERO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246855117 388653803 /nfs/dbraw/zinc/65/38/03/388653803.db2.gz DRDSQSUJGAQLQJ-ZFWWWQNUSA-N 1 0 241.334 4.178 10 0 BIAERO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000250133689 388784408 /nfs/dbraw/zinc/78/44/08/388784408.db2.gz LUUUMNXALLWQOJ-SUNKGSAMSA-N 1 0 243.350 4.054 10 0 BIAERO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000250133691 259639017 /nfs/dbraw/zinc/63/90/17/259639017.db2.gz LUUUMNXALLWQOJ-UHIISALHSA-N 1 0 243.350 4.054 10 0 BIAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000251495072 135069665 /nfs/dbraw/zinc/06/96/65/135069665.db2.gz DIIYPHWOKHAYGP-BNOWGMLFSA-N 1 0 235.371 4.126 10 0 BIAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000251495571 135069848 /nfs/dbraw/zinc/06/98/48/135069848.db2.gz DIIYPHWOKHAYGP-MRVWCRGKSA-N 1 0 235.371 4.126 10 0 BIAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000252425932 322872277 /nfs/dbraw/zinc/87/22/77/322872277.db2.gz RBNQIUPHZZZJCM-JQFCIGGWSA-N 1 0 243.394 4.101 10 0 BIAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000252425933 322872402 /nfs/dbraw/zinc/87/24/02/322872402.db2.gz RBNQIUPHZZZJCM-RRQGHBQHSA-N 1 0 243.394 4.101 10 0 BIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000252732606 388778240 /nfs/dbraw/zinc/77/82/40/388778240.db2.gz VYGXHYFCUOHUMR-BBBLOLIVSA-N 1 0 243.803 4.241 10 0 BIAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000252732607 388778116 /nfs/dbraw/zinc/77/81/16/388778116.db2.gz VYGXHYFCUOHUMR-OPRDCNLKSA-N 1 0 243.803 4.241 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2csc(C)c2)o1 ZINC000294212576 384624780 /nfs/dbraw/zinc/62/47/80/384624780.db2.gz MQCPMGMGQKYOIQ-NEPJUHHUSA-N 1 0 249.379 4.370 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2csc(C)c2)o1 ZINC000294212585 178846983 /nfs/dbraw/zinc/84/69/83/178846983.db2.gz MQCPMGMGQKYOIQ-NWDGAFQWSA-N 1 0 249.379 4.370 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2csc(C)c2)o1 ZINC000294212593 384626247 /nfs/dbraw/zinc/62/62/47/384626247.db2.gz MQCPMGMGQKYOIQ-RYUDHWBXSA-N 1 0 249.379 4.370 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2csc(C)c2)o1 ZINC000294212602 384624893 /nfs/dbraw/zinc/62/48/93/384624893.db2.gz MQCPMGMGQKYOIQ-VXGBXAGGSA-N 1 0 249.379 4.370 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1ccsc1 ZINC000294409871 388400492 /nfs/dbraw/zinc/40/04/92/388400492.db2.gz MQCNDJLLKWFOGL-AAEUAGOBSA-N 1 0 249.379 4.451 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)c1ccsc1 ZINC000294409876 364776447 /nfs/dbraw/zinc/77/64/47/364776447.db2.gz MQCNDJLLKWFOGL-DGCLKSJQSA-N 1 0 249.379 4.451 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)c1ccsc1 ZINC000294409879 364777103 /nfs/dbraw/zinc/77/71/03/364777103.db2.gz MQCNDJLLKWFOGL-WCQYABFASA-N 1 0 249.379 4.451 10 0 BIAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)c1ccsc1 ZINC000294409882 388400206 /nfs/dbraw/zinc/40/02/06/388400206.db2.gz MQCNDJLLKWFOGL-YPMHNXCESA-N 1 0 249.379 4.451 10 0 BIAERO Cc1cccc(C[NH2+][C@H](C)c2cccs2)c1F ZINC000294861927 179100321 /nfs/dbraw/zinc/10/03/21/179100321.db2.gz VXYQMMPYODBTJS-LLVKDONJSA-N 1 0 249.354 4.046 10 0 BIAERO Cc1cccc(C[NH2+][C@@H](C)c2cccs2)c1F ZINC000294861931 179097844 /nfs/dbraw/zinc/09/78/44/179097844.db2.gz VXYQMMPYODBTJS-NSHDSACASA-N 1 0 249.354 4.046 10 0 BIAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1csc(Cl)c1 ZINC000300359045 527866179 /nfs/dbraw/zinc/86/61/79/527866179.db2.gz FCNQOYLHSQXYQW-FXPVBKGRSA-N 1 0 243.803 4.241 10 0 BIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1csc(Cl)c1 ZINC000300359046 527831644 /nfs/dbraw/zinc/83/16/44/527831644.db2.gz FCNQOYLHSQXYQW-KKZNHRDASA-N 1 0 243.803 4.241 10 0 BIAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000300413686 387208201 /nfs/dbraw/zinc/20/82/01/387208201.db2.gz FTQHBGJFGQTQTL-KWCYVHTRSA-N 1 0 247.407 4.002 10 0 BIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000300413687 387208557 /nfs/dbraw/zinc/20/85/57/387208557.db2.gz FTQHBGJFGQTQTL-XBFCOCLRSA-N 1 0 247.407 4.002 10 0 BIAERO CC(C)C[C@@H](C)C[NH2+][C@@H](C)c1cccs1 ZINC000300983792 528253697 /nfs/dbraw/zinc/25/36/97/528253697.db2.gz UQPJHGUXOXCFCJ-NEPJUHHUSA-N 1 0 225.401 4.081 10 0 BIAERO CC(C)C[C@H](C)C[NH2+][C@H](C)c1cccs1 ZINC000300983793 528461857 /nfs/dbraw/zinc/46/18/57/528461857.db2.gz UQPJHGUXOXCFCJ-NWDGAFQWSA-N 1 0 225.401 4.081 10 0 BIAERO CC(C)C[C@H](C)C[NH2+][C@@H](C)c1cccs1 ZINC000300983794 528461561 /nfs/dbraw/zinc/46/15/61/528461561.db2.gz UQPJHGUXOXCFCJ-RYUDHWBXSA-N 1 0 225.401 4.081 10 0 BIAERO CC(C)C[C@@H](C)C[NH2+][C@H](C)c1cccs1 ZINC000300983795 528253910 /nfs/dbraw/zinc/25/39/10/528253910.db2.gz UQPJHGUXOXCFCJ-VXGBXAGGSA-N 1 0 225.401 4.081 10 0 BIAERO CCc1ccc([C@H](C)[NH2+]CCCCCF)cc1 ZINC000302521160 385688070 /nfs/dbraw/zinc/68/80/70/385688070.db2.gz PAGLNYSZADNLBI-ZDUSSCGKSA-N 1 0 237.362 4.039 10 0 BIAERO C[C@H]([NH2+]CCCCCF)c1cccc(Cl)c1 ZINC000304318477 229348374 /nfs/dbraw/zinc/34/83/74/229348374.db2.gz BWBBZWOHGOLWGX-NSHDSACASA-N 1 0 243.753 4.130 10 0 BIAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000304360079 537902419 /nfs/dbraw/zinc/90/24/19/537902419.db2.gz SCYWWZYORXFIGR-AMIZOPFISA-N 1 0 237.730 4.132 10 0 BIAERO CC[C@H](C)[C@@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000304360082 537903768 /nfs/dbraw/zinc/90/37/68/537903768.db2.gz SCYWWZYORXFIGR-ISVAXAHUSA-N 1 0 237.730 4.132 10 0 BIAERO CC[C@@H](C)[C@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000304360084 537902069 /nfs/dbraw/zinc/90/20/69/537902069.db2.gz SCYWWZYORXFIGR-OQPBUACISA-N 1 0 237.730 4.132 10 0 BIAERO CC[C@H](C)[C@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000304360086 537903823 /nfs/dbraw/zinc/90/38/23/537903823.db2.gz SCYWWZYORXFIGR-SDBXPKJASA-N 1 0 237.730 4.132 10 0 BIAERO c1ccc(C[NH2+][C@H]2CCCCC23CCCC3)cc1 ZINC000306255327 359475050 /nfs/dbraw/zinc/47/50/50/359475050.db2.gz VMAUNWULEPTNAW-INIZCTEOSA-N 1 0 243.394 4.279 10 0 BIAERO c1ccc(C[NH2+][C@@H]2CCCCC23CCCC3)cc1 ZINC000306255328 359474847 /nfs/dbraw/zinc/47/48/47/359474847.db2.gz VMAUNWULEPTNAW-MRXNPFEDSA-N 1 0 243.394 4.279 10 0 BIAERO CC1([NH2+]C/C(Cl)=C/Cl)CCCCCC1 ZINC000306613060 353029686 /nfs/dbraw/zinc/02/96/86/353029686.db2.gz KAEULOGWTNRURL-NTMALXAHSA-N 1 0 236.186 4.008 10 0 BIAERO c1ccc(C[NH2+][C@H]2CCCC23CCCCC3)cc1 ZINC000307321185 352015191 /nfs/dbraw/zinc/01/51/91/352015191.db2.gz WLHJFARQCMKXLW-INIZCTEOSA-N 1 0 243.394 4.279 10 0 BIAERO c1ccc(C[NH2+][C@@H]2CCCC23CCCCC3)cc1 ZINC000307321187 352015132 /nfs/dbraw/zinc/01/51/32/352015132.db2.gz WLHJFARQCMKXLW-MRXNPFEDSA-N 1 0 243.394 4.279 10 0 BIAERO CC(C)(C)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)CC1 ZINC000307559768 352649551 /nfs/dbraw/zinc/64/95/51/352649551.db2.gz ZIWMQGCKCMLUFJ-IYBDPMFKSA-N 1 0 245.410 4.381 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccc(Cl)s1 ZINC000308876128 229254774 /nfs/dbraw/zinc/25/47/74/229254774.db2.gz BNSBVTOKPFEIER-AATLWQCWSA-N 1 0 243.803 4.097 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccc(Cl)s1 ZINC000308876129 229254279 /nfs/dbraw/zinc/25/42/79/229254279.db2.gz BNSBVTOKPFEIER-DOLQZWNJSA-N 1 0 243.803 4.097 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccc(Cl)s1 ZINC000308876130 229254224 /nfs/dbraw/zinc/25/42/24/229254224.db2.gz BNSBVTOKPFEIER-QCLAVDOMSA-N 1 0 243.803 4.097 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(Cl)s1 ZINC000308876131 229254790 /nfs/dbraw/zinc/25/47/90/229254790.db2.gz BNSBVTOKPFEIER-XFWSIPNHSA-N 1 0 243.803 4.097 10 0 BIAERO C[C@@H]([NH2+]Cc1sccc1Cl)C1CCCC1 ZINC000308919507 229257803 /nfs/dbraw/zinc/25/78/03/229257803.db2.gz YTJWRHDSKMUFFM-SECBINFHSA-N 1 0 243.803 4.070 10 0 BIAERO C[C@H]([NH2+]Cc1sccc1Cl)C1CCCC1 ZINC000308919513 533952202 /nfs/dbraw/zinc/95/22/02/533952202.db2.gz YTJWRHDSKMUFFM-VIFPVBQESA-N 1 0 243.803 4.070 10 0 BIAERO C[C@H]([NH2+]CCCCCF)c1ccc(Cl)s1 ZINC000308968906 229275435 /nfs/dbraw/zinc/27/54/35/229275435.db2.gz XTDOHQFNVLSFSS-VIFPVBQESA-N 1 0 249.782 4.192 10 0 BIAERO C[C@@H]([NH2+][C@@H]1C=CCCCCC1)c1cccs1 ZINC000309136638 533514673 /nfs/dbraw/zinc/51/46/73/533514673.db2.gz LIGHYJQVNKHHDC-CHWSQXEVSA-N 1 0 235.396 4.288 10 0 BIAERO C[C@@H]([NH2+][C@H]1C=CCCCCC1)c1cccs1 ZINC000309136640 385103827 /nfs/dbraw/zinc/10/38/27/385103827.db2.gz LIGHYJQVNKHHDC-OLZOCXBDSA-N 1 0 235.396 4.288 10 0 BIAERO C[C@H]([NH2+][C@@H]1C=CCCCCC1)c1cccs1 ZINC000309136642 385102452 /nfs/dbraw/zinc/10/24/52/385102452.db2.gz LIGHYJQVNKHHDC-QWHCGFSZSA-N 1 0 235.396 4.288 10 0 BIAERO C[C@H]([NH2+][C@H]1C=CCCCCC1)c1cccs1 ZINC000309136644 229563794 /nfs/dbraw/zinc/56/37/94/229563794.db2.gz LIGHYJQVNKHHDC-STQMWFEESA-N 1 0 235.396 4.288 10 0 BIAERO CC(C)(C)Sc1ccccc1[C@H]1CCC[NH2+]1 ZINC000309156621 342897996 /nfs/dbraw/zinc/89/79/96/342897996.db2.gz RPTDELNXXRAWJW-GFCCVEGCSA-N 1 0 235.396 4.002 10 0 BIAERO C[C@@H]([NH2+]Cc1ccsc1Cl)C1CCCC1 ZINC000309157935 385128009 /nfs/dbraw/zinc/12/80/09/385128009.db2.gz XWBIKWRYWRJCRL-SECBINFHSA-N 1 0 243.803 4.070 10 0 BIAERO C[C@H]([NH2+]Cc1ccsc1Cl)C1CCCC1 ZINC000309157940 385129507 /nfs/dbraw/zinc/12/95/07/385129507.db2.gz XWBIKWRYWRJCRL-VIFPVBQESA-N 1 0 243.803 4.070 10 0 BIAERO CC/C=C/CC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000309176641 322898707 /nfs/dbraw/zinc/89/87/07/322898707.db2.gz MXYFCPHUACJWPR-ORAHPGNNSA-N 1 0 243.803 4.408 10 0 BIAERO CC/C=C\CC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000309176643 322898692 /nfs/dbraw/zinc/89/86/92/322898692.db2.gz MXYFCPHUACJWPR-UMCURTJPSA-N 1 0 243.803 4.408 10 0 BIAERO CCC1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC000309208665 385202549 /nfs/dbraw/zinc/20/25/49/385202549.db2.gz NECJREMEHZQZEH-UHFFFAOYSA-N 1 0 237.412 4.115 10 0 BIAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000309229581 529338015 /nfs/dbraw/zinc/33/80/15/529338015.db2.gz WLJFJXUJTLLXRE-AEJSXWLSSA-N 1 0 243.803 4.241 10 0 BIAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000309229582 385268913 /nfs/dbraw/zinc/26/89/13/385268913.db2.gz WLJFJXUJTLLXRE-BBBLOLIVSA-N 1 0 243.803 4.241 10 0 BIAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000309229584 529344051 /nfs/dbraw/zinc/34/40/51/529344051.db2.gz WLJFJXUJTLLXRE-IVZWLZJFSA-N 1 0 243.803 4.241 10 0 BIAERO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000309229586 385269459 /nfs/dbraw/zinc/26/94/59/385269459.db2.gz WLJFJXUJTLLXRE-OPRDCNLKSA-N 1 0 243.803 4.241 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000309259505 229567550 /nfs/dbraw/zinc/56/75/50/229567550.db2.gz AZVILAVASXHIBH-AYGWYOGXSA-N 1 0 237.774 4.035 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1cccc(Cl)c1 ZINC000309259507 385287482 /nfs/dbraw/zinc/28/74/82/385287482.db2.gz AZVILAVASXHIBH-BBGACYKPSA-N 1 0 237.774 4.035 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1cccc(Cl)c1 ZINC000309259509 385287171 /nfs/dbraw/zinc/28/71/71/385287171.db2.gz AZVILAVASXHIBH-NJBDSQKTSA-N 1 0 237.774 4.035 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000309259514 385286947 /nfs/dbraw/zinc/28/69/47/385286947.db2.gz AZVILAVASXHIBH-YAMSLAJTSA-N 1 0 237.774 4.035 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1F ZINC000309352538 343322477 /nfs/dbraw/zinc/32/24/77/343322477.db2.gz NESLPIDTHUQUQN-UWVGGRQHSA-N 1 0 243.753 4.174 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1F ZINC000309352539 343322476 /nfs/dbraw/zinc/32/24/76/343322476.db2.gz NESLPIDTHUQUQN-ZJUUUORDSA-N 1 0 243.753 4.174 10 0 BIAERO CC(C)[C@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000309394727 383934622 /nfs/dbraw/zinc/93/46/22/383934622.db2.gz VBXUPINIUYAYKV-NEPJUHHUSA-N 1 0 239.790 4.078 10 0 BIAERO CC(C)[C@@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000309394746 383935701 /nfs/dbraw/zinc/93/57/01/383935701.db2.gz VBXUPINIUYAYKV-NWDGAFQWSA-N 1 0 239.790 4.078 10 0 BIAERO CC(C)[C@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000309394749 383935795 /nfs/dbraw/zinc/93/57/95/383935795.db2.gz VBXUPINIUYAYKV-RYUDHWBXSA-N 1 0 239.790 4.078 10 0 BIAERO CC(C)[C@@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000309394751 383935733 /nfs/dbraw/zinc/93/57/33/383935733.db2.gz VBXUPINIUYAYKV-VXGBXAGGSA-N 1 0 239.790 4.078 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccc(Cl)cc1 ZINC000309404582 383978647 /nfs/dbraw/zinc/97/86/47/383978647.db2.gz VTCKHMQRUJGXLM-NJBDSQKTSA-N 1 0 237.774 4.035 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000309404586 383978400 /nfs/dbraw/zinc/97/84/00/383978400.db2.gz VTCKHMQRUJGXLM-YAMSLAJTSA-N 1 0 237.774 4.035 10 0 BIAERO CC[C@@H]([NH2+]CCCCCCSC)C(C)(C)C ZINC000309457108 633089200 /nfs/dbraw/zinc/08/92/00/633089200.db2.gz MTMAVDBBXMERAG-CYBMUJFWSA-N 1 0 245.476 4.324 10 0 BIAERO CC[C@H]([NH2+]CCCCCCSC)C(C)(C)C ZINC000309457110 633921577 /nfs/dbraw/zinc/92/15/77/633921577.db2.gz MTMAVDBBXMERAG-ZDUSSCGKSA-N 1 0 245.476 4.324 10 0 BIAERO CC(C)(C)Sc1ccccc1[C@@H]1CCC[NH2+]1 ZINC000309562833 347104824 /nfs/dbraw/zinc/10/48/24/347104824.db2.gz RPTDELNXXRAWJW-LBPRGKRZSA-N 1 0 235.396 4.002 10 0 BIAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1F ZINC000309680713 388460498 /nfs/dbraw/zinc/46/04/98/388460498.db2.gz NESLPIDTHUQUQN-NXEZZACHSA-N 1 0 243.753 4.174 10 0 BIAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1F ZINC000309680717 388460277 /nfs/dbraw/zinc/46/02/77/388460277.db2.gz NESLPIDTHUQUQN-VHSXEESVSA-N 1 0 243.753 4.174 10 0 BIAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCCCSC ZINC000310005009 388472035 /nfs/dbraw/zinc/47/20/35/388472035.db2.gz GEWBWXYUYXEZSO-KBPBESRZSA-N 1 0 243.460 4.078 10 0 BIAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCCCSC ZINC000310005010 388471875 /nfs/dbraw/zinc/47/18/75/388471875.db2.gz GEWBWXYUYXEZSO-KGLIPLIRSA-N 1 0 243.460 4.078 10 0 BIAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCCCSC ZINC000310005011 528383429 /nfs/dbraw/zinc/38/34/29/528383429.db2.gz GEWBWXYUYXEZSO-UONOGXRCSA-N 1 0 243.460 4.078 10 0 BIAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCCCSC ZINC000310005012 388472016 /nfs/dbraw/zinc/47/20/16/388472016.db2.gz GEWBWXYUYXEZSO-ZIAGYGMSSA-N 1 0 243.460 4.078 10 0 BIAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000310006153 529344198 /nfs/dbraw/zinc/34/41/98/529344198.db2.gz GSAIYWXGQFRSPO-MISXGVKJSA-N 1 0 237.774 4.179 10 0 BIAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000310006154 388473063 /nfs/dbraw/zinc/47/30/63/388473063.db2.gz GSAIYWXGQFRSPO-WDMOLILDSA-N 1 0 237.774 4.179 10 0 BIAERO CC[C@@H]([NH2+]CCc1sccc1C)C(C)(C)C ZINC000310040584 388474857 /nfs/dbraw/zinc/47/48/57/388474857.db2.gz XUGLALNJMSRZOV-CYBMUJFWSA-N 1 0 239.428 4.013 10 0 BIAERO CC[C@H]([NH2+]CCc1sccc1C)C(C)(C)C ZINC000310040587 529609741 /nfs/dbraw/zinc/60/97/41/529609741.db2.gz XUGLALNJMSRZOV-ZDUSSCGKSA-N 1 0 239.428 4.013 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H]2C=CCCCCC2)o1 ZINC000310076456 388475560 /nfs/dbraw/zinc/47/55/60/388475560.db2.gz UXJDGYIOLYPWGH-KBPBESRZSA-N 1 0 233.355 4.128 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@H]2C=CCCCCC2)o1 ZINC000310076457 388475520 /nfs/dbraw/zinc/47/55/20/388475520.db2.gz UXJDGYIOLYPWGH-KGLIPLIRSA-N 1 0 233.355 4.128 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C=CCCCCC2)o1 ZINC000310076459 388475770 /nfs/dbraw/zinc/47/57/70/388475770.db2.gz UXJDGYIOLYPWGH-UONOGXRCSA-N 1 0 233.355 4.128 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2C=CCCCCC2)o1 ZINC000310076461 388475305 /nfs/dbraw/zinc/47/53/05/388475305.db2.gz UXJDGYIOLYPWGH-ZIAGYGMSSA-N 1 0 233.355 4.128 10 0 BIAERO Cc1sccc1C[NH2+][C@H](C)c1ccccc1C ZINC000310295447 388479629 /nfs/dbraw/zinc/47/96/29/388479629.db2.gz SKZXHCWJDPBNAA-GFCCVEGCSA-N 1 0 245.391 4.216 10 0 BIAERO Cc1sccc1C[NH2+][C@@H](C)c1ccccc1C ZINC000310295450 388480045 /nfs/dbraw/zinc/48/00/45/388480045.db2.gz SKZXHCWJDPBNAA-LBPRGKRZSA-N 1 0 245.391 4.216 10 0 BIAERO Cc1sccc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000310390956 388481533 /nfs/dbraw/zinc/48/15/33/388481533.db2.gz KZGNSIMYPHWVRG-LBPRGKRZSA-N 1 0 245.391 4.216 10 0 BIAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCCCF ZINC000310747103 388487843 /nfs/dbraw/zinc/48/78/43/388487843.db2.gz JCHJEYNEVBGWOE-HNNXBMFYSA-N 1 0 249.373 4.039 10 0 BIAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCCCF ZINC000310747105 388488183 /nfs/dbraw/zinc/48/81/83/388488183.db2.gz JCHJEYNEVBGWOE-OAHLLOKOSA-N 1 0 249.373 4.039 10 0 BIAERO CCC[C@H]([NH2+][C@@H](C)C(C)C)c1ccsc1 ZINC000336725320 169512980 /nfs/dbraw/zinc/51/29/80/169512980.db2.gz GECXBNCPFQGLMH-AAEUAGOBSA-N 1 0 225.401 4.223 10 0 BIAERO CCC[C@@H]([NH2+][C@H](C)C(C)C)c1ccsc1 ZINC000336725321 388470034 /nfs/dbraw/zinc/47/00/34/388470034.db2.gz GECXBNCPFQGLMH-DGCLKSJQSA-N 1 0 225.401 4.223 10 0 BIAERO CCC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccsc1 ZINC000336725322 169402475 /nfs/dbraw/zinc/40/24/75/169402475.db2.gz GECXBNCPFQGLMH-WCQYABFASA-N 1 0 225.401 4.223 10 0 BIAERO CCC[C@H]([NH2+][C@H](C)C(C)C)c1ccsc1 ZINC000336725323 385839169 /nfs/dbraw/zinc/83/91/69/385839169.db2.gz GECXBNCPFQGLMH-YPMHNXCESA-N 1 0 225.401 4.223 10 0 BIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000379199539 356430211 /nfs/dbraw/zinc/43/02/11/356430211.db2.gz XYQMCMDVHMSICW-AGIUHOORSA-N 1 0 247.373 4.082 10 0 BIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC(C)(F)F ZINC000379199558 356430443 /nfs/dbraw/zinc/43/04/43/356430443.db2.gz XYQMCMDVHMSICW-FRRDWIJNSA-N 1 0 247.373 4.082 10 0 BIAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC(C)(F)F ZINC000379199560 356430304 /nfs/dbraw/zinc/43/03/04/356430304.db2.gz XYQMCMDVHMSICW-JHJVBQTASA-N 1 0 247.373 4.082 10 0 BIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000379199562 356430029 /nfs/dbraw/zinc/43/00/29/356430029.db2.gz XYQMCMDVHMSICW-UPJWGTAASA-N 1 0 247.373 4.082 10 0 BIAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000379431736 358484098 /nfs/dbraw/zinc/48/40/98/358484098.db2.gz FKVVPDNCCUGYFJ-GYSYKLTISA-N 1 0 237.774 4.179 10 0 BIAERO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000379431738 358484210 /nfs/dbraw/zinc/48/42/10/358484210.db2.gz FKVVPDNCCUGYFJ-JTNHKYCSSA-N 1 0 237.774 4.179 10 0 BIAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000379431740 358483766 /nfs/dbraw/zinc/48/37/66/358483766.db2.gz FKVVPDNCCUGYFJ-MISXGVKJSA-N 1 0 237.774 4.179 10 0 BIAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000379431741 358483874 /nfs/dbraw/zinc/48/38/74/358483874.db2.gz FKVVPDNCCUGYFJ-WDMOLILDSA-N 1 0 237.774 4.179 10 0 BIAERO CC/C=C\CC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000380001302 365792120 /nfs/dbraw/zinc/79/21/20/365792120.db2.gz MXYFCPHUACJWPR-LWTINBJPSA-N 1 0 243.803 4.408 10 0 BIAERO CC/C=C/CC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000380001305 365792065 /nfs/dbraw/zinc/79/20/65/365792065.db2.gz MXYFCPHUACJWPR-YEZKRMTDSA-N 1 0 243.803 4.408 10 0 BIAERO CC(C)[C@H]([NH2+]C1CCC1)c1ccccc1Cl ZINC000381278655 367373632 /nfs/dbraw/zinc/37/36/32/367373632.db2.gz XOCOFAJHLUYDPU-AWEZNQCLSA-N 1 0 237.774 4.179 10 0 BIAERO CC(C)[C@@H]([NH2+]C1CCC1)c1ccccc1Cl ZINC000381278660 367373680 /nfs/dbraw/zinc/37/36/80/367373680.db2.gz XOCOFAJHLUYDPU-CQSZACIVSA-N 1 0 237.774 4.179 10 0 BIAERO CC/C=C\CC[NH2+][C@H](C)c1ccccc1C ZINC000381312106 345292028 /nfs/dbraw/zinc/29/20/28/345292028.db2.gz AMEMPOSQTNLUBV-GEXIGZQTSA-N 1 0 217.356 4.002 10 0 BIAERO CC/C=C/CC[NH2+][C@@H](C)c1ccccc1C ZINC000381312107 345291792 /nfs/dbraw/zinc/29/17/92/345291792.db2.gz AMEMPOSQTNLUBV-GJBLVYBDSA-N 1 0 217.356 4.002 10 0 BIAERO CC/C=C\CC[NH2+][C@@H](C)c1ccccc1C ZINC000381312108 345291761 /nfs/dbraw/zinc/29/17/61/345291761.db2.gz AMEMPOSQTNLUBV-GXMNPTEKSA-N 1 0 217.356 4.002 10 0 BIAERO CC/C=C/CC[NH2+][C@H](C)c1ccccc1C ZINC000381312109 345292107 /nfs/dbraw/zinc/29/21/07/345292107.db2.gz AMEMPOSQTNLUBV-VBROQKIQSA-N 1 0 217.356 4.002 10 0 BIAERO CC[C@@H]([NH2+]CCCc1cccs1)C(C)(C)C ZINC000381394758 345797180 /nfs/dbraw/zinc/79/71/80/345797180.db2.gz PELULPWNMKIRGS-CYBMUJFWSA-N 1 0 239.428 4.095 10 0 BIAERO CC[C@H]([NH2+]CCCc1cccs1)C(C)(C)C ZINC000381394760 345797365 /nfs/dbraw/zinc/79/73/65/345797365.db2.gz PELULPWNMKIRGS-ZDUSSCGKSA-N 1 0 239.428 4.095 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1Cl ZINC000381437418 345893236 /nfs/dbraw/zinc/89/32/36/345893236.db2.gz YGYBLCZJVFEMEP-AYGWYOGXSA-N 1 0 237.774 4.035 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccccc1Cl ZINC000381437422 345892615 /nfs/dbraw/zinc/89/26/15/345892615.db2.gz YGYBLCZJVFEMEP-BBGACYKPSA-N 1 0 237.774 4.035 10 0 BIAERO CCC(CC)(CC)[NH2+]C[C@H]1CCCCC1(F)F ZINC000381489491 346039886 /nfs/dbraw/zinc/03/98/86/346039886.db2.gz GZWIQSGIVYZSQI-GFCCVEGCSA-N 1 0 247.373 4.370 10 0 BIAERO CCC(CC)(CC)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381489494 346040117 /nfs/dbraw/zinc/04/01/17/346040117.db2.gz GZWIQSGIVYZSQI-LBPRGKRZSA-N 1 0 247.373 4.370 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)c1csc(C)c1)C(C)C ZINC000381586044 367433260 /nfs/dbraw/zinc/43/32/60/367433260.db2.gz KOCMESBCSNQXIW-AAEUAGOBSA-N 1 0 225.401 4.142 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)c1csc(C)c1)C(C)C ZINC000381586045 367433242 /nfs/dbraw/zinc/43/32/42/367433242.db2.gz KOCMESBCSNQXIW-DGCLKSJQSA-N 1 0 225.401 4.142 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)c1csc(C)c1)C(C)C ZINC000381586046 367433237 /nfs/dbraw/zinc/43/32/37/367433237.db2.gz KOCMESBCSNQXIW-WCQYABFASA-N 1 0 225.401 4.142 10 0 BIAERO CC[C@H]([NH2+][C@H](C)c1csc(C)c1)C(C)C ZINC000381586047 346390527 /nfs/dbraw/zinc/39/05/27/346390527.db2.gz KOCMESBCSNQXIW-YPMHNXCESA-N 1 0 225.401 4.142 10 0 BIAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)C(C)(C)C ZINC000381745908 367454545 /nfs/dbraw/zinc/45/45/45/367454545.db2.gz PZUCJURZHMXKAE-AGIUHOORSA-N 1 0 243.460 4.075 10 0 BIAERO CC[C@H]([NH2+][C@H]1CCC[C@H](SC)C1)C(C)(C)C ZINC000381746018 367454084 /nfs/dbraw/zinc/45/40/84/367454084.db2.gz PZUCJURZHMXKAE-AVGNSLFASA-N 1 0 243.460 4.075 10 0 BIAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](SC)C1)C(C)(C)C ZINC000381746021 346798460 /nfs/dbraw/zinc/79/84/60/346798460.db2.gz PZUCJURZHMXKAE-UPJWGTAASA-N 1 0 243.460 4.075 10 0 BIAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](SC)C1)C(C)(C)C ZINC000381746037 367454562 /nfs/dbraw/zinc/45/45/62/367454562.db2.gz PZUCJURZHMXKAE-XQQFMLRXSA-N 1 0 243.460 4.075 10 0 BIAERO CC[C@@H]([NH2+][C@H](CC)C(C)C)c1ccsc1 ZINC000382061306 367482868 /nfs/dbraw/zinc/48/28/68/367482868.db2.gz ARGNUACLGRDOHX-CHWSQXEVSA-N 1 0 225.401 4.223 10 0 BIAERO CC[C@@H]([NH2+][C@@H](CC)c1ccsc1)C(C)C ZINC000382061308 367482892 /nfs/dbraw/zinc/48/28/92/367482892.db2.gz ARGNUACLGRDOHX-OLZOCXBDSA-N 1 0 225.401 4.223 10 0 BIAERO CC[C@@H]([NH2+][C@@H](CC)C(C)C)c1ccsc1 ZINC000382061312 367483077 /nfs/dbraw/zinc/48/30/77/367483077.db2.gz ARGNUACLGRDOHX-QWHCGFSZSA-N 1 0 225.401 4.223 10 0 BIAERO CC[C@H]([NH2+][C@@H](CC)C(C)C)c1ccsc1 ZINC000382061314 367482626 /nfs/dbraw/zinc/48/26/26/367482626.db2.gz ARGNUACLGRDOHX-STQMWFEESA-N 1 0 225.401 4.223 10 0 BIAERO CC(F)(F)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000383226967 348014916 /nfs/dbraw/zinc/01/49/16/348014916.db2.gz OJJQPMZXZHMSNB-NEPJUHHUSA-N 1 0 247.373 4.226 10 0 BIAERO CC(F)(F)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000383226968 348014772 /nfs/dbraw/zinc/01/47/72/348014772.db2.gz OJJQPMZXZHMSNB-NWDGAFQWSA-N 1 0 247.373 4.226 10 0 BIAERO CC(F)(F)CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000383226969 348014922 /nfs/dbraw/zinc/01/49/22/348014922.db2.gz OJJQPMZXZHMSNB-RYUDHWBXSA-N 1 0 247.373 4.226 10 0 BIAERO CC(F)(F)CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000383226970 348014879 /nfs/dbraw/zinc/01/48/79/348014879.db2.gz OJJQPMZXZHMSNB-VXGBXAGGSA-N 1 0 247.373 4.226 10 0 BIAERO Cc1sccc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000383975206 367665087 /nfs/dbraw/zinc/66/50/87/367665087.db2.gz KZGNSIMYPHWVRG-GFCCVEGCSA-N 1 0 245.391 4.216 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000390370781 259387131 /nfs/dbraw/zinc/38/71/31/259387131.db2.gz VTCKHMQRUJGXLM-AYGWYOGXSA-N 1 0 237.774 4.035 10 0 BIAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccc(Cl)cc1 ZINC000390370782 259387129 /nfs/dbraw/zinc/38/71/29/259387129.db2.gz VTCKHMQRUJGXLM-BBGACYKPSA-N 1 0 237.774 4.035 10 0 BIAERO CCC(CC)(CC)[C@@H]1[NH2+]CCc2sccc21 ZINC000397150995 583097667 /nfs/dbraw/zinc/09/76/67/583097667.db2.gz JAGRLVPUGGCILH-CYBMUJFWSA-N 1 0 237.412 4.151 10 0 BIAERO CCC(CC)(CC)[C@H]1[NH2+]CCc2sccc21 ZINC000397150996 583098004 /nfs/dbraw/zinc/09/80/04/583098004.db2.gz JAGRLVPUGGCILH-ZDUSSCGKSA-N 1 0 237.412 4.151 10 0 BIAERO CCCCCCC[C@H]1[NH2+]CCc2sccc21 ZINC000397209080 583099101 /nfs/dbraw/zinc/09/91/01/583099101.db2.gz CZMXGAHIMZZXKN-CYBMUJFWSA-N 1 0 237.412 4.295 10 0 BIAERO CCCCCCC[C@@H]1[NH2+]CCc2sccc21 ZINC000397209082 583099182 /nfs/dbraw/zinc/09/91/82/583099182.db2.gz CZMXGAHIMZZXKN-ZDUSSCGKSA-N 1 0 237.412 4.295 10 0 BIAERO CCCCCC[C@]1(C)[NH2+]CCc2sccc21 ZINC000397220744 583098863 /nfs/dbraw/zinc/09/88/63/583098863.db2.gz JMWVVXTXOBGYFU-AWEZNQCLSA-N 1 0 237.412 4.079 10 0 BIAERO CCCCCC[C@@]1(C)[NH2+]CCc2sccc21 ZINC000397220745 583099056 /nfs/dbraw/zinc/09/90/56/583099056.db2.gz JMWVVXTXOBGYFU-CQSZACIVSA-N 1 0 237.412 4.079 10 0 BIAERO CC(C)=CCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000397735002 488142091 /nfs/dbraw/zinc/14/20/91/488142091.db2.gz HJXUBQAYBGJOBC-NWDGAFQWSA-N 1 0 249.320 4.053 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC2CCCC2)o1 ZINC000468386393 225024747 /nfs/dbraw/zinc/02/47/47/225024747.db2.gz ZDNQPIVBLKSMNP-AAEUAGOBSA-N 1 0 235.371 4.207 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC2CCCC2)o1 ZINC000468386395 225024828 /nfs/dbraw/zinc/02/48/28/225024828.db2.gz ZDNQPIVBLKSMNP-DGCLKSJQSA-N 1 0 235.371 4.207 10 0 BIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC2CCCC2)o1 ZINC000468386396 225024321 /nfs/dbraw/zinc/02/43/21/225024321.db2.gz ZDNQPIVBLKSMNP-WCQYABFASA-N 1 0 235.371 4.207 10 0 BIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)CC2CCCC2)o1 ZINC000468386398 225024521 /nfs/dbraw/zinc/02/45/21/225024521.db2.gz ZDNQPIVBLKSMNP-YPMHNXCESA-N 1 0 235.371 4.207 10 0 BIAERO CC[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000474039804 529649663 /nfs/dbraw/zinc/64/96/63/529649663.db2.gz ZDHDOKXRNZNMMO-AAEUAGOBSA-N 1 0 247.373 4.225 10 0 BIAERO CC[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000474039806 529204857 /nfs/dbraw/zinc/20/48/57/529204857.db2.gz ZDHDOKXRNZNMMO-DGCLKSJQSA-N 1 0 247.373 4.225 10 0 BIAERO CC[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000474039808 529199094 /nfs/dbraw/zinc/19/90/94/529199094.db2.gz ZDHDOKXRNZNMMO-WCQYABFASA-N 1 0 247.373 4.225 10 0 BIAERO CC[C@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000474039811 529664103 /nfs/dbraw/zinc/66/41/03/529664103.db2.gz ZDHDOKXRNZNMMO-YPMHNXCESA-N 1 0 247.373 4.225 10 0 BIAERO CCCCC1=C(CC[NH+](C)C)Cc2ccccc21 ZINC000504029431 528093956 /nfs/dbraw/zinc/09/39/56/528093956.db2.gz QRBCJHCPOPCDIE-UHFFFAOYSA-N 1 0 243.394 4.138 10 0 BIAERO CCCCC[C@@H]([NH3+])c1cccc(C(C)C)c1 ZINC000575439115 387121506 /nfs/dbraw/zinc/12/15/06/387121506.db2.gz PVHQWSGDMFEQLD-OAHLLOKOSA-N 1 0 219.372 4.390 10 0 BIAERO CCCCC[C@H]([NH3+])c1cccc(C(C)C)c1 ZINC000575439203 388626550 /nfs/dbraw/zinc/62/65/50/388626550.db2.gz PVHQWSGDMFEQLD-HNNXBMFYSA-N 1 0 219.372 4.390 10 0 BIAERO CC(C)(C)[Si](C)(C)Cc1c[nH+]cc2cc[nH]c21 ZINC000575440298 387127376 /nfs/dbraw/zinc/12/73/76/387127376.db2.gz GLEZXWGTHUMCNB-UHFFFAOYSA-N 1 0 246.430 4.153 10 0 BIAERO CCC[C@](CCOCC)(C(C)=[NH2+])c1ccccc1 ZINC000584594939 358252110 /nfs/dbraw/zinc/25/21/10/358252110.db2.gz KHRCLEFJBJQDRS-INIZCTEOSA-N 1 0 247.382 4.191 10 0 BIAERO CCC[C@@](CCOCC)(C(C)=[NH2+])c1ccccc1 ZINC000584594941 358252138 /nfs/dbraw/zinc/25/21/38/358252138.db2.gz KHRCLEFJBJQDRS-MRXNPFEDSA-N 1 0 247.382 4.191 10 0 BIAERO CCC[NH+](CCC)C[C@H]1Cc2ccccc2[C@@H]1C ZINC000584618716 358284765 /nfs/dbraw/zinc/28/47/65/358284765.db2.gz SEPWBHMIWPVEBN-GDBMZVCRSA-N 1 0 245.410 4.084 10 0 BIAERO CCC[NH+](CCC)C[C@H]1Cc2ccccc2[C@H]1C ZINC000584618717 358284941 /nfs/dbraw/zinc/28/49/41/358284941.db2.gz SEPWBHMIWPVEBN-GOEBONIOSA-N 1 0 245.410 4.084 10 0 BIAERO CCC[NH+](CCC)C[C@@H]1Cc2ccccc2[C@H]1C ZINC000584618718 358284981 /nfs/dbraw/zinc/28/49/81/358284981.db2.gz SEPWBHMIWPVEBN-HOCLYGCPSA-N 1 0 245.410 4.084 10 0 BIAERO CCC[NH+](CCC)C[C@@H]1Cc2ccccc2[C@@H]1C ZINC000584618719 358284841 /nfs/dbraw/zinc/28/48/41/358284841.db2.gz SEPWBHMIWPVEBN-ZBFHGGJFSA-N 1 0 245.410 4.084 10 0 BIAERO CCCCCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000584624997 358293673 /nfs/dbraw/zinc/29/36/73/358293673.db2.gz YQVJBZXAMFZTIR-UHFFFAOYSA-N 1 0 223.404 4.223 10 0 BIAERO CC1=[NH+][C@@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000584625303 358294233 /nfs/dbraw/zinc/29/42/33/358294233.db2.gz JYWMTTWGVFCFFP-AWEZNQCLSA-N 1 0 249.357 4.226 10 0 BIAERO CC1=[NH+][C@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000584625311 358294020 /nfs/dbraw/zinc/29/40/20/358294020.db2.gz JYWMTTWGVFCFFP-CQSZACIVSA-N 1 0 249.357 4.226 10 0 BIAERO C1CCC(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000584631040 358255769 /nfs/dbraw/zinc/25/57/69/358255769.db2.gz MRTQNQZKALHLSW-UHFFFAOYSA-N 1 0 235.415 4.127 10 0 BIAERO C1CCC([NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000584631239 358282683 /nfs/dbraw/zinc/28/26/83/358282683.db2.gz ZKGVJJGNYYVREM-UHFFFAOYSA-N 1 0 235.415 4.365 10 0 BIAERO [NH2+]=c1cc(-c2ccccc2)sc2ccccc12 ZINC000584636404 358321203 /nfs/dbraw/zinc/32/12/03/358321203.db2.gz YUYNVNQPQJJISA-UHFFFAOYSA-N 1 0 237.327 4.048 10 0 BIAERO C/C=C/c1cccc([C@@H]2CCC[N@@H+](CCC)C2)c1 ZINC000584650975 358305568 /nfs/dbraw/zinc/30/55/68/358305568.db2.gz YXCKRYAAFHYDIW-OPQSBORISA-N 1 0 243.394 4.309 10 0 BIAERO CCC1=C(CC)[C@H](Cc2ccccc2)[N@H+](C)CC1 ZINC000584652137 358307156 /nfs/dbraw/zinc/30/71/56/358307156.db2.gz JTBWCZIBFHRSGF-KRWDZBQOSA-N 1 0 243.394 4.050 10 0 BIAERO CCC1=C(CC)[C@@H](Cc2ccccc2)[N@H+](C)CC1 ZINC000584652138 358307152 /nfs/dbraw/zinc/30/71/52/358307152.db2.gz JTBWCZIBFHRSGF-QGZVFWFLSA-N 1 0 243.394 4.050 10 0 BIAERO CC(C)=C1CC(C)(C)[NH+]=C1Cc1ccccc1 ZINC000584655201 358308371 /nfs/dbraw/zinc/30/83/71/358308371.db2.gz DYKORVNXWIIZGD-UHFFFAOYSA-N 1 0 227.351 4.189 10 0 BIAERO [NH3+]CCCCCc1ccccc1-c1ccccc1 ZINC000584660760 358121438 /nfs/dbraw/zinc/12/14/38/358121438.db2.gz BXJXGJLXTZZTCA-UHFFFAOYSA-N 1 0 239.362 4.025 10 0 BIAERO C[C@@H]1Cc2ccsc2C2(CCC(C)(C)CC2)[NH2+]1 ZINC000584883848 343086857 /nfs/dbraw/zinc/08/68/57/343086857.db2.gz RJFKECGTSAEBAP-LLVKDONJSA-N 1 0 249.423 4.078 10 0 BIAERO C[C@H]1Cc2ccsc2C2(CCC(C)(C)CC2)[NH2+]1 ZINC000584883849 343086959 /nfs/dbraw/zinc/08/69/59/343086959.db2.gz RJFKECGTSAEBAP-NSHDSACASA-N 1 0 249.423 4.078 10 0 BIAERO CCC1CCC2(CC1)[NH2+][C@@H](C)Cc1ccsc12 ZINC000584883905 343087550 /nfs/dbraw/zinc/08/75/50/343087550.db2.gz WTCJBRILSCLVJZ-BZUNDVKYSA-N 1 0 249.423 4.078 10 0 BIAERO CCC1CCC2(CC1)[NH2+][C@H](C)Cc1ccsc12 ZINC000584883906 343087376 /nfs/dbraw/zinc/08/73/76/343087376.db2.gz WTCJBRILSCLVJZ-XIKARTHZSA-N 1 0 249.423 4.078 10 0 BIAERO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1C(C)(C)C ZINC000616583219 349307252 /nfs/dbraw/zinc/30/72/52/349307252.db2.gz AXFXBIQGLSULEL-OAHLLOKOSA-N 1 0 231.383 4.040 10 0 BIAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1C(C)(C)C ZINC000616583496 349314666 /nfs/dbraw/zinc/31/46/66/349314666.db2.gz DGIWNNRZACRNFR-HNNXBMFYSA-N 1 0 231.383 4.040 10 0 BIAERO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1C(C)(C)C ZINC000616585943 349374533 /nfs/dbraw/zinc/37/45/33/349374533.db2.gz DGIWNNRZACRNFR-OAHLLOKOSA-N 1 0 231.383 4.040 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cccc(F)c2)CC1 ZINC000616600346 350779043 /nfs/dbraw/zinc/77/90/43/350779043.db2.gz CLKFGOBCXYCAIZ-CYBMUJFWSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000616601017 350781830 /nfs/dbraw/zinc/78/18/30/350781830.db2.gz JSIWMIBLCVSPEU-CYBMUJFWSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000616601122 350781200 /nfs/dbraw/zinc/78/12/00/350781200.db2.gz JSIWMIBLCVSPEU-ZDUSSCGKSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616602489 350791764 /nfs/dbraw/zinc/79/17/64/350791764.db2.gz OENKIZXLCVTBBJ-MRXNPFEDSA-N 1 0 245.410 4.335 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2ccccc2F)C1 ZINC000616603192 350789333 /nfs/dbraw/zinc/78/93/33/350789333.db2.gz CDXKQGAUVCJERI-ZDUSSCGKSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000616603215 350789086 /nfs/dbraw/zinc/78/90/86/350789086.db2.gz CZGXKNVGBNBJHW-AWEZNQCLSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2ccccc2F)C1 ZINC000616604249 350792549 /nfs/dbraw/zinc/79/25/49/350792549.db2.gz CDXKQGAUVCJERI-CYBMUJFWSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000616604389 350793305 /nfs/dbraw/zinc/79/33/05/350793305.db2.gz CZGXKNVGBNBJHW-CQSZACIVSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616604395 350793387 /nfs/dbraw/zinc/79/33/87/350793387.db2.gz NEJOLHUSADZLOQ-AWEZNQCLSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000616606858 350799532 /nfs/dbraw/zinc/79/95/32/350799532.db2.gz JMZUVUDSSXTOCJ-CYBMUJFWSA-N 1 0 237.774 4.275 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000616606958 350798892 /nfs/dbraw/zinc/79/88/92/350798892.db2.gz NFGHFNFHONITDH-CYBMUJFWSA-N 1 0 237.774 4.275 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000616607288 350800109 /nfs/dbraw/zinc/80/01/09/350800109.db2.gz REFOOOILDSZUEV-CYBMUJFWSA-N 1 0 237.774 4.275 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000616607508 350801442 /nfs/dbraw/zinc/80/14/42/350801442.db2.gz JMZUVUDSSXTOCJ-ZDUSSCGKSA-N 1 0 237.774 4.275 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000616608183 350798271 /nfs/dbraw/zinc/79/82/71/350798271.db2.gz NFGHFNFHONITDH-ZDUSSCGKSA-N 1 0 237.774 4.275 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000616608289 350804416 /nfs/dbraw/zinc/80/44/16/350804416.db2.gz REFOOOILDSZUEV-ZDUSSCGKSA-N 1 0 237.774 4.275 10 0 BIAERO CC(C)(C)[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616609508 350803027 /nfs/dbraw/zinc/80/30/27/350803027.db2.gz YXZYRYSMJCXRSA-INIZCTEOSA-N 1 0 245.410 4.477 10 0 BIAERO COc1cccc([C@H]2CCCC[N@@H+]2C(C)(C)C)c1 ZINC000616613831 350067952 /nfs/dbraw/zinc/06/79/52/350067952.db2.gz BZMURSWYYKLWGB-OAHLLOKOSA-N 1 0 247.382 4.021 10 0 BIAERO CNc1ccc([C@H]2CCCC[N@@H+]2C(C)(C)C)cc1 ZINC000616613920 350815470 /nfs/dbraw/zinc/81/54/70/350815470.db2.gz DZJSSTWIRNXVMQ-OAHLLOKOSA-N 1 0 246.398 4.054 10 0 BIAERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccccc1Cl ZINC000616613926 350815945 /nfs/dbraw/zinc/81/59/45/350815945.db2.gz FIDNDTQWTVFALQ-CQSZACIVSA-N 1 0 237.774 4.275 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000616613928 398162870 /nfs/dbraw/zinc/16/28/70/398162870.db2.gz FKAGYRXKGRBUOT-CQSZACIVSA-N 1 0 235.346 4.151 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC000616614263 350830207 /nfs/dbraw/zinc/83/02/07/350830207.db2.gz NHVQUKLHVDDFBB-CQSZACIVSA-N 1 0 235.346 4.151 10 0 BIAERO CNc1cccc([C@H]2CCCC[N@@H+]2C(C)(C)C)c1 ZINC000616614473 350832772 /nfs/dbraw/zinc/83/27/72/350832772.db2.gz PXIKKKVGKKJJOH-OAHLLOKOSA-N 1 0 246.398 4.054 10 0 BIAERO COc1ccccc1[C@H]1CCCC[N@@H+]1C(C)(C)C ZINC000616614479 350834105 /nfs/dbraw/zinc/83/41/05/350834105.db2.gz QMQHXJTZIYQPSB-CQSZACIVSA-N 1 0 247.382 4.021 10 0 BIAERO CNc1ccccc1[C@H]1CCCC[N@@H+]1C(C)(C)C ZINC000616614481 350833666 /nfs/dbraw/zinc/83/36/66/350833666.db2.gz QPCPJDYPIWKZED-OAHLLOKOSA-N 1 0 246.398 4.054 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000616614564 350835493 /nfs/dbraw/zinc/83/54/93/350835493.db2.gz VHNOHJKGQWXLRW-CQSZACIVSA-N 1 0 235.346 4.151 10 0 BIAERO CC(C)[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000616614576 350835519 /nfs/dbraw/zinc/83/55/19/350835519.db2.gz VQAFENDXWPCQLO-CQSZACIVSA-N 1 0 237.774 4.275 10 0 BIAERO COc1ccc([C@H]2CCCC[N@@H+]2C(C)(C)C)cc1 ZINC000616614831 350840204 /nfs/dbraw/zinc/84/02/04/350840204.db2.gz WSWWPVHVLZZDPN-OAHLLOKOSA-N 1 0 247.382 4.021 10 0 BIAERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000616614876 350841102 /nfs/dbraw/zinc/84/11/02/350841102.db2.gz XFSSSRBHXGTISJ-CQSZACIVSA-N 1 0 237.774 4.275 10 0 BIAERO COc1cccc([C@@H]2CCCC[N@@H+]2C(C)(C)C)c1 ZINC000616615090 350844721 /nfs/dbraw/zinc/84/47/21/350844721.db2.gz BZMURSWYYKLWGB-HNNXBMFYSA-N 1 0 247.382 4.021 10 0 BIAERO CNc1ccc([C@@H]2CCCC[N@@H+]2C(C)(C)C)cc1 ZINC000616615166 350845400 /nfs/dbraw/zinc/84/54/00/350845400.db2.gz DZJSSTWIRNXVMQ-HNNXBMFYSA-N 1 0 246.398 4.054 10 0 BIAERO CC(C)[N@@H+]1CCCC[C@H]1c1ccccc1Cl ZINC000616615174 350845388 /nfs/dbraw/zinc/84/53/88/350845388.db2.gz FIDNDTQWTVFALQ-AWEZNQCLSA-N 1 0 237.774 4.275 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000616615177 350845438 /nfs/dbraw/zinc/84/54/38/350845438.db2.gz FKAGYRXKGRBUOT-AWEZNQCLSA-N 1 0 235.346 4.151 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC000616615488 350847621 /nfs/dbraw/zinc/84/76/21/350847621.db2.gz NHVQUKLHVDDFBB-AWEZNQCLSA-N 1 0 235.346 4.151 10 0 BIAERO CNc1cccc([C@@H]2CCCC[N@@H+]2C(C)(C)C)c1 ZINC000616615739 350849427 /nfs/dbraw/zinc/84/94/27/350849427.db2.gz PXIKKKVGKKJJOH-HNNXBMFYSA-N 1 0 246.398 4.054 10 0 BIAERO COc1ccccc1[C@@H]1CCCC[N@@H+]1C(C)(C)C ZINC000616615747 350849520 /nfs/dbraw/zinc/84/95/20/350849520.db2.gz QMQHXJTZIYQPSB-AWEZNQCLSA-N 1 0 247.382 4.021 10 0 BIAERO CNc1ccccc1[C@@H]1CCCC[N@@H+]1C(C)(C)C ZINC000616615751 350849551 /nfs/dbraw/zinc/84/95/51/350849551.db2.gz QPCPJDYPIWKZED-HNNXBMFYSA-N 1 0 246.398 4.054 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000616615843 350851271 /nfs/dbraw/zinc/85/12/71/350851271.db2.gz VHNOHJKGQWXLRW-AWEZNQCLSA-N 1 0 235.346 4.151 10 0 BIAERO CC(C)[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000616615845 350851279 /nfs/dbraw/zinc/85/12/79/350851279.db2.gz VQAFENDXWPCQLO-AWEZNQCLSA-N 1 0 237.774 4.275 10 0 BIAERO COc1ccc([C@@H]2CCCC[N@@H+]2C(C)(C)C)cc1 ZINC000616615872 411390561 /nfs/dbraw/zinc/39/05/61/411390561.db2.gz WSWWPVHVLZZDPN-HNNXBMFYSA-N 1 0 247.382 4.021 10 0 BIAERO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000616615896 350850287 /nfs/dbraw/zinc/85/02/87/350850287.db2.gz XFSSSRBHXGTISJ-AWEZNQCLSA-N 1 0 237.774 4.275 10 0 BIAERO CNc1ccc([C@@H]2CCCCC[N@@H+]2C(C)C)cc1 ZINC000616620955 350948619 /nfs/dbraw/zinc/94/86/19/350948619.db2.gz IHNPBYCGGAJMQE-INIZCTEOSA-N 1 0 246.398 4.054 10 0 BIAERO COc1ccccc1[C@@H]1CCCCC[N@@H+]1C(C)C ZINC000616621664 398206462 /nfs/dbraw/zinc/20/64/62/398206462.db2.gz NBBPVUSQZSYOPW-HNNXBMFYSA-N 1 0 247.382 4.021 10 0 BIAERO CNc1ccccc1[C@@H]1CCCCC[N@@H+]1C(C)C ZINC000616621716 351082984 /nfs/dbraw/zinc/08/29/84/351082984.db2.gz OFTLYEZIZMCKJW-INIZCTEOSA-N 1 0 246.398 4.054 10 0 BIAERO COc1cccc([C@@H]2CCCCC[N@@H+]2C(C)C)c1 ZINC000616621861 351085243 /nfs/dbraw/zinc/08/52/43/351085243.db2.gz PUSFFMWQRXFTMF-INIZCTEOSA-N 1 0 247.382 4.021 10 0 BIAERO COc1ccc([C@@H]2CCCCC[N@@H+]2C(C)C)cc1 ZINC000616621865 351085260 /nfs/dbraw/zinc/08/52/60/351085260.db2.gz PWCXCUZBZYONKE-INIZCTEOSA-N 1 0 247.382 4.021 10 0 BIAERO CC(C)[N@@H+]1CCCCC[C@H]1c1cccc(F)c1 ZINC000616622173 398207071 /nfs/dbraw/zinc/20/70/71/398207071.db2.gz VPLFWWIIAHJAGV-HNNXBMFYSA-N 1 0 235.346 4.151 10 0 BIAERO CC(C)[N@@H+]1CCCCC[C@H]1c1ccccc1F ZINC000616622192 351086197 /nfs/dbraw/zinc/08/61/97/351086197.db2.gz WENGTUUYAPNMAU-HNNXBMFYSA-N 1 0 235.346 4.151 10 0 BIAERO CC[N@@H+]1CCCCC[C@H]1c1cccc(Cl)c1 ZINC000616622203 351086176 /nfs/dbraw/zinc/08/61/76/351086176.db2.gz WITVOHXEVMXSEL-AWEZNQCLSA-N 1 0 237.774 4.277 10 0 BIAERO CC[N@@H+]1CCCCC[C@H]1c1ccccc1Cl ZINC000616622275 351086185 /nfs/dbraw/zinc/08/61/85/351086185.db2.gz XPRIYQOVHWIKOU-AWEZNQCLSA-N 1 0 237.774 4.277 10 0 BIAERO CNc1cccc([C@@H]2CCCCC[N@@H+]2C(C)C)c1 ZINC000616622509 351087023 /nfs/dbraw/zinc/08/70/23/351087023.db2.gz ZVRZSNXTVTYYND-INIZCTEOSA-N 1 0 246.398 4.054 10 0 BIAERO CC(C)[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616622794 351087716 /nfs/dbraw/zinc/08/77/16/351087716.db2.gz SMZVZGSSQUAWCD-MRXNPFEDSA-N 1 0 231.383 4.087 10 0 BIAERO CNc1ccc([C@H]2CCCCC[N@@H+]2C(C)C)cc1 ZINC000616622845 351087666 /nfs/dbraw/zinc/08/76/66/351087666.db2.gz IHNPBYCGGAJMQE-MRXNPFEDSA-N 1 0 246.398 4.054 10 0 BIAERO COc1ccccc1[C@H]1CCCCC[N@@H+]1C(C)C ZINC000616623564 351089580 /nfs/dbraw/zinc/08/95/80/351089580.db2.gz NBBPVUSQZSYOPW-OAHLLOKOSA-N 1 0 247.382 4.021 10 0 BIAERO CNc1ccccc1[C@H]1CCCCC[N@@H+]1C(C)C ZINC000616623583 351089426 /nfs/dbraw/zinc/08/94/26/351089426.db2.gz OFTLYEZIZMCKJW-MRXNPFEDSA-N 1 0 246.398 4.054 10 0 BIAERO COc1cccc([C@H]2CCCCC[N@@H+]2C(C)C)c1 ZINC000616623645 351089646 /nfs/dbraw/zinc/08/96/46/351089646.db2.gz PUSFFMWQRXFTMF-MRXNPFEDSA-N 1 0 247.382 4.021 10 0 BIAERO COc1ccc([C@H]2CCCCC[N@@H+]2C(C)C)cc1 ZINC000616623648 351089074 /nfs/dbraw/zinc/08/90/74/351089074.db2.gz PWCXCUZBZYONKE-MRXNPFEDSA-N 1 0 247.382 4.021 10 0 BIAERO CC(C)[N@@H+]1CCCCC[C@@H]1c1cccc(F)c1 ZINC000616624050 351090914 /nfs/dbraw/zinc/09/09/14/351090914.db2.gz VPLFWWIIAHJAGV-OAHLLOKOSA-N 1 0 235.346 4.151 10 0 BIAERO CC(C)[N@@H+]1CCCCC[C@@H]1c1ccccc1F ZINC000616624062 351090923 /nfs/dbraw/zinc/09/09/23/351090923.db2.gz WENGTUUYAPNMAU-OAHLLOKOSA-N 1 0 235.346 4.151 10 0 BIAERO CC[N@@H+]1CCCCC[C@@H]1c1cccc(Cl)c1 ZINC000616624073 351091253 /nfs/dbraw/zinc/09/12/53/351091253.db2.gz WITVOHXEVMXSEL-CQSZACIVSA-N 1 0 237.774 4.277 10 0 BIAERO CC(C)[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616624076 351090993 /nfs/dbraw/zinc/09/09/93/351090993.db2.gz SMZVZGSSQUAWCD-INIZCTEOSA-N 1 0 231.383 4.087 10 0 BIAERO CC[N@@H+]1CCCCC[C@@H]1c1ccccc1Cl ZINC000616624139 351091040 /nfs/dbraw/zinc/09/10/40/351091040.db2.gz XPRIYQOVHWIKOU-CQSZACIVSA-N 1 0 237.774 4.277 10 0 BIAERO CNc1cccc([C@H]2CCCCC[N@@H+]2C(C)C)c1 ZINC000616624391 351092147 /nfs/dbraw/zinc/09/21/47/351092147.db2.gz ZVRZSNXTVTYYND-MRXNPFEDSA-N 1 0 246.398 4.054 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cccc(F)c2)CC1 ZINC000616626852 351107153 /nfs/dbraw/zinc/10/71/53/351107153.db2.gz CLKFGOBCXYCAIZ-ZDUSSCGKSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccccc2F)CC1 ZINC000616627360 351094914 /nfs/dbraw/zinc/09/49/14/351094914.db2.gz KFESSIOBRSAXPK-CYBMUJFWSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccccc2F)CC1 ZINC000616627655 351095578 /nfs/dbraw/zinc/09/55/78/351095578.db2.gz KFESSIOBRSAXPK-ZDUSSCGKSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)(C)[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616629155 351100335 /nfs/dbraw/zinc/10/03/35/351100335.db2.gz PKHCNDGZTISZKE-INIZCTEOSA-N 1 0 245.410 4.335 10 0 BIAERO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616630026 351101646 /nfs/dbraw/zinc/10/16/46/351101646.db2.gz OENKIZXLCVTBBJ-INIZCTEOSA-N 1 0 245.410 4.335 10 0 BIAERO CC(C)(C)[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616634641 351117794 /nfs/dbraw/zinc/11/77/94/351117794.db2.gz YXZYRYSMJCXRSA-MRXNPFEDSA-N 1 0 245.410 4.477 10 0 BIAERO CC(C)(C)[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616654199 351195837 /nfs/dbraw/zinc/19/58/37/351195837.db2.gz PKHCNDGZTISZKE-MRXNPFEDSA-N 1 0 245.410 4.335 10 0 BIAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cccc(F)c2)C1 ZINC000616654815 351191189 /nfs/dbraw/zinc/19/11/89/351191189.db2.gz NEJOLHUSADZLOQ-CQSZACIVSA-N 1 0 249.373 4.194 10 0 BIAERO CC(C)[C@H]1c2ccccc2CC[N@@H+]1C(C)(C)C ZINC000616678167 411413421 /nfs/dbraw/zinc/41/34/21/411413421.db2.gz AXFXBIQGLSULEL-HNNXBMFYSA-N 1 0 231.383 4.040 10 0 BIAERO CC[C@@H](C[NH2+][C@H](C)c1cccs1)CC(F)F ZINC000660258122 411561290 /nfs/dbraw/zinc/56/12/90/411561290.db2.gz XOEBCVUFKOYDML-NXEZZACHSA-N 1 0 247.354 4.080 10 0 BIAERO CC[C@H](C[NH2+][C@@H](C)c1cccs1)CC(F)F ZINC000660258123 411561172 /nfs/dbraw/zinc/56/11/72/411561172.db2.gz XOEBCVUFKOYDML-UWVGGRQHSA-N 1 0 247.354 4.080 10 0 BIAERO CC[C@@H](C[NH2+][C@@H](C)c1cccs1)CC(F)F ZINC000660258124 411561217 /nfs/dbraw/zinc/56/12/17/411561217.db2.gz XOEBCVUFKOYDML-VHSXEESVSA-N 1 0 247.354 4.080 10 0 BIAERO CC[C@H](C[NH2+][C@H](C)c1cccs1)CC(F)F ZINC000660258125 411561600 /nfs/dbraw/zinc/56/16/00/411561600.db2.gz XOEBCVUFKOYDML-ZJUUUORDSA-N 1 0 247.354 4.080 10 0 BIAERO CC(C)(C)c1oc(C2CCCCC2)cc1C[NH3+] ZINC000675052580 537963729 /nfs/dbraw/zinc/96/37/29/537963729.db2.gz BQUJDHLNTNQOGJ-UHFFFAOYSA-N 1 0 235.371 4.084 10 0 BIAERO [NH3+]Cc1cc(C2CCCCC2)oc1C1CCC1 ZINC000675052792 583916199 /nfs/dbraw/zinc/91/61/99/583916199.db2.gz FHDFAVVVQKPBDA-UHFFFAOYSA-N 1 0 233.355 4.054 10 0 BIAERO CCC(CC)[NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675057895 538481051 /nfs/dbraw/zinc/48/10/51/538481051.db2.gz NIDTUKOEMCUIPC-PQJKGVAHSA-N 1 0 249.442 4.225 10 0 BIAERO CCC(CC)[NH2+][C@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675057896 538480524 /nfs/dbraw/zinc/48/05/24/538480524.db2.gz NIDTUKOEMCUIPC-VQGSXZNQSA-N 1 0 249.442 4.225 10 0 BIAERO CCC(C)(C)[NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675058078 538480875 /nfs/dbraw/zinc/48/08/75/538480875.db2.gz RDXGSMQYWCONIW-MGWQBKBZSA-N 1 0 249.442 4.225 10 0 BIAERO CCC(C)(C)[NH2+][C@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675058079 538481065 /nfs/dbraw/zinc/48/10/65/538481065.db2.gz RDXGSMQYWCONIW-WFWUXJIDSA-N 1 0 249.442 4.225 10 0 BIAERO C[C@H]1C[NH2+]C[C@H](C2CC(C)(C)CC(C)(C)C2)C1 ZINC000675059752 538485210 /nfs/dbraw/zinc/48/52/10/538485210.db2.gz LFTFOVZAPSXFMU-CHWSQXEVSA-N 1 0 237.431 4.085 10 0 BIAERO C[C@H]1C[NH2+]C[C@@H](C2CC(C)(C)CC(C)(C)C2)C1 ZINC000675059753 538485514 /nfs/dbraw/zinc/48/55/14/538485514.db2.gz LFTFOVZAPSXFMU-OLZOCXBDSA-N 1 0 237.431 4.085 10 0 BIAERO C[C@@H]1C[NH2+]C[C@H](C2CC(C)(C)CC(C)(C)C2)C1 ZINC000675059754 538485009 /nfs/dbraw/zinc/48/50/09/538485009.db2.gz LFTFOVZAPSXFMU-QWHCGFSZSA-N 1 0 237.431 4.085 10 0 BIAERO C[C@@H]1C[NH2+]C[C@@H](C2CC(C)(C)CC(C)(C)C2)C1 ZINC000675059755 538485273 /nfs/dbraw/zinc/48/52/73/538485273.db2.gz LFTFOVZAPSXFMU-STQMWFEESA-N 1 0 237.431 4.085 10 0 BIAERO CCC(C)(C)C1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000675059770 538484868 /nfs/dbraw/zinc/48/48/68/538484868.db2.gz LPJFLILNMZLRKO-SHARSMKWSA-N 1 0 237.431 4.229 10 0 BIAERO CCC(C)(C)C1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000675059771 538485116 /nfs/dbraw/zinc/48/51/16/538485116.db2.gz LPJFLILNMZLRKO-SLTAFYQDSA-N 1 0 237.431 4.229 10 0 BIAERO C[C@H]1C[NH2+]C[C@H](C2CCC(C(C)(C)C)CC2)C1 ZINC000675060212 538485992 /nfs/dbraw/zinc/48/59/92/538485992.db2.gz ULOOPMZXUYGMIJ-FEWQNLEASA-N 1 0 237.431 4.085 10 0 BIAERO C[C@@H]1C[NH2+]C[C@H](C2CCC(C(C)(C)C)CC2)C1 ZINC000675060213 538486353 /nfs/dbraw/zinc/48/63/53/538486353.db2.gz ULOOPMZXUYGMIJ-FGZQJIAISA-N 1 0 237.431 4.085 10 0 BIAERO C[C@H]1C[NH2+]C[C@@H](C2CCC(C(C)(C)C)CC2)C1 ZINC000675060215 538486065 /nfs/dbraw/zinc/48/60/65/538486065.db2.gz ULOOPMZXUYGMIJ-JLVJUDLZSA-N 1 0 237.431 4.085 10 0 BIAERO C[C@@H]1C[NH2+]C[C@@H](C2CCC(C(C)(C)C)CC2)C1 ZINC000675060217 538485725 /nfs/dbraw/zinc/48/57/25/538485725.db2.gz ULOOPMZXUYGMIJ-LQULJDIASA-N 1 0 237.431 4.085 10 0 BIAERO Cc1cc2oc([C@H]([NH3+])C(C)C)cc2cc1Cl ZINC000675080256 538519579 /nfs/dbraw/zinc/51/95/79/538519579.db2.gz ASGGLRXMSTZVSQ-CYBMUJFWSA-N 1 0 237.730 4.050 10 0 BIAERO Cc1cc2oc([C@@H]([NH3+])C(C)C)cc2cc1Cl ZINC000675080257 538519601 /nfs/dbraw/zinc/51/96/01/538519601.db2.gz ASGGLRXMSTZVSQ-ZDUSSCGKSA-N 1 0 237.730 4.050 10 0 BIAERO CCC[C@@H]([NH3+])c1cc2c(ccc(Cl)c2F)o1 ZINC000675081149 538521565 /nfs/dbraw/zinc/52/15/65/538521565.db2.gz JONUFHSOQCJPLP-SECBINFHSA-N 1 0 241.693 4.025 10 0 BIAERO CCC[C@H]([NH3+])c1cc2c(ccc(Cl)c2F)o1 ZINC000675081150 538521596 /nfs/dbraw/zinc/52/15/96/538521596.db2.gz JONUFHSOQCJPLP-VIFPVBQESA-N 1 0 241.693 4.025 10 0 BIAERO CCC[C@@H]([NH3+])c1cc2cc(Cl)c(C)cc2o1 ZINC000675081317 538521089 /nfs/dbraw/zinc/52/10/89/538521089.db2.gz QRENLGXPBWQIRI-LLVKDONJSA-N 1 0 237.730 4.195 10 0 BIAERO CCC[C@H]([NH3+])c1cc2cc(Cl)c(C)cc2o1 ZINC000675081318 538521166 /nfs/dbraw/zinc/52/11/66/538521166.db2.gz QRENLGXPBWQIRI-NSHDSACASA-N 1 0 237.730 4.195 10 0 BIAERO CC(C)C[C@@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000675081601 538522274 /nfs/dbraw/zinc/52/22/74/538522274.db2.gz VCKKEEBESBAUMD-LLVKDONJSA-N 1 0 237.730 4.132 10 0 BIAERO CC(C)C[C@H]([NH3+])c1cc2c(cccc2Cl)o1 ZINC000675081602 538522795 /nfs/dbraw/zinc/52/27/95/538522795.db2.gz VCKKEEBESBAUMD-NSHDSACASA-N 1 0 237.730 4.132 10 0 BIAERO CCC[C@@H]([NH3+])c1cc2c(cc(C)cc2Cl)o1 ZINC000675081613 538522305 /nfs/dbraw/zinc/52/23/05/538522305.db2.gz VMCZHBVFLKXNQS-LLVKDONJSA-N 1 0 237.730 4.195 10 0 BIAERO CCC[C@H]([NH3+])c1cc2c(cc(C)cc2Cl)o1 ZINC000675081614 538522210 /nfs/dbraw/zinc/52/22/10/538522210.db2.gz VMCZHBVFLKXNQS-NSHDSACASA-N 1 0 237.730 4.195 10 0 BIAERO Cc1cc2oc([C@H]([NH3+])C(C)C)cc2c(Cl)c1 ZINC000675081907 538523257 /nfs/dbraw/zinc/52/32/57/538523257.db2.gz ZKUWFDQECMTISY-CYBMUJFWSA-N 1 0 237.730 4.050 10 0 BIAERO Cc1cc2oc([C@@H]([NH3+])C(C)C)cc2c(Cl)c1 ZINC000675081908 538522435 /nfs/dbraw/zinc/52/24/35/538522435.db2.gz ZKUWFDQECMTISY-ZDUSSCGKSA-N 1 0 237.730 4.050 10 0 BIAERO CCC(CC)(CC)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712542826 537792889 /nfs/dbraw/zinc/79/28/89/537792889.db2.gz RZBCYUJARIQUMD-CYBMUJFWSA-N 1 0 237.412 4.151 10 0 BIAERO CCC(CC)(CC)[C@H]1[NH2+]CCc2ccsc21 ZINC000712542845 537792936 /nfs/dbraw/zinc/79/29/36/537792936.db2.gz RZBCYUJARIQUMD-ZDUSSCGKSA-N 1 0 237.412 4.151 10 0 BIAERO CCCCCC[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712574480 537790564 /nfs/dbraw/zinc/79/05/64/537790564.db2.gz PFJQOVNCQNNHOD-AWEZNQCLSA-N 1 0 237.412 4.079 10 0 BIAERO CCCCCC[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712574482 537790851 /nfs/dbraw/zinc/79/08/51/537790851.db2.gz PFJQOVNCQNNHOD-CQSZACIVSA-N 1 0 237.412 4.079 10 0 BIAERO Cc1coc(C[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000718034711 712737186 /nfs/dbraw/zinc/73/71/86/712737186.db2.gz FFKHECWPLQQCCX-LLVKDONJSA-N 1 0 249.741 4.092 10 0 BIAERO Cc1coc(C[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000718034716 712737122 /nfs/dbraw/zinc/73/71/22/712737122.db2.gz FFKHECWPLQQCCX-NSHDSACASA-N 1 0 249.741 4.092 10 0 BIAERO Cc1ccc(C2=CC[C@](C)([NH+](C)C)CC2)cc1F ZINC000725256735 538056669 /nfs/dbraw/zinc/05/66/69/538056669.db2.gz KKRNKRQHUUWDPA-INIZCTEOSA-N 1 0 247.357 4.022 10 0 BIAERO Cc1ccc(C2=CC[C@@](C)([NH+](C)C)CC2)cc1F ZINC000725256736 538057073 /nfs/dbraw/zinc/05/70/73/538057073.db2.gz KKRNKRQHUUWDPA-MRXNPFEDSA-N 1 0 247.357 4.022 10 0 BIAERO CCC(C)(C)C1CCC(C(C)(C)C[NH3+])CC1 ZINC000725261364 538086582 /nfs/dbraw/zinc/08/65/82/538086582.db2.gz IUTHWJBWTUZQQR-UHFFFAOYSA-N 1 0 225.420 4.214 10 0 BIAERO C=C(OCC)c1cccc([C@H](CC)[NH2+]CCC)c1 ZINC000725267624 538098369 /nfs/dbraw/zinc/09/83/69/538098369.db2.gz QROIZBJVAREOIM-INIZCTEOSA-N 1 0 247.382 4.145 10 0 BIAERO C=C(OCC)c1cccc([C@@H](CC)[NH2+]CCC)c1 ZINC000725267625 538098360 /nfs/dbraw/zinc/09/83/60/538098360.db2.gz QROIZBJVAREOIM-MRXNPFEDSA-N 1 0 247.382 4.145 10 0 BIAERO C=C(OCC)c1ccc([C@H](CC)[NH2+]CCC)cc1 ZINC000725267626 538098138 /nfs/dbraw/zinc/09/81/38/538098138.db2.gz QULQENVHDSYZTK-INIZCTEOSA-N 1 0 247.382 4.145 10 0 BIAERO C=C(OCC)c1ccc([C@@H](CC)[NH2+]CCC)cc1 ZINC000725267627 538098141 /nfs/dbraw/zinc/09/81/41/538098141.db2.gz QULQENVHDSYZTK-MRXNPFEDSA-N 1 0 247.382 4.145 10 0 BIAERO C[C@@H]1CCC[C@@H](c2cccc(C(C)(C)C)c2)[NH2+]1 ZINC000725269213 538101423 /nfs/dbraw/zinc/10/14/23/538101423.db2.gz GOGUGHAVRNIQKG-DOMZBBRYSA-N 1 0 231.383 4.187 10 0 BIAERO C[C@@H]1CCC[C@H](c2cccc(C(C)(C)C)c2)[NH2+]1 ZINC000725269214 538101330 /nfs/dbraw/zinc/10/13/30/538101330.db2.gz GOGUGHAVRNIQKG-IUODEOHRSA-N 1 0 231.383 4.187 10 0 BIAERO C[C@H]1CCC[C@H](c2cccc(C(C)(C)C)c2)[NH2+]1 ZINC000725269215 538101277 /nfs/dbraw/zinc/10/12/77/538101277.db2.gz GOGUGHAVRNIQKG-SWLSCSKDSA-N 1 0 231.383 4.187 10 0 BIAERO C[C@H]1CCC[C@@H](c2cccc(C(C)(C)C)c2)[NH2+]1 ZINC000725269216 538101323 /nfs/dbraw/zinc/10/13/23/538101323.db2.gz GOGUGHAVRNIQKG-WFASDCNBSA-N 1 0 231.383 4.187 10 0 BIAERO Cc1cc(O)c(C(C)(C)C)cc1[C@H]([NH3+])C(C)(C)C ZINC000757133753 582510404 /nfs/dbraw/zinc/51/04/04/582510404.db2.gz WDEYAMHXHSWLDE-AWEZNQCLSA-N 1 0 249.398 4.044 10 0 BIAERO Cc1cc(O)c(C(C)(C)C)cc1[C@@H]([NH3+])C(C)(C)C ZINC000757133757 582510239 /nfs/dbraw/zinc/51/02/39/582510239.db2.gz WDEYAMHXHSWLDE-CQSZACIVSA-N 1 0 249.398 4.044 10 0 BIAERO CCCC1(CCC)[NH2+][C@H](c2ccccc2)CCO1 ZINC000757141216 582521377 /nfs/dbraw/zinc/52/13/77/582521377.db2.gz OVQNVOABDBBWHN-HNNXBMFYSA-N 1 0 247.382 4.034 10 0 BIAERO CCCC1(CCC)[NH2+][C@@H](c2ccccc2)CCO1 ZINC000757141218 582521708 /nfs/dbraw/zinc/52/17/08/582521708.db2.gz OVQNVOABDBBWHN-OAHLLOKOSA-N 1 0 247.382 4.034 10 0 BIAERO Cc1cc(O)c(C(C)(C)C)cc1[C@@H]([NH3+])CC(C)C ZINC000757143048 582523588 /nfs/dbraw/zinc/52/35/88/582523588.db2.gz DTDXCMLIPDHEDX-AWEZNQCLSA-N 1 0 249.398 4.044 10 0 BIAERO Cc1cc(O)c(C(C)(C)C)cc1[C@H]([NH3+])CC(C)C ZINC000757143056 582523680 /nfs/dbraw/zinc/52/36/80/582523680.db2.gz DTDXCMLIPDHEDX-CQSZACIVSA-N 1 0 249.398 4.044 10 0 BIAERO CCc1ccc2c(c1)C(CC)(CC)CC[C@@H]2[NH3+] ZINC000757186051 586434588 /nfs/dbraw/zinc/43/45/88/586434588.db2.gz GCLLBPRXOVRDCF-HNNXBMFYSA-N 1 0 231.383 4.100 10 0 BIAERO CCc1ccc2c(c1)C(CC)(CC)CC[C@H]2[NH3+] ZINC000757186072 582555187 /nfs/dbraw/zinc/55/51/87/582555187.db2.gz GCLLBPRXOVRDCF-OAHLLOKOSA-N 1 0 231.383 4.100 10 0 BIAERO CCC1(CC)CC[C@@H]([NH3+])c2c(Cl)cccc21 ZINC000757186328 582555298 /nfs/dbraw/zinc/55/52/98/582555298.db2.gz HGBOOGUGXOPOQO-GFCCVEGCSA-N 1 0 237.774 4.191 10 0 BIAERO CCC1(CC)CC[C@H]([NH3+])c2c(Cl)cccc21 ZINC000757186359 586434550 /nfs/dbraw/zinc/43/45/50/586434550.db2.gz HGBOOGUGXOPOQO-LBPRGKRZSA-N 1 0 237.774 4.191 10 0 BIAERO CCC1(CC)CC[C@@H]([NH3+])c2ccc(Cl)cc21 ZINC000757186503 586434735 /nfs/dbraw/zinc/43/47/35/586434735.db2.gz IJAUAHDABANCKZ-CYBMUJFWSA-N 1 0 237.774 4.191 10 0 BIAERO CCC1(CC)CC[C@H]([NH3+])c2ccc(Cl)cc21 ZINC000757186505 586434406 /nfs/dbraw/zinc/43/44/06/586434406.db2.gz IJAUAHDABANCKZ-ZDUSSCGKSA-N 1 0 237.774 4.191 10 0 BIAERO Cc1ccc(F)c2c1C1(CCCCC1)CC[C@H]2[NH3+] ZINC000757187848 582555120 /nfs/dbraw/zinc/55/51/20/582555120.db2.gz LIZZBWRWQZDVTI-CYBMUJFWSA-N 1 0 247.357 4.130 10 0 BIAERO Cc1ccc(F)c2c1C1(CCCCC1)CC[C@@H]2[NH3+] ZINC000757187889 586434946 /nfs/dbraw/zinc/43/49/46/586434946.db2.gz LIZZBWRWQZDVTI-ZDUSSCGKSA-N 1 0 247.357 4.130 10 0 BIAERO Cc1cc(F)cc2c1[C@@H]([NH3+])CCC21CCCCC1 ZINC000757188768 582556094 /nfs/dbraw/zinc/55/60/94/582556094.db2.gz OIGBDNXVCZVOJX-AWEZNQCLSA-N 1 0 247.357 4.130 10 0 BIAERO Cc1cc(F)cc2c1[C@H]([NH3+])CCC21CCCCC1 ZINC000757188773 582555952 /nfs/dbraw/zinc/55/59/52/582555952.db2.gz OIGBDNXVCZVOJX-CQSZACIVSA-N 1 0 247.357 4.130 10 0 BIAERO [NH3+][C@@H]1CCC2(CCCCC2)c2cccc(Cl)c21 ZINC000757189370 586435170 /nfs/dbraw/zinc/43/51/70/586435170.db2.gz QNGHNIRMLLCYEX-CYBMUJFWSA-N 1 0 249.785 4.336 10 0 BIAERO [NH3+][C@H]1CCC2(CCCCC2)c2cccc(Cl)c21 ZINC000757189376 582555951 /nfs/dbraw/zinc/55/59/51/582555951.db2.gz QNGHNIRMLLCYEX-ZDUSSCGKSA-N 1 0 249.785 4.336 10 0 BIAERO [NH3+][C@H]1CCC2(CCCCC2)c2cc(Cl)ccc21 ZINC000757190844 643362059 /nfs/dbraw/zinc/36/20/59/643362059.db2.gz ZQERQTZKIFXAJO-AWEZNQCLSA-N 1 0 249.785 4.336 10 0 BIAERO [NH3+][C@@H]1CCC2(CCCCC2)c2cc(Cl)ccc21 ZINC000757190847 643362539 /nfs/dbraw/zinc/36/25/39/643362539.db2.gz ZQERQTZKIFXAJO-CQSZACIVSA-N 1 0 249.785 4.336 10 0 BIAERO CC(C)c1ccc2c(c1)C1(CCC1)CC[C@@H]2[NH3+] ZINC000757190912 586435633 /nfs/dbraw/zinc/43/56/33/586435633.db2.gz ZVLUVSQQTBCVKU-HNNXBMFYSA-N 1 0 229.367 4.025 10 0 BIAERO CC(C)c1ccc2c(c1)C1(CCC1)CC[C@H]2[NH3+] ZINC000757190944 586435649 /nfs/dbraw/zinc/43/56/49/586435649.db2.gz ZVLUVSQQTBCVKU-OAHLLOKOSA-N 1 0 229.367 4.025 10 0 BIAERO CC1(C)CC2(CCC[C@@H]2CC[NH3+])CC(C)(C)C1 ZINC000757194596 582558683 /nfs/dbraw/zinc/55/86/83/582558683.db2.gz FFFODAZPBJARLV-CYBMUJFWSA-N 1 0 237.431 4.358 10 0 BIAERO CC1(C)CC2(CCC[C@H]2CC[NH3+])CC(C)(C)C1 ZINC000757194617 582558507 /nfs/dbraw/zinc/55/85/07/582558507.db2.gz FFFODAZPBJARLV-ZDUSSCGKSA-N 1 0 237.431 4.358 10 0 BIAERO C[C@H]1C[C@H](c2ccc(C3(C)CC3)cc2)[NH2+][C@@H](C)C1 ZINC000757208058 586438059 /nfs/dbraw/zinc/43/80/59/586438059.db2.gz CEWQMZGTVKHMBL-DVOMOZLQSA-N 1 0 243.394 4.187 10 0 BIAERO C[C@@H]1C[C@@H](C)[NH2+][C@H](c2ccc(C3(C)CC3)cc2)C1 ZINC000757208078 586437184 /nfs/dbraw/zinc/43/71/84/586437184.db2.gz CEWQMZGTVKHMBL-IOASZLSFSA-N 1 0 243.394 4.187 10 0 BIAERO C[C@@H]1C[C@H](C)[NH2+][C@H](c2ccc(C3(C)CC3)cc2)C1 ZINC000757208091 586438069 /nfs/dbraw/zinc/43/80/69/586438069.db2.gz CEWQMZGTVKHMBL-WWGRRREGSA-N 1 0 243.394 4.187 10 0 BIAERO C[C@@H]1C[C@@H](C)[NH2+][C@@H](c2ccc(C3(C)CC3)cc2)C1 ZINC000757208098 586437786 /nfs/dbraw/zinc/43/77/86/586437786.db2.gz CEWQMZGTVKHMBL-XJKCOSOUSA-N 1 0 243.394 4.187 10 0 BIAERO C[C@@H]1C[NH2+][C@@H](c2ccc(C3(C)CC3)cc2)[C@@H](C)C1 ZINC000757216126 586440571 /nfs/dbraw/zinc/44/05/71/586440571.db2.gz PMSQENJZODYUSU-HEHGZKQESA-N 1 0 243.394 4.045 10 0 BIAERO C[C@@H]1C[C@H](C)C[NH2+][C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757216128 586440880 /nfs/dbraw/zinc/44/08/80/586440880.db2.gz PMSQENJZODYUSU-WOSRLPQWSA-N 1 0 243.394 4.045 10 0 BIAERO C[C@@H]1C[NH2+][C@H](c2ccc(C3(C)CC3)cc2)[C@@H](C)C1 ZINC000757216130 586440813 /nfs/dbraw/zinc/44/08/13/586440813.db2.gz PMSQENJZODYUSU-XEZPLFJOSA-N 1 0 243.394 4.045 10 0 BIAERO C[C@@H]1C[C@H](C)C[NH2+][C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757216131 586440864 /nfs/dbraw/zinc/44/08/64/586440864.db2.gz PMSQENJZODYUSU-ZENOOKHLSA-N 1 0 243.394 4.045 10 0 BIAERO C[C@@H]1C[C@H](C)[NH2+][C@H](c2cscc2C(F)F)C1 ZINC000757237206 586443692 /nfs/dbraw/zinc/44/36/92/586443692.db2.gz POQTYKVYZKLJTH-FYBVGQRMSA-N 1 0 245.338 4.135 10 0 BIAERO C[C@@H]1C[C@@H](C)[NH2+][C@@H](c2cscc2C(F)F)C1 ZINC000757237224 586443617 /nfs/dbraw/zinc/44/36/17/586443617.db2.gz POQTYKVYZKLJTH-SOCHQFKDSA-N 1 0 245.338 4.135 10 0 BIAERO C[C@H]1C[C@H](c2cscc2C(F)F)[NH2+][C@@H](C)C1 ZINC000757237231 586443837 /nfs/dbraw/zinc/44/38/37/586443837.db2.gz POQTYKVYZKLJTH-VHSKPIJISA-N 1 0 245.338 4.135 10 0 BIAERO C[C@@H]1C[C@@H](C)[NH2+][C@H](c2cscc2C(F)F)C1 ZINC000757237240 586443876 /nfs/dbraw/zinc/44/38/76/586443876.db2.gz POQTYKVYZKLJTH-XLDPMVHQSA-N 1 0 245.338 4.135 10 0 BIAERO Cc1cc(C2=CCCCC2)c(F)cc1[C@@H](C)[NH3+] ZINC000757566265 586461660 /nfs/dbraw/zinc/46/16/60/586461660.db2.gz LUBZVQHCEWXZSC-LLVKDONJSA-N 1 0 233.330 4.111 10 0 BIAERO CC1(c2ccc(C3=CC[C@](C)([NH3+])CC3)cc2)CC1 ZINC000757571403 586462349 /nfs/dbraw/zinc/46/23/49/586462349.db2.gz KNUVDXLXHILOJX-KRWDZBQOSA-N 1 0 241.378 4.023 10 0 BIAERO CC1(c2ccc(C3=CC[C@@](C)([NH3+])CC3)cc2)CC1 ZINC000757571405 586462708 /nfs/dbraw/zinc/46/27/08/586462708.db2.gz KNUVDXLXHILOJX-QGZVFWFLSA-N 1 0 241.378 4.023 10 0 BIAERO