smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc([C@@H](C)NCc2ccco2)cc1 ZINC000019390281 347217096 /nfs/dbraw/zinc/21/70/96/347217096.db2.gz JUYRSBBQBQFJGT-CYBMUJFWSA-N 0 1 243.350 4.254 20 0 BIADMN CC(C)c1ccc([C@H](C)NCc2ccco2)cc1 ZINC000019390284 347217048 /nfs/dbraw/zinc/21/70/48/347217048.db2.gz JUYRSBBQBQFJGT-ZDUSSCGKSA-N 0 1 243.350 4.254 20 0 BIADMN C[C@@H](N[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000019878313 342960798 /nfs/dbraw/zinc/96/07/98/342960798.db2.gz ZZXAHUZHXSXCSK-OLZOCXBDSA-N 0 1 243.325 4.238 20 0 BIADMN C[C@@H](N[C@H](C)c1ccccc1F)c1ccccc1 ZINC000019878317 347517470 /nfs/dbraw/zinc/51/74/70/347517470.db2.gz ZZXAHUZHXSXCSK-CHWSQXEVSA-N 0 1 243.325 4.238 20 0 BIADMN Cc1ccc([C@@H](C)NCc2ccccc2F)s1 ZINC000019950572 384563606 /nfs/dbraw/zinc/56/36/06/384563606.db2.gz HNKPBVYZVYEWDN-LLVKDONJSA-N 0 1 249.354 4.046 20 0 BIADMN Cc1ccc([C@H](C)NCc2ccccc2F)s1 ZINC000019950576 397962684 /nfs/dbraw/zinc/96/26/84/397962684.db2.gz HNKPBVYZVYEWDN-NSHDSACASA-N 0 1 249.354 4.046 20 0 BIADMN Cc1cc(C)c([C@@H](C)NCc2ccco2)cc1C ZINC000020084038 385297552 /nfs/dbraw/zinc/29/75/52/385297552.db2.gz GGEZEQWQDLATAZ-CQSZACIVSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1cc(C)c([C@H](C)NCc2ccco2)cc1C ZINC000020084041 385297019 /nfs/dbraw/zinc/29/70/19/385297019.db2.gz GGEZEQWQDLATAZ-AWEZNQCLSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(F)cc2)o1 ZINC000020095588 384574437 /nfs/dbraw/zinc/57/44/37/384574437.db2.gz DQQKZQWHOYQZGM-NEPJUHHUSA-N 0 1 247.313 4.139 20 0 BIADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)cc2)o1 ZINC000020095590 384574988 /nfs/dbraw/zinc/57/49/88/384574988.db2.gz DQQKZQWHOYQZGM-RYUDHWBXSA-N 0 1 247.313 4.139 20 0 BIADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cc2)o1 ZINC000020095592 384574710 /nfs/dbraw/zinc/57/47/10/384574710.db2.gz DQQKZQWHOYQZGM-VXGBXAGGSA-N 0 1 247.313 4.139 20 0 BIADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cc2)o1 ZINC000020095594 384575212 /nfs/dbraw/zinc/57/52/12/384575212.db2.gz DQQKZQWHOYQZGM-NWDGAFQWSA-N 0 1 247.313 4.139 20 0 BIADMN Cc1ccc(CN[C@H](C)c2ccc(Cl)cc2)o1 ZINC000020121885 342969627 /nfs/dbraw/zinc/96/96/27/342969627.db2.gz YHBHERLKPNLBJK-LLVKDONJSA-N 0 1 249.741 4.092 20 0 BIADMN Cc1ccc(CN[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000020121886 342969828 /nfs/dbraw/zinc/96/98/28/342969828.db2.gz YHBHERLKPNLBJK-NSHDSACASA-N 0 1 249.741 4.092 20 0 BIADMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc(Cl)cc1 ZINC000020121953 342969740 /nfs/dbraw/zinc/96/97/40/342969740.db2.gz LIUGXWVJVWNEPW-MNOVXSKESA-N 0 1 249.741 4.345 20 0 BIADMN C[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000020121954 384577004 /nfs/dbraw/zinc/57/70/04/384577004.db2.gz LIUGXWVJVWNEPW-QWRGUYRKSA-N 0 1 249.741 4.345 20 0 BIADMN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000020121955 342969863 /nfs/dbraw/zinc/96/98/63/342969863.db2.gz LIUGXWVJVWNEPW-GHMZBOCLSA-N 0 1 249.741 4.345 20 0 BIADMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000020121956 342969489 /nfs/dbraw/zinc/96/94/89/342969489.db2.gz LIUGXWVJVWNEPW-WDEREUQCSA-N 0 1 249.741 4.345 20 0 BIADMN Cc1ccc(CN[C@H](C)c2cccc(Cl)c2)o1 ZINC000020124180 342970003 /nfs/dbraw/zinc/97/00/03/342970003.db2.gz SQPIHRNATPHFMT-LLVKDONJSA-N 0 1 249.741 4.092 20 0 BIADMN Cc1ccc(CN[C@@H](C)c2cccc(Cl)c2)o1 ZINC000020124181 342970075 /nfs/dbraw/zinc/97/00/75/342970075.db2.gz SQPIHRNATPHFMT-NSHDSACASA-N 0 1 249.741 4.092 20 0 BIADMN C[C@@H](N[C@@H](C)c1ccco1)c1cccc(Cl)c1 ZINC000020124248 176913488 /nfs/dbraw/zinc/91/34/88/176913488.db2.gz RHYIGBDGAXXBAX-MNOVXSKESA-N 0 1 249.741 4.345 20 0 BIADMN C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccco1 ZINC000020124250 342970238 /nfs/dbraw/zinc/97/02/38/342970238.db2.gz RHYIGBDGAXXBAX-GHMZBOCLSA-N 0 1 249.741 4.345 20 0 BIADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2C)o1 ZINC000020126218 384580598 /nfs/dbraw/zinc/58/05/98/384580598.db2.gz FKQAAOMVMBVAHK-ZIAGYGMSSA-N 0 1 243.350 4.308 20 0 BIADMN Cc1ccc([C@H](C)N[C@H](C)c2ccccc2C)o1 ZINC000020126219 384581654 /nfs/dbraw/zinc/58/16/54/384581654.db2.gz FKQAAOMVMBVAHK-KGLIPLIRSA-N 0 1 243.350 4.308 20 0 BIADMN C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000020133608 342970880 /nfs/dbraw/zinc/97/08/80/342970880.db2.gz BXOMMXPIXBONKS-IUODEOHRSA-N 0 1 241.334 4.008 20 0 BIADMN C[C@H](N[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000020133610 384583362 /nfs/dbraw/zinc/58/33/62/384583362.db2.gz BXOMMXPIXBONKS-SWLSCSKDSA-N 0 1 241.334 4.008 20 0 BIADMN C[C@@H](N[C@H]1CCCc2ccccc21)c1ccco1 ZINC000020133612 342971119 /nfs/dbraw/zinc/97/11/19/342971119.db2.gz BXOMMXPIXBONKS-DOMZBBRYSA-N 0 1 241.334 4.008 20 0 BIADMN C[C@H](N[C@H]1CCCc2ccccc21)c1ccco1 ZINC000020133615 342971138 /nfs/dbraw/zinc/97/11/38/342971138.db2.gz BXOMMXPIXBONKS-WFASDCNBSA-N 0 1 241.334 4.008 20 0 BIADMN C[C@@H](N[C@@H](C)c1ccccc1F)c1cccs1 ZINC000020148288 259389893 /nfs/dbraw/zinc/38/98/93/259389893.db2.gz FZYMLAHYUHMEQQ-WDEREUQCSA-N 0 1 249.354 4.299 20 0 BIADMN C[C@H](N[C@@H](C)c1ccccc1F)c1cccs1 ZINC000020148289 259389777 /nfs/dbraw/zinc/38/97/77/259389777.db2.gz FZYMLAHYUHMEQQ-QWRGUYRKSA-N 0 1 249.354 4.299 20 0 BIADMN C[C@@H](N[C@H](C)c1ccccc1F)c1cccs1 ZINC000020148290 259389744 /nfs/dbraw/zinc/38/97/44/259389744.db2.gz FZYMLAHYUHMEQQ-GHMZBOCLSA-N 0 1 249.354 4.299 20 0 BIADMN C[C@@H](N[C@@H](C)c1cccs1)c1ccccc1F ZINC000020148291 259389860 /nfs/dbraw/zinc/38/98/60/259389860.db2.gz FZYMLAHYUHMEQQ-MNOVXSKESA-N 0 1 249.354 4.299 20 0 BIADMN Cc1ccc([C@@H](C)NCc2ccc(Cl)cc2)o1 ZINC000020209744 384598436 /nfs/dbraw/zinc/59/84/36/384598436.db2.gz IJJYQQGUKQPKDO-LLVKDONJSA-N 0 1 249.741 4.092 20 0 BIADMN Cc1ccc([C@H](C)NCc2ccc(Cl)cc2)o1 ZINC000020209747 384599805 /nfs/dbraw/zinc/59/98/05/384599805.db2.gz IJJYQQGUKQPKDO-NSHDSACASA-N 0 1 249.741 4.092 20 0 BIADMN CC(C)C[C@@H](NCc1ccco1)c1ccccc1 ZINC000021962371 187206254 /nfs/dbraw/zinc/20/62/54/187206254.db2.gz ABTUYEWHRVWVJH-MRXNPFEDSA-N 0 1 243.350 4.157 20 0 BIADMN CC(C)C[C@H](NCc1ccco1)c1ccccc1 ZINC000021962376 356548670 /nfs/dbraw/zinc/54/86/70/356548670.db2.gz ABTUYEWHRVWVJH-INIZCTEOSA-N 0 1 243.350 4.157 20 0 BIADMN CCCc1ccc([C@@H](C)NCc2ccco2)cc1 ZINC000021965549 386090754 /nfs/dbraw/zinc/09/07/54/386090754.db2.gz FDEQDYDWHQIOGS-CYBMUJFWSA-N 0 1 243.350 4.083 20 0 BIADMN CCCc1ccc([C@H](C)NCc2ccco2)cc1 ZINC000021965553 386090631 /nfs/dbraw/zinc/09/06/31/386090631.db2.gz FDEQDYDWHQIOGS-ZDUSSCGKSA-N 0 1 243.350 4.083 20 0 BIADMN CN(C/C=C/Cl)Cc1cccc2ccccc21 ZINC000022012948 643399456 /nfs/dbraw/zinc/39/94/56/643399456.db2.gz IPIOOPDWWWBYPQ-BJMVGYQFSA-N 0 1 245.753 4.024 20 0 BIADMN CC[C@@H](NCc1ccco1)c1cccc(Cl)c1 ZINC000022171250 343043215 /nfs/dbraw/zinc/04/32/15/343043215.db2.gz RCDRFCXCKYZNBB-CQSZACIVSA-N 0 1 249.741 4.174 20 0 BIADMN CC[C@H](NCc1ccco1)c1cccc(Cl)c1 ZINC000022171255 343043256 /nfs/dbraw/zinc/04/32/56/343043256.db2.gz RCDRFCXCKYZNBB-AWEZNQCLSA-N 0 1 249.741 4.174 20 0 BIADMN CC[C@@H](NCc1ccco1)c1ccc(Cl)cc1 ZINC000022212201 343044420 /nfs/dbraw/zinc/04/44/20/343044420.db2.gz YWGKWTJBYFXSNI-CQSZACIVSA-N 0 1 249.741 4.174 20 0 BIADMN CC[C@H](NCc1ccco1)c1ccc(Cl)cc1 ZINC000022212205 343044413 /nfs/dbraw/zinc/04/44/13/343044413.db2.gz YWGKWTJBYFXSNI-AWEZNQCLSA-N 0 1 249.741 4.174 20 0 BIADMN CCCCN(C)Cc1ccc(Cl)cc1Cl ZINC000027909854 350737808 /nfs/dbraw/zinc/73/78/08/350737808.db2.gz FCWUYEKYAHIFTO-UHFFFAOYSA-N 0 1 246.181 4.225 20 0 BIADMN Cc1ccc([C@@H](C)NCc2cccc(Cl)c2)o1 ZINC000034993602 383822288 /nfs/dbraw/zinc/82/22/88/383822288.db2.gz YAPABQOOXIMMCM-LLVKDONJSA-N 0 1 249.741 4.092 20 0 BIADMN Cc1ccc([C@H](C)NCc2cccc(Cl)c2)o1 ZINC000034993603 383821200 /nfs/dbraw/zinc/82/12/00/383821200.db2.gz YAPABQOOXIMMCM-NSHDSACASA-N 0 1 249.741 4.092 20 0 BIADMN CCc1ccc(CN[C@@H](C)c2ccc(C)o2)cc1 ZINC000034993630 636350269 /nfs/dbraw/zinc/35/02/69/636350269.db2.gz VEGHYCICBAYOLC-ZDUSSCGKSA-N 0 1 243.350 4.001 20 0 BIADMN CCc1ccc(CN[C@H](C)c2ccc(C)o2)cc1 ZINC000034993631 636351543 /nfs/dbraw/zinc/35/15/43/636351543.db2.gz VEGHYCICBAYOLC-CYBMUJFWSA-N 0 1 243.350 4.001 20 0 BIADMN Cc1ccc([C@H](C)NCc2ccc(C)cc2C)o1 ZINC000034993638 636351858 /nfs/dbraw/zinc/35/18/58/636351858.db2.gz ULUBGFVZLRTPEK-AWEZNQCLSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1ccc([C@@H](C)NCc2ccc(C)cc2C)o1 ZINC000034993639 636350925 /nfs/dbraw/zinc/35/09/25/636350925.db2.gz ULUBGFVZLRTPEK-CQSZACIVSA-N 0 1 243.350 4.056 20 0 BIADMN CC[C@H](NCc1ccc(C)o1)c1ccc(C)cc1 ZINC000034996312 645857470 /nfs/dbraw/zinc/85/74/70/645857470.db2.gz ZURHYOGUQWKFDC-INIZCTEOSA-N 0 1 243.350 4.137 20 0 BIADMN CC[C@@H](NCc1ccc(C)o1)c1ccc(C)cc1 ZINC000034996313 170902364 /nfs/dbraw/zinc/90/23/64/170902364.db2.gz ZURHYOGUQWKFDC-MRXNPFEDSA-N 0 1 243.350 4.137 20 0 BIADMN CCc1ccc([C@@H](C)NCc2ccc(C)o2)cc1 ZINC000035009795 171831557 /nfs/dbraw/zinc/83/15/57/171831557.db2.gz NWBPUIFKDXUPAI-CYBMUJFWSA-N 0 1 243.350 4.001 20 0 BIADMN Cc1ccc(CN[C@H](C)c2cc(C)ccc2C)o1 ZINC000035010577 351381318 /nfs/dbraw/zinc/38/13/18/351381318.db2.gz QNMDBTUDNNFPHS-CQSZACIVSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1ccc(CN[C@@H](C)c2cc(C)ccc2C)o1 ZINC000035010579 351380729 /nfs/dbraw/zinc/38/07/29/351380729.db2.gz QNMDBTUDNNFPHS-AWEZNQCLSA-N 0 1 243.350 4.056 20 0 BIADMN CCC[C@H](NCc1ccc(C)o1)c1ccccc1 ZINC000035013099 387034407 /nfs/dbraw/zinc/03/44/07/387034407.db2.gz SBYFGHIXYCHIQM-INIZCTEOSA-N 0 1 243.350 4.219 20 0 BIADMN CCC[C@@H](NCc1ccc(C)o1)c1ccccc1 ZINC000035013101 262808438 /nfs/dbraw/zinc/80/84/38/262808438.db2.gz SBYFGHIXYCHIQM-MRXNPFEDSA-N 0 1 243.350 4.219 20 0 BIADMN CC(C)c1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000035136854 359649103 /nfs/dbraw/zinc/64/91/03/359649103.db2.gz OMDKSDYLBFMOCL-ZDUSSCGKSA-N 0 1 243.350 4.254 20 0 BIADMN CC(C)c1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000035136856 359649413 /nfs/dbraw/zinc/64/94/13/359649413.db2.gz OMDKSDYLBFMOCL-CYBMUJFWSA-N 0 1 243.350 4.254 20 0 BIADMN Cc1cc(C)c(CN[C@@H](C)c2ccco2)c(C)c1 ZINC000035136946 387555556 /nfs/dbraw/zinc/55/55/56/387555556.db2.gz BXGYNEMCRFXLNQ-AWEZNQCLSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1cc(C)c(CN[C@H](C)c2ccco2)c(C)c1 ZINC000035136947 387554638 /nfs/dbraw/zinc/55/46/38/387554638.db2.gz BXGYNEMCRFXLNQ-CQSZACIVSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1ccc(CN[C@@H](C)c2cc(C)sc2C)o1 ZINC000035253000 641322236 /nfs/dbraw/zinc/32/22/36/641322236.db2.gz CBGJHNZLYNWRIY-NSHDSACASA-N 0 1 249.379 4.117 20 0 BIADMN Cc1ccc(CN[C@H](C)c2cc(C)sc2C)o1 ZINC000035253002 641321714 /nfs/dbraw/zinc/32/17/14/641321714.db2.gz CBGJHNZLYNWRIY-LLVKDONJSA-N 0 1 249.379 4.117 20 0 BIADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccco2)c(C)s1 ZINC000035738619 178231638 /nfs/dbraw/zinc/23/16/38/178231638.db2.gz FJLHEJSWSNBQTM-MNOVXSKESA-N 0 1 249.379 4.370 20 0 BIADMN Cc1cc([C@H](C)N[C@@H](C)c2ccco2)c(C)s1 ZINC000035738620 178253054 /nfs/dbraw/zinc/25/30/54/178253054.db2.gz FJLHEJSWSNBQTM-QWRGUYRKSA-N 0 1 249.379 4.370 20 0 BIADMN Cc1cc([C@@H](C)N[C@H](C)c2ccco2)c(C)s1 ZINC000035738622 178232643 /nfs/dbraw/zinc/23/26/43/178232643.db2.gz FJLHEJSWSNBQTM-GHMZBOCLSA-N 0 1 249.379 4.370 20 0 BIADMN Cc1cc([C@H](C)N[C@H](C)c2ccco2)c(C)s1 ZINC000035738623 178258274 /nfs/dbraw/zinc/25/82/74/178258274.db2.gz FJLHEJSWSNBQTM-WDEREUQCSA-N 0 1 249.379 4.370 20 0 BIADMN CC[C@H](N[C@@H](C)c1ccco1)c1cccs1 ZINC000035738658 323670004 /nfs/dbraw/zinc/67/00/04/323670004.db2.gz KYIIYULOSLSJPG-QWRGUYRKSA-N 0 1 235.352 4.143 20 0 BIADMN CC[C@@H](N[C@@H](C)c1ccco1)c1cccs1 ZINC000035738659 323669534 /nfs/dbraw/zinc/66/95/34/323669534.db2.gz KYIIYULOSLSJPG-WDEREUQCSA-N 0 1 235.352 4.143 20 0 BIADMN CC[C@H](N[C@H](C)c1ccco1)c1cccs1 ZINC000035738660 323669766 /nfs/dbraw/zinc/66/97/66/323669766.db2.gz KYIIYULOSLSJPG-MNOVXSKESA-N 0 1 235.352 4.143 20 0 BIADMN CC[C@@H](N[C@H](C)c1ccco1)c1cccs1 ZINC000035738661 387581191 /nfs/dbraw/zinc/58/11/91/387581191.db2.gz KYIIYULOSLSJPG-GHMZBOCLSA-N 0 1 235.352 4.143 20 0 BIADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccco2)s1 ZINC000035738732 643454638 /nfs/dbraw/zinc/45/46/38/643454638.db2.gz QGKWVJUIYCZMOT-WDEREUQCSA-N 0 1 235.352 4.061 20 0 BIADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccco2)s1 ZINC000035738733 643454022 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ZINC000453307885 388040676 /nfs/dbraw/zinc/04/06/76/388040676.db2.gz CKVGRQXBIWSOIB-LLVKDONJSA-N 0 1 249.379 4.063 20 0 BIADMN CCc1ccc([C@H](C)NCc2cc(C)cs2)o1 ZINC000453307889 388041234 /nfs/dbraw/zinc/04/12/34/388041234.db2.gz CKVGRQXBIWSOIB-NSHDSACASA-N 0 1 249.379 4.063 20 0 BIADMN Cc1csc(CN[C@H](C)c2cc(C)c(C)o2)c1 ZINC000453315640 388043547 /nfs/dbraw/zinc/04/35/47/388043547.db2.gz JOEXTBOXKWPVJC-LLVKDONJSA-N 0 1 249.379 4.117 20 0 BIADMN Cc1csc(CN[C@@H](C)c2cc(C)c(C)o2)c1 ZINC000453315646 386399482 /nfs/dbraw/zinc/39/94/82/386399482.db2.gz JOEXTBOXKWPVJC-NSHDSACASA-N 0 1 249.379 4.117 20 0 BIADMN CCC(CC)SCc1ccc2nc(C)[nH]c2c1 ZINC000467211563 528807222 /nfs/dbraw/zinc/80/72/22/528807222.db2.gz MZUPPZYNNIZQBR-UHFFFAOYSA-N 0 1 248.395 4.293 20 0 BIADMN CCc1cccc(CN(C)[C@H](C)c2ccco2)c1 ZINC000469599336 529168243 /nfs/dbraw/zinc/16/82/43/529168243.db2.gz SOOOPRMGXDGBOW-CYBMUJFWSA-N 0 1 243.350 4.035 20 0 BIADMN CCc1cccc(CN(C)[C@@H](C)c2ccco2)c1 ZINC000469599337 529168672 /nfs/dbraw/zinc/16/86/72/529168672.db2.gz SOOOPRMGXDGBOW-ZDUSSCGKSA-N 0 1 243.350 4.035 20 0 BIADMN CCC(C)(C)N(C)Cc1ccsc1Cl ZINC000475345449 528539536 /nfs/dbraw/zinc/53/95/36/528539536.db2.gz ATEDGCRUOWSZRH-UHFFFAOYSA-N 0 1 231.792 4.022 20 0 BIADMN Cc1cccc2nc(-c3ccsc3Cl)[nH]c21 ZINC000478236952 225166592 /nfs/dbraw/zinc/16/65/92/225166592.db2.gz ZKNFZXTYCDRTBB-UHFFFAOYSA-N 0 1 248.738 4.253 20 0 BIADMN Cc1ccc2nc(-c3ccsc3Cl)[nH]c2c1 ZINC000478248014 225166798 /nfs/dbraw/zinc/16/67/98/225166798.db2.gz CHJDQBNDOGRNNX-UHFFFAOYSA-N 0 1 248.738 4.253 20 0 BIADMN Cc1ccc(CNCc2cccc(C(C)C)c2)o1 ZINC000479382844 534071798 /nfs/dbraw/zinc/07/17/98/534071798.db2.gz ASNPLGYQXWNHOA-UHFFFAOYSA-N 0 1 243.350 4.001 20 0 BIADMN Cc1ccoc1CNCc1cccc(C(C)C)c1 ZINC000479385325 225181384 /nfs/dbraw/zinc/18/13/84/225181384.db2.gz GONALYUODJVLGG-UHFFFAOYSA-N 0 1 243.350 4.001 20 0 BIADMN C[C@H](c1cccc(Cl)c1F)N1CCC[C@H]1C ZINC000480522667 534127375 /nfs/dbraw/zinc/12/73/75/534127375.db2.gz 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ATCNIQKTNBVZRX-NSHDSACASA-N 0 1 249.379 4.063 20 0 BIADMN CC(C)c1ccc(CN(C)Cc2ccoc2)cc1 ZINC000497463233 385107570 /nfs/dbraw/zinc/10/75/70/385107570.db2.gz ARKQRSTWPOEMSE-UHFFFAOYSA-N 0 1 243.350 4.035 20 0 BIADMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCCCC1 ZINC000497602994 385217056 /nfs/dbraw/zinc/21/70/56/385217056.db2.gz UDQYDVDFKUZBEA-JTQLQIEISA-N 0 1 241.737 4.026 20 0 BIADMN Fc1ccc2c(c1)nccc2NC1CCCCC1 ZINC000500498502 534505082 /nfs/dbraw/zinc/50/50/82/534505082.db2.gz ZKWCALRMEIGQIZ-UHFFFAOYSA-N 0 1 244.313 4.119 20 0 BIADMN Cc1cc([C@@H](C)NCc2ccccc2C)oc1C ZINC000502683296 226330659 /nfs/dbraw/zinc/33/06/59/226330659.db2.gz IVKALOGJHIRUJH-CYBMUJFWSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1cc([C@H](C)NCc2ccccc2C)oc1C ZINC000502683297 226330646 /nfs/dbraw/zinc/33/06/46/226330646.db2.gz IVKALOGJHIRUJH-ZDUSSCGKSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1cc([C@@H](C)NCc2ccc(C)cc2)oc1C ZINC000502687492 226330633 /nfs/dbraw/zinc/33/06/33/226330633.db2.gz QFQSXLUHMNMWCH-CYBMUJFWSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1cc([C@H](C)NCc2ccc(C)cc2)oc1C ZINC000502687493 226330574 /nfs/dbraw/zinc/33/05/74/226330574.db2.gz QFQSXLUHMNMWCH-ZDUSSCGKSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1cc([C@@H](C)NCc2cccc(C)c2)oc1C ZINC000502697730 226330833 /nfs/dbraw/zinc/33/08/33/226330833.db2.gz JHGLQRTZUXUXNH-CYBMUJFWSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1cc([C@H](C)NCc2cccc(C)c2)oc1C ZINC000502697731 226330826 /nfs/dbraw/zinc/33/08/26/226330826.db2.gz JHGLQRTZUXUXNH-ZDUSSCGKSA-N 0 1 243.350 4.056 20 0 BIADMN CCC[C@@H](NC1(C(F)F)CC1)C1CCCCC1 ZINC000503901121 529003661 /nfs/dbraw/zinc/00/36/61/529003661.db2.gz HFKOTHZZZRWUOI-GFCCVEGCSA-N 0 1 245.357 4.123 20 0 BIADMN CCC[C@H](NC1(C(F)F)CC1)C1CCCCC1 ZINC000503901122 528213350 /nfs/dbraw/zinc/21/33/50/528213350.db2.gz HFKOTHZZZRWUOI-LBPRGKRZSA-N 0 1 245.357 4.123 20 0 BIADMN CCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000503988754 529083146 /nfs/dbraw/zinc/08/31/46/529083146.db2.gz FOBCSBIYSQZXMD-GFCCVEGCSA-N 0 1 244.165 4.150 20 0 BIADMN CCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 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CC[C@H](NCc1ccco1)c1cc(C)ccc1C ZINC000527820493 387742538 /nfs/dbraw/zinc/74/25/38/387742538.db2.gz LJZMJGZHEBTKPD-INIZCTEOSA-N 0 1 243.350 4.137 20 0 BIADMN CC[C@@H](NCc1ccco1)c1cc(C)ccc1C ZINC000527820494 387743639 /nfs/dbraw/zinc/74/36/39/387743639.db2.gz LJZMJGZHEBTKPD-MRXNPFEDSA-N 0 1 243.350 4.137 20 0 BIADMN CC(C)c1cccc([C@@H](C)NCc2ccco2)c1 ZINC000527844946 387753512 /nfs/dbraw/zinc/75/35/12/387753512.db2.gz SMCSJBXXGPFQPD-CYBMUJFWSA-N 0 1 243.350 4.254 20 0 BIADMN CC(C)c1cccc([C@H](C)NCc2ccco2)c1 ZINC000527844947 387753183 /nfs/dbraw/zinc/75/31/83/387753183.db2.gz SMCSJBXXGPFQPD-ZDUSSCGKSA-N 0 1 243.350 4.254 20 0 BIADMN CC(C)c1cccc([C@@H](C)NCc2ccoc2)c1 ZINC000527849984 387755721 /nfs/dbraw/zinc/75/57/21/387755721.db2.gz JPQWRPQUTDKCCO-CYBMUJFWSA-N 0 1 243.350 4.254 20 0 BIADMN CC(C)c1cccc([C@H](C)NCc2ccoc2)c1 ZINC000527849987 387754718 /nfs/dbraw/zinc/75/47/18/387754718.db2.gz JPQWRPQUTDKCCO-ZDUSSCGKSA-N 0 1 243.350 4.254 20 0 BIADMN C/C(Cl)=C/CN1CCC[C@@H]1c1ccsc1 ZINC000528353284 387907832 /nfs/dbraw/zinc/90/78/32/387907832.db2.gz UJAMIWLOHOGWOU-GFSSTFBJSA-N 0 1 241.787 4.028 20 0 BIADMN C/C(Cl)=C/CN1CCC[C@H]1c1ccsc1 ZINC000528353286 387908309 /nfs/dbraw/zinc/90/83/09/387908309.db2.gz UJAMIWLOHOGWOU-JOTVYFQTSA-N 0 1 241.787 4.028 20 0 BIADMN C/C(Cl)=C\CN1CCC[C@@H]1c1ccsc1 ZINC000528353288 387908465 /nfs/dbraw/zinc/90/84/65/387908465.db2.gz UJAMIWLOHOGWOU-LHJMJDNXSA-N 0 1 241.787 4.028 20 0 BIADMN C/C(Cl)=C\CN1CCC[C@H]1c1ccsc1 ZINC000528353290 387908696 /nfs/dbraw/zinc/90/86/96/387908696.db2.gz UJAMIWLOHOGWOU-YCGNWBHESA-N 0 1 241.787 4.028 20 0 BIADMN C[C@@H](c1c(F)cccc1F)N(C)CC(C)(C)C ZINC000533278360 388045632 /nfs/dbraw/zinc/04/56/32/388045632.db2.gz PWFZYUNQTZORTG-JTQLQIEISA-N 0 1 241.325 4.004 20 0 BIADMN C[C@H](c1c(F)cccc1F)N(C)CC(C)(C)C ZINC000533278361 388046646 /nfs/dbraw/zinc/04/66/46/388046646.db2.gz PWFZYUNQTZORTG-SNVBAGLBSA-N 0 1 241.325 4.004 20 0 BIADMN CCc1ccc(CN(C)[C@H](C)c2ccco2)s1 ZINC000535072199 323165274 /nfs/dbraw/zinc/16/52/74/323165274.db2.gz GXUXGHRSPDYJMA-LLVKDONJSA-N 0 1 249.379 4.097 20 0 BIADMN CCc1ccc(CN(C)[C@@H](C)c2ccco2)s1 ZINC000535072200 323165354 /nfs/dbraw/zinc/16/53/54/323165354.db2.gz GXUXGHRSPDYJMA-NSHDSACASA-N 0 1 249.379 4.097 20 0 BIADMN CC1=CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000535211627 323168121 /nfs/dbraw/zinc/16/81/21/323168121.db2.gz NFFAOAKXSXPKFK-GFCCVEGCSA-N 0 1 235.758 4.053 20 0 BIADMN CC1=CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000535211650 323168134 /nfs/dbraw/zinc/16/81/34/323168134.db2.gz NFFAOAKXSXPKFK-LBPRGKRZSA-N 0 1 235.758 4.053 20 0 BIADMN CC1(C)CCN1Cc1c(Cl)oc2ccccc21 ZINC000537635449 324091891 /nfs/dbraw/zinc/09/18/91/324091891.db2.gz UPFJHDRGQJFGJC-UHFFFAOYSA-N 0 1 249.741 4.071 20 0 BIADMN CC[C@@H]1CC[C@@H](C)N1c1ccnc2ccccc21 ZINC000537873487 324106224 /nfs/dbraw/zinc/10/62/24/324106224.db2.gz QQMIXYMVNHVZDF-CHWSQXEVSA-N 0 1 240.350 4.002 20 0 BIADMN CC[C@H]1CC[C@@H](C)N1c1ccnc2ccccc21 ZINC000537873488 324106599 /nfs/dbraw/zinc/10/65/99/324106599.db2.gz QQMIXYMVNHVZDF-OLZOCXBDSA-N 0 1 240.350 4.002 20 0 BIADMN CC[C@@H]1CC[C@H](C)N1c1ccnc2ccccc21 ZINC000537873489 324106692 /nfs/dbraw/zinc/10/66/92/324106692.db2.gz QQMIXYMVNHVZDF-QWHCGFSZSA-N 0 1 240.350 4.002 20 0 BIADMN CC[C@H]1CC[C@H](C)N1c1ccnc2ccccc21 ZINC000537873490 324106659 /nfs/dbraw/zinc/10/66/59/324106659.db2.gz QQMIXYMVNHVZDF-STQMWFEESA-N 0 1 240.350 4.002 20 0 BIADMN CC1=CC[N@@H+](Cc2csc3ccccc23)CC1 ZINC000539825146 388781029 /nfs/dbraw/zinc/78/10/29/388781029.db2.gz MMRFNBJUTYICGU-UHFFFAOYSA-N 0 1 243.375 4.053 20 0 BIADMN Cc1ccc(CN[C@@H](C)c2c(C)cccc2C)o1 ZINC000545466026 325223662 /nfs/dbraw/zinc/22/36/62/325223662.db2.gz ZLWFYBCUFRIVHA-AWEZNQCLSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1ccc(CN[C@H](C)c2c(C)cccc2C)o1 ZINC000545466027 325223715 /nfs/dbraw/zinc/22/37/15/325223715.db2.gz ZLWFYBCUFRIVHA-CQSZACIVSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1ccoc1CN[C@@H](C)c1c(C)cccc1C ZINC000546174643 325270084 /nfs/dbraw/zinc/27/00/84/325270084.db2.gz FGJMRMFGRKYWNB-AWEZNQCLSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1ccoc1CN[C@H](C)c1c(C)cccc1C ZINC000546174644 325269936 /nfs/dbraw/zinc/26/99/36/325269936.db2.gz FGJMRMFGRKYWNB-CQSZACIVSA-N 0 1 243.350 4.056 20 0 BIADMN Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1ccco1 ZINC000546935128 325319572 /nfs/dbraw/zinc/31/95/72/325319572.db2.gz KMTGZOVJAUYONB-KBPBESRZSA-N 0 1 243.350 4.308 20 0 BIADMN Cc1cccc(C)c1[C@H](C)N[C@H](C)c1ccco1 ZINC000546935129 325318904 /nfs/dbraw/zinc/31/89/04/325318904.db2.gz KMTGZOVJAUYONB-KGLIPLIRSA-N 0 1 243.350 4.308 20 0 BIADMN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1ccco1 ZINC000546935130 325318730 /nfs/dbraw/zinc/31/87/30/325318730.db2.gz KMTGZOVJAUYONB-UONOGXRCSA-N 0 1 243.350 4.308 20 0 BIADMN Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1ccco1 ZINC000546935132 325318957 /nfs/dbraw/zinc/31/89/57/325318957.db2.gz KMTGZOVJAUYONB-ZIAGYGMSSA-N 0 1 243.350 4.308 20 0 BIADMN CC(C)c1cccc(CN[C@H](C)c2ccoc2)c1 ZINC000547831572 325406592 /nfs/dbraw/zinc/40/65/92/325406592.db2.gz OCJXGKNQAVIMHH-CYBMUJFWSA-N 0 1 243.350 4.254 20 0 BIADMN CC(C)c1cccc(CN[C@@H](C)c2ccoc2)c1 ZINC000547831574 325406222 /nfs/dbraw/zinc/40/62/22/325406222.db2.gz OCJXGKNQAVIMHH-ZDUSSCGKSA-N 0 1 243.350 4.254 20 0 BIADMN C[C@@H](c1ccc(F)c(Cl)c1)N1[C@H](C)C[C@@H]1C ZINC000548096175 388511220 /nfs/dbraw/zinc/51/12/20/388511220.db2.gz CGOFEAYYIOCHQU-AEJSXWLSSA-N 0 1 241.737 4.023 20 0 BIADMN C[C@@H](c1ccc(F)c(Cl)c1)N1[C@H](C)C[C@H]1C ZINC000548096176 388511283 /nfs/dbraw/zinc/51/12/83/388511283.db2.gz CGOFEAYYIOCHQU-BBBLOLIVSA-N 0 1 241.737 4.023 20 0 BIADMN C[C@H](c1ccc(F)c(Cl)c1)N1[C@H](C)C[C@@H]1C ZINC000548096177 388511193 /nfs/dbraw/zinc/51/11/93/388511193.db2.gz CGOFEAYYIOCHQU-KXUCPTDWSA-N 0 1 241.737 4.023 20 0 BIADMN C[C@H](c1ccc(F)c(Cl)c1)N1[C@H](C)C[C@H]1C ZINC000548096178 388511213 /nfs/dbraw/zinc/51/12/13/388511213.db2.gz CGOFEAYYIOCHQU-OPRDCNLKSA-N 0 1 241.737 4.023 20 0 BIADMN Cc1cc(N2CCCCCC2)ccc1NC(C)C ZINC000552317559 325620483 /nfs/dbraw/zinc/62/04/83/325620483.db2.gz COPTUTIJOKAOQT-UHFFFAOYSA-N 0 1 246.398 4.196 20 0 BIADMN CCCN(Cc1c(F)cccc1Cl)C(C)C ZINC000553836663 388791471 /nfs/dbraw/zinc/79/14/71/388791471.db2.gz QSRPVXQQCZBKAI-UHFFFAOYSA-N 0 1 243.753 4.100 20 0 BIADMN CC(C)C[N@@H+](Cc1sccc1Cl)C1CC1 ZINC000558832971 398218960 /nfs/dbraw/zinc/21/89/60/398218960.db2.gz SOOGRMCYTCOTEE-UHFFFAOYSA-N 0 1 243.803 4.022 20 0 BIADMN CC(C)C[C@@H](C)[N@@H+](C)Cc1ccccc1Cl ZINC000561059704 384470107 /nfs/dbraw/zinc/47/01/07/384470107.db2.gz AITTWBGGLCKIAK-GFCCVEGCSA-N 0 1 239.790 4.206 20 0 BIADMN CC(C)C[C@H](C)[N@@H+](C)Cc1ccccc1Cl ZINC000561059716 384469606 /nfs/dbraw/zinc/46/96/06/384469606.db2.gz AITTWBGGLCKIAK-LBPRGKRZSA-N 0 1 239.790 4.206 20 0 BIADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccoc2)ccc1F ZINC000583794707 357948287 /nfs/dbraw/zinc/94/82/87/357948287.db2.gz OODWOELQMPNBKE-NEPJUHHUSA-N 0 1 247.313 4.139 20 0 BIADMN Cc1cc([C@@H](C)N[C@H](C)c2ccoc2)ccc1F ZINC000583794708 357948063 /nfs/dbraw/zinc/94/80/63/357948063.db2.gz OODWOELQMPNBKE-VXGBXAGGSA-N 0 1 247.313 4.139 20 0 BIADMN Cc1cc(C)nc(Nc2ccc(Cl)cc2)c1 ZINC000584628917 358298603 /nfs/dbraw/zinc/29/86/03/358298603.db2.gz ZDPPKYKELNSGDS-UHFFFAOYSA-N 0 1 232.714 4.095 20 0 BIADMN CCN(Cc1ccoc1)[C@H](C)c1cccc(F)c1 ZINC000588236693 346648943 /nfs/dbraw/zinc/64/89/43/346648943.db2.gz ZFNNNMFEQGNKBU-GFCCVEGCSA-N 0 1 247.313 4.002 20 0 BIADMN CCN(Cc1ccoc1)[C@@H](C)c1cccc(F)c1 ZINC000588236694 346648442 /nfs/dbraw/zinc/64/84/42/346648442.db2.gz ZFNNNMFEQGNKBU-LBPRGKRZSA-N 0 1 247.313 4.002 20 0 BIADMN CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1ccoc1 ZINC000588709058 344175329 /nfs/dbraw/zinc/17/53/29/344175329.db2.gz RIGHPHMSMSZCHW-INIZCTEOSA-N 0 1 243.350 4.253 20 0 BIADMN CC[C@H](c1ccccc1)[N@@H+](CC)Cc1ccoc1 ZINC000588709060 344175569 /nfs/dbraw/zinc/17/55/69/344175569.db2.gz RIGHPHMSMSZCHW-MRXNPFEDSA-N 0 1 243.350 4.253 20 0 BIADMN Cc1ccc2nc(S[C@@H]3C=CCCC3)[nH]c2c1 ZINC000590385919 347058154 /nfs/dbraw/zinc/05/81/54/347058154.db2.gz YMLKHEVZHRUSDP-LLVKDONJSA-N 0 1 244.363 4.072 20 0 BIADMN Cc1ccc2nc(S[C@H]3C=CCCC3)[nH]c2c1 ZINC000590385921 347058237 /nfs/dbraw/zinc/05/82/37/347058237.db2.gz YMLKHEVZHRUSDP-NSHDSACASA-N 0 1 244.363 4.072 20 0 BIADMN Cc1ccc2nc(S[C@@H](C)C(C)C)[nH]c2c1 ZINC000591038112 490120695 /nfs/dbraw/zinc/12/06/95/490120695.db2.gz OLROGTKUEZXPEK-JTQLQIEISA-N 0 1 234.368 4.008 20 0 BIADMN Cc1ccc2nc(S[C@H](C)C(C)C)[nH]c2c1 ZINC000591038113 490120635 /nfs/dbraw/zinc/12/06/35/490120635.db2.gz OLROGTKUEZXPEK-SNVBAGLBSA-N 0 1 234.368 4.008 20 0 BIADMN CCCCCN(C)[C@H](C)c1c(F)cccc1F ZINC000605149993 350259591 /nfs/dbraw/zinc/25/95/91/350259591.db2.gz CJJKBPVHIJCDAU-LLVKDONJSA-N 0 1 241.325 4.148 20 0 BIADMN CCCCCN(C)[C@@H](C)c1c(F)cccc1F ZINC000605149994 350259424 /nfs/dbraw/zinc/25/94/24/350259424.db2.gz CJJKBPVHIJCDAU-NSHDSACASA-N 0 1 241.325 4.148 20 0 BIADMN CC(C)=CCN(C)[C@H](C)c1ccccc1Cl ZINC000613485173 363455673 /nfs/dbraw/zinc/45/56/73/363455673.db2.gz RFSPTVADJVTTRQ-GFCCVEGCSA-N 0 1 237.774 4.299 20 0 BIADMN CC(C)=CCN(C)[C@@H](C)c1ccccc1Cl ZINC000613485174 363455260 /nfs/dbraw/zinc/45/52/60/363455260.db2.gz RFSPTVADJVTTRQ-LBPRGKRZSA-N 0 1 237.774 4.299 20 0 BIADMN CC(C)CCN(C)[C@H](C)c1c(F)cccc1F ZINC000613878393 363676449 /nfs/dbraw/zinc/67/64/49/363676449.db2.gz WUSZQMAPWYSMPW-LLVKDONJSA-N 0 1 241.325 4.004 20 0 BIADMN CC(C)CCN(C)[C@@H](C)c1c(F)cccc1F ZINC000613878399 363676949 /nfs/dbraw/zinc/67/69/49/363676949.db2.gz WUSZQMAPWYSMPW-NSHDSACASA-N 0 1 241.325 4.004 20 0 BIADMN C[C@H](c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000615453965 367903815 /nfs/dbraw/zinc/90/38/15/367903815.db2.gz HSPDVLOVJFWYPE-SECBINFHSA-N 0 1 244.165 4.150 20 0 BIADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000615453966 367903773 /nfs/dbraw/zinc/90/37/73/367903773.db2.gz HSPDVLOVJFWYPE-VIFPVBQESA-N 0 1 244.165 4.150 20 0 BIADMN C[C@H](c1ccc(Cl)cc1Cl)N1CCCC1 ZINC000615454332 367903681 /nfs/dbraw/zinc/90/36/81/367903681.db2.gz PFXKJKZQGVTCKF-SECBINFHSA-N 0 1 244.165 4.150 20 0 BIADMN C[C@@H](c1ccc(Cl)cc1Cl)N1CCCC1 ZINC000615454333 367905082 /nfs/dbraw/zinc/90/50/82/367905082.db2.gz PFXKJKZQGVTCKF-VIFPVBQESA-N 0 1 244.165 4.150 20 0 BIADMN Clc1ccc2c(c1)CN(CC1CCCCC1)C2 ZINC000630343282 364066348 /nfs/dbraw/zinc/06/63/48/364066348.db2.gz ITBRUVVFNKWRFV-UHFFFAOYSA-N 0 1 249.785 4.236 20 0 BIADMN Clc1ccc2c(c1)C[N@H+](CC1CCCCC1)C2 ZINC000630343282 364066345 /nfs/dbraw/zinc/06/63/45/364066345.db2.gz ITBRUVVFNKWRFV-UHFFFAOYSA-N 0 1 249.785 4.236 20 0 BIADMN Clc1ccc2c(c1)CN(CCC1CCCC1)C2 ZINC000630343911 364068613 /nfs/dbraw/zinc/06/86/13/364068613.db2.gz XIDFALIMGMXQDT-UHFFFAOYSA-N 0 1 249.785 4.236 20 0 BIADMN Cc1ccc(CN[C@H](C)c2ccsc2)c(F)c1 ZINC000631129101 364534561 /nfs/dbraw/zinc/53/45/61/364534561.db2.gz VDHNXYWQNITAKS-LLVKDONJSA-N 0 1 249.354 4.046 20 0 BIADMN Cc1ccc(CN[C@@H](C)c2ccsc2)c(F)c1 ZINC000631129102 364534770 /nfs/dbraw/zinc/53/47/70/364534770.db2.gz VDHNXYWQNITAKS-NSHDSACASA-N 0 1 249.354 4.046 20 0 BIADMN CCC[C@H](NCc1ccc(C)o1)c1ccsc1 ZINC000631730256 372535162 /nfs/dbraw/zinc/53/51/62/372535162.db2.gz PWIQSEPIEKMQTH-AWEZNQCLSA-N 0 1 249.379 4.281 20 0 BIADMN CCC[C@@H](NCc1ccc(C)o1)c1ccsc1 ZINC000631730260 372535264 /nfs/dbraw/zinc/53/52/64/372535264.db2.gz PWIQSEPIEKMQTH-CQSZACIVSA-N 0 1 249.379 4.281 20 0 BIADMN CCC[C@H](C)N(C)Cc1c(F)cccc1Cl ZINC000642253498 362997452 /nfs/dbraw/zinc/99/74/52/362997452.db2.gz QDUCAXVCEXJPGN-JTQLQIEISA-N 0 1 243.753 4.100 20 0 BIADMN CCC[C@@H](C)N(C)Cc1c(F)cccc1Cl ZINC000642253499 362997334 /nfs/dbraw/zinc/99/73/34/362997334.db2.gz QDUCAXVCEXJPGN-SNVBAGLBSA-N 0 1 243.753 4.100 20 0 BIADMN CCN(CC=C(C)C)Cc1ccccc1Cl ZINC000642331041 363366874 /nfs/dbraw/zinc/36/68/74/363366874.db2.gz BIIPSFLEQQWCKR-UHFFFAOYSA-N 0 1 237.774 4.128 20 0 BIADMN CC[C@H](N[C@H](C)c1ccoc1)c1ccccc1F ZINC000652249823 411180340 /nfs/dbraw/zinc/18/03/40/411180340.db2.gz ZRJAZUWAVHSNNG-ABAIWWIYSA-N 0 1 247.313 4.221 20 0 BIADMN CC[C@H](N[C@@H](C)c1ccoc1)c1ccccc1F ZINC000652249824 411180347 /nfs/dbraw/zinc/18/03/47/411180347.db2.gz ZRJAZUWAVHSNNG-NHYWBVRUSA-N 0 1 247.313 4.221 20 0 BIADMN CC[C@@H](N[C@H](C)c1ccoc1)c1ccccc1F ZINC000655803335 411518243 /nfs/dbraw/zinc/51/82/43/411518243.db2.gz ZRJAZUWAVHSNNG-IAQYHMDHSA-N 0 1 247.313 4.221 20 0 BIADMN CC[C@@H](N[C@@H](C)c1ccoc1)c1ccccc1F ZINC000655803339 411518797 /nfs/dbraw/zinc/51/87/97/411518797.db2.gz ZRJAZUWAVHSNNG-XHDPSFHLSA-N 0 1 247.313 4.221 20 0 BIADMN Cc1cc([C@@H](C)N[C@H](C)c2ccsc2)oc1C ZINC000669851000 487885425 /nfs/dbraw/zinc/88/54/25/487885425.db2.gz RBHIXWKEPGEWOJ-GHMZBOCLSA-N 0 1 249.379 4.370 20 0 BIADMN Cc1cc([C@H](C)N[C@H](C)c2ccsc2)oc1C ZINC000669851001 487885344 /nfs/dbraw/zinc/88/53/44/487885344.db2.gz RBHIXWKEPGEWOJ-MNOVXSKESA-N 0 1 249.379 4.370 20 0 BIADMN Cc1cc([C@H](C)N[C@@H](C)c2ccsc2)oc1C ZINC000669851002 487885196 /nfs/dbraw/zinc/88/51/96/487885196.db2.gz RBHIXWKEPGEWOJ-QWRGUYRKSA-N 0 1 249.379 4.370 20 0 BIADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccsc2)oc1C ZINC000669851003 487885285 /nfs/dbraw/zinc/88/52/85/487885285.db2.gz RBHIXWKEPGEWOJ-WDEREUQCSA-N 0 1 249.379 4.370 20 0 BIADMN CCc1ccc([C@@H](C)N[C@H](C)c2ccsc2)o1 ZINC000669851016 487884896 /nfs/dbraw/zinc/88/48/96/487884896.db2.gz RQLQUHQEFMUEIC-GHMZBOCLSA-N 0 1 249.379 4.315 20 0 BIADMN CCc1ccc([C@H](C)N[C@H](C)c2ccsc2)o1 ZINC000669851017 487884712 /nfs/dbraw/zinc/88/47/12/487884712.db2.gz RQLQUHQEFMUEIC-MNOVXSKESA-N 0 1 249.379 4.315 20 0 BIADMN CCc1ccc([C@H](C)N[C@@H](C)c2ccsc2)o1 ZINC000669851018 487884589 /nfs/dbraw/zinc/88/45/89/487884589.db2.gz RQLQUHQEFMUEIC-QWRGUYRKSA-N 0 1 249.379 4.315 20 0 BIADMN CCc1ccc([C@@H](C)N[C@@H](C)c2ccsc2)o1 ZINC000669851019 487884977 /nfs/dbraw/zinc/88/49/77/487884977.db2.gz RQLQUHQEFMUEIC-WDEREUQCSA-N 0 1 249.379 4.315 20 0 BIADMN Cc1cccc2nc(-c3cscc3Cl)[nH]c21 ZINC000677516459 488062437 /nfs/dbraw/zinc/06/24/37/488062437.db2.gz BZTBMROCRYLQTE-UHFFFAOYSA-N 0 1 248.738 4.253 20 0 BIADMN Cc1ccc2nc(-c3cscc3Cl)[nH]c2c1 ZINC000677517578 488062224 /nfs/dbraw/zinc/06/22/24/488062224.db2.gz OHHKFBIQNODWJL-UHFFFAOYSA-N 0 1 248.738 4.253 20 0 BIADMN C[C@H](c1cccc(F)c1)N(C)Cc1ccsc1 ZINC000677882359 488146201 /nfs/dbraw/zinc/14/62/01/488146201.db2.gz QHXKVEUNNUQGJY-LLVKDONJSA-N 0 1 249.354 4.080 20 0 BIADMN C[C@@H](c1cccc(F)c1)N(C)Cc1ccsc1 ZINC000677882360 488146258 /nfs/dbraw/zinc/14/62/58/488146258.db2.gz QHXKVEUNNUQGJY-NSHDSACASA-N 0 1 249.354 4.080 20 0 BIADMN CCCCN(CC)Cc1cscc1Cl ZINC000678120568 488200020 /nfs/dbraw/zinc/20/00/20/488200020.db2.gz CALPUHVTWKOAIX-UHFFFAOYSA-N 0 1 231.792 4.024 20 0 BIADMN CCC[C@@H](C)N(C)Cc1cscc1Cl ZINC000678140775 488205485 /nfs/dbraw/zinc/20/54/85/488205485.db2.gz LQORLHYJLOEJLM-SECBINFHSA-N 0 1 231.792 4.022 20 0 BIADMN CCC[C@H](C)N(C)Cc1cscc1Cl ZINC000678140776 488204772 /nfs/dbraw/zinc/20/47/72/488204772.db2.gz LQORLHYJLOEJLM-VIFPVBQESA-N 0 1 231.792 4.022 20 0 BIADMN CC(C)CN(Cc1cscc1Cl)C1CC1 ZINC000678153618 488209299 /nfs/dbraw/zinc/20/92/99/488209299.db2.gz WZYGEYOLMJKMJM-UHFFFAOYSA-N 0 1 243.803 4.022 20 0 BIADMN c1ccc2c(c1)CN(Cc1ccccc1C1CC1)C2 ZINC000678240056 488224051 /nfs/dbraw/zinc/22/40/51/488224051.db2.gz DVCLSAKIFGUAQJ-UHFFFAOYSA-N 0 1 249.357 4.080 20 0 BIADMN C[C@@H](N(C)Cc1cscc1Cl)C1(C)CC1 ZINC000678333510 488240934 /nfs/dbraw/zinc/24/09/34/488240934.db2.gz CJLHLDCFUZNJSU-SECBINFHSA-N 0 1 243.803 4.022 20 0 BIADMN C[C@H](N(C)Cc1cscc1Cl)C1(C)CC1 ZINC000678333514 488241310 /nfs/dbraw/zinc/24/13/10/488241310.db2.gz CJLHLDCFUZNJSU-VIFPVBQESA-N 0 1 243.803 4.022 20 0 BIADMN Cc1cc([C@H](C)N[C@H](C)c2ccoc2)ccc1F ZINC000678595427 488269925 /nfs/dbraw/zinc/26/99/25/488269925.db2.gz OODWOELQMPNBKE-NWDGAFQWSA-N 0 1 247.313 4.139 20 0 BIADMN Cc1cc([C@H](C)N[C@@H](C)c2ccoc2)ccc1F ZINC000678595434 488269895 /nfs/dbraw/zinc/26/98/95/488269895.db2.gz OODWOELQMPNBKE-RYUDHWBXSA-N 0 1 247.313 4.139 20 0 BIADMN CCN(CCC1CC1)Cc1cscc1Cl ZINC000680649786 487627738 /nfs/dbraw/zinc/62/77/38/487627738.db2.gz FRJRUZACIMEUBH-UHFFFAOYSA-N 0 1 243.803 4.024 20 0 BIADMN CCC[C@H](NCc1ccoc1C)c1ccsc1 ZINC000682376036 487943948 /nfs/dbraw/zinc/94/39/48/487943948.db2.gz XOFOSMJFQCOWAH-AWEZNQCLSA-N 0 1 249.379 4.281 20 0 BIADMN CCC[C@@H](NCc1ccoc1C)c1ccsc1 ZINC000682376037 487944077 /nfs/dbraw/zinc/94/40/77/487944077.db2.gz XOFOSMJFQCOWAH-CQSZACIVSA-N 0 1 249.379 4.281 20 0 BIADMN CC(C)(NC1CCC2(CCCC2)CC1)C(F)F ZINC000685845762 487586837 /nfs/dbraw/zinc/58/68/37/487586837.db2.gz QVYAZVSSDWBZNK-UHFFFAOYSA-N 0 1 245.357 4.123 20 0 BIADMN Cc1coc(CN[C@H](C)c2cc(C)sc2C)c1 ZINC000718034348 712737326 /nfs/dbraw/zinc/73/73/26/712737326.db2.gz CYVNZYPYKUZKEK-LLVKDONJSA-N 0 1 249.379 4.117 20 0 BIADMN Cc1coc(CN[C@@H](C)c2cc(C)sc2C)c1 ZINC000718034349 712737628 /nfs/dbraw/zinc/73/76/28/712737628.db2.gz CYVNZYPYKUZKEK-NSHDSACASA-N 0 1 249.379 4.117 20 0 BIADMN Cc1coc(CN[C@H](C)c2ccc(Cl)cc2)c1 ZINC000718057813 712740260 /nfs/dbraw/zinc/74/02/60/712740260.db2.gz JZWRSXOSOIUVPR-LLVKDONJSA-N 0 1 249.741 4.092 20 0 BIADMN Cc1coc(CN[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000718057815 712740232 /nfs/dbraw/zinc/74/02/32/712740232.db2.gz JZWRSXOSOIUVPR-NSHDSACASA-N 0 1 249.741 4.092 20 0 BIADMN Cc1ccc(CN(C/C=C\Cl)C2CC2)cc1C ZINC000741054209 585110027 /nfs/dbraw/zinc/11/00/27/585110027.db2.gz JWGOCRRFIVFANX-BAQGIRSFSA-N 0 1 249.785 4.020 20 0 BIADMN Cc1cccc([C@@H]2CCC[N@H+]2C/C=C/Cl)c1C ZINC000741805557 585119706 /nfs/dbraw/zinc/11/97/06/585119706.db2.gz KIWBQELBIVBFEH-BOSPYUDASA-N 0 1 249.785 4.193 20 0 BIADMN Cc1cccc([C@H]2CCC[N@H+]2C/C=C/Cl)c1C ZINC000741805560 585119626 /nfs/dbraw/zinc/11/96/26/585119626.db2.gz KIWBQELBIVBFEH-FUVBFXSKSA-N 0 1 249.785 4.193 20 0 BIADMN Cc1cccc([C@H]2CCC[N@H+]2C/C=C\Cl)c1C ZINC000741805563 585119683 /nfs/dbraw/zinc/11/96/83/585119683.db2.gz KIWBQELBIVBFEH-HMZQOCAUSA-N 0 1 249.785 4.193 20 0 BIADMN Cc1cccc([C@@H]2CCC[N@H+]2C/C=C\Cl)c1C ZINC000741805565 585119513 /nfs/dbraw/zinc/11/95/13/585119513.db2.gz KIWBQELBIVBFEH-ZHMISCPASA-N 0 1 249.785 4.193 20 0 BIADMN Cc1c2ccccc2oc1[C@@H](C)NC/C=C/Cl ZINC000754624625 585288332 /nfs/dbraw/zinc/28/83/32/585288332.db2.gz GMYNMOUAMKDNQJ-AYLMVEPYSA-N 0 1 249.741 4.144 20 0 BIADMN Cc1c2ccccc2oc1[C@H](C)NC/C=C/Cl ZINC000754624626 585288384 /nfs/dbraw/zinc/28/83/84/585288384.db2.gz GMYNMOUAMKDNQJ-BWNDKRECSA-N 0 1 249.741 4.144 20 0 BIADMN Cc1c2ccccc2oc1[C@H](C)NC/C=C\Cl ZINC000754624627 585288373 /nfs/dbraw/zinc/28/83/73/585288373.db2.gz GMYNMOUAMKDNQJ-OFSNVTPPSA-N 0 1 249.741 4.144 20 0 BIADMN Cc1c2ccccc2oc1[C@@H](C)NC/C=C\Cl ZINC000754624629 585288203 /nfs/dbraw/zinc/28/82/03/585288203.db2.gz GMYNMOUAMKDNQJ-UIJKISKDSA-N 0 1 249.741 4.144 20 0 BIADMN CCCCN(C)Cc1cccc(Cl)c1Cl ZINC000757511082 585339777 /nfs/dbraw/zinc/33/97/77/585339777.db2.gz IAPCWBXXTSIWLU-UHFFFAOYSA-N 0 1 246.181 4.225 20 0 BIADMN CCCN(CCF)[C@H](C)c1cc2ccccc2o1 ZINC000759330086 585367886 /nfs/dbraw/zinc/36/78/86/585367886.db2.gz CBUIGDZCKINWOI-GFCCVEGCSA-N 0 1 249.329 4.175 20 0 BIADMN CCCN(CCF)[C@@H](C)c1cc2ccccc2o1 ZINC000759330087 585367742 /nfs/dbraw/zinc/36/77/42/585367742.db2.gz CBUIGDZCKINWOI-LBPRGKRZSA-N 0 1 249.329 4.175 20 0 BIADMN C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc[nH]1 ZINC000760251566 585387685 /nfs/dbraw/zinc/38/76/85/585387685.db2.gz YHTHVNSLXHFDIN-GHMZBOCLSA-N 0 1 248.757 4.080 20 0 BIADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccccc1Cl ZINC000760251568 585387784 /nfs/dbraw/zinc/38/77/84/585387784.db2.gz YHTHVNSLXHFDIN-MNOVXSKESA-N 0 1 248.757 4.080 20 0 BIADMN C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc[nH]1 ZINC000760251570 585387661 /nfs/dbraw/zinc/38/76/61/585387661.db2.gz YHTHVNSLXHFDIN-QWRGUYRKSA-N 0 1 248.757 4.080 20 0 BIADMN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc[nH]1 ZINC000760251571 585387806 /nfs/dbraw/zinc/38/78/06/585387806.db2.gz YHTHVNSLXHFDIN-WDEREUQCSA-N 0 1 248.757 4.080 20 0 BIADMN Cl/C=C(/Cl)CN(C1CC1)C1CCCCC1 ZINC000763494575 585449199 /nfs/dbraw/zinc/44/91/99/585449199.db2.gz WCUPKHOOLFQQSX-CSKARUKUSA-N 0 1 248.197 4.103 20 0 BIADMN Cl/C=C(\Cl)CN(C1CC1)C1CCCCC1 ZINC000763494576 585449060 /nfs/dbraw/zinc/44/90/60/585449060.db2.gz WCUPKHOOLFQQSX-NTMALXAHSA-N 0 1 248.197 4.103 20 0 BIADMN Cc1cccc(F)c1CN[C@H](C)c1ccsc1 ZINC000766212625 585498958 /nfs/dbraw/zinc/49/89/58/585498958.db2.gz IWSJNJSSCXUHPF-LLVKDONJSA-N 0 1 249.354 4.046 20 0 BIADMN Cc1cccc(F)c1CN[C@@H](C)c1ccsc1 ZINC000766212634 585498963 /nfs/dbraw/zinc/49/89/63/585498963.db2.gz IWSJNJSSCXUHPF-NSHDSACASA-N 0 1 249.354 4.046 20 0 BIADMN Cc1cccc(F)c1CN[C@H](C)c1cccs1 ZINC000766216620 585499181 /nfs/dbraw/zinc/49/91/81/585499181.db2.gz OROCXFLAOJIZIE-LLVKDONJSA-N 0 1 249.354 4.046 20 0 BIADMN Cc1cccc(F)c1CN[C@@H](C)c1cccs1 ZINC000766216621 585499127 /nfs/dbraw/zinc/49/91/27/585499127.db2.gz OROCXFLAOJIZIE-NSHDSACASA-N 0 1 249.354 4.046 20 0 BIADMN CCN(c1ccc(N[C@H](C)C2CC2)cc1)C(C)C ZINC000776797041 585705808 /nfs/dbraw/zinc/70/58/08/585705808.db2.gz CYSGQJGHSJWIRP-CYBMUJFWSA-N 0 1 246.398 4.132 20 0 BIADMN CCN(c1ccc(N[C@@H](C)C2CC2)cc1)C(C)C ZINC000776797042 585705747 /nfs/dbraw/zinc/70/57/47/585705747.db2.gz CYSGQJGHSJWIRP-ZDUSSCGKSA-N 0 1 246.398 4.132 20 0 BIADMN Cc1ccoc1CNCc1ccccc1C(C)C ZINC000782539245 585819907 /nfs/dbraw/zinc/81/99/07/585819907.db2.gz IXLYFQFQKRFHKZ-UHFFFAOYSA-N 0 1 243.350 4.001 20 0 BIADMN Cc1ccc(CNCc2ccccc2C(C)C)o1 ZINC000782540556 585819945 /nfs/dbraw/zinc/81/99/45/585819945.db2.gz WCMFKYBQVXCCJO-UHFFFAOYSA-N 0 1 243.350 4.001 20 0 BIADMN CN(C/C=C/Cl)Cc1ccc2ccccc2c1 ZINC000807267559 586431110 /nfs/dbraw/zinc/43/11/10/586431110.db2.gz CYILUGCOPLZGAG-RUDMXATFSA-N 0 1 245.753 4.024 20 0 BIADMN CN(C/C=C\Cl)Cc1ccc2ccccc2c1 ZINC000807267560 586430893 /nfs/dbraw/zinc/43/08/93/586430893.db2.gz CYILUGCOPLZGAG-WTKPLQERSA-N 0 1 245.753 4.024 20 0 BIADMN Clc1cccc2c1CN(C[C@@H]1CC=CCC1)C2 ZINC000809772125 586518973 /nfs/dbraw/zinc/51/89/73/586518973.db2.gz UKPWDOHCSBNAHJ-GFCCVEGCSA-N 0 1 247.769 4.012 20 0 BIADMN Clc1cccc2c1CN(C[C@H]1CC=CCC1)C2 ZINC000809772126 586519436 /nfs/dbraw/zinc/51/94/36/586519436.db2.gz UKPWDOHCSBNAHJ-LBPRGKRZSA-N 0 1 247.769 4.012 20 0 BIADMN CC(C)N(C/C=C/Cl)[C@H](C)c1ccsc1 ZINC000817288043 586793284 /nfs/dbraw/zinc/79/32/84/586793284.db2.gz TXGYUAPWSBRNTB-DUMNWFOQSA-N 0 1 243.803 4.272 20 0 BIADMN CC(C)N(C/C=C/Cl)[C@@H](C)c1ccsc1 ZINC000817288047 586792744 /nfs/dbraw/zinc/79/27/44/586792744.db2.gz TXGYUAPWSBRNTB-MALLOTDXSA-N 0 1 243.803 4.272 20 0 BIADMN CC(C)N(C/C=C\Cl)[C@@H](C)c1ccsc1 ZINC000817288048 586792323 /nfs/dbraw/zinc/79/23/23/586792323.db2.gz TXGYUAPWSBRNTB-QZPNVGJNSA-N 0 1 243.803 4.272 20 0 BIADMN CC(C)N(C/C=C\Cl)[C@H](C)c1ccsc1 ZINC000817288049 586792190 /nfs/dbraw/zinc/79/21/90/586792190.db2.gz TXGYUAPWSBRNTB-VLWUPBBWSA-N 0 1 243.803 4.272 20 0 BIADMN CC(C)N(Cc1ccoc1)[C@H](C)c1ccsc1 ZINC000817416285 586802797 /nfs/dbraw/zinc/80/27/97/586802797.db2.gz YELAUTAXMLAPRC-GFCCVEGCSA-N 0 1 249.379 4.313 20 0 BIADMN CC(C)N(Cc1ccoc1)[C@@H](C)c1ccsc1 ZINC000817416286 586803017 /nfs/dbraw/zinc/80/30/17/586803017.db2.gz YELAUTAXMLAPRC-LBPRGKRZSA-N 0 1 249.379 4.313 20 0 BIADMN Cc1occc1CNCc1ccccc1C(C)C ZINC000840940129 587930861 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