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@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000036921448 330313793 /nfs/dbraw/zinc/31/37/93/330313793.db2.gz DSCROFJIAMDSAM-UGSOOPFHSA-N 1 0 298.817 5.014 20 30 CKEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000036921449 330313843 /nfs/dbraw/zinc/31/38/43/330313843.db2.gz DSCROFJIAMDSAM-SCLBCKFNSA-N 1 0 298.817 5.014 20 30 CKEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000036921450 330313871 /nfs/dbraw/zinc/31/38/71/330313871.db2.gz DSCROFJIAMDSAM-ACJLOTCBSA-N 1 0 298.817 5.014 20 30 CKEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000036921451 330313915 /nfs/dbraw/zinc/31/39/15/330313915.db2.gz DSCROFJIAMDSAM-FZKQIMNGSA-N 1 0 298.817 5.014 20 30 CKEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000036979256 333448625 /nfs/dbraw/zinc/44/86/25/333448625.db2.gz VAYGWXAIIJNLOA-SCLBCKFNSA-N 1 0 298.817 5.014 20 30 CKEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000036979259 333448680 /nfs/dbraw/zinc/44/86/80/333448680.db2.gz VAYGWXAIIJNLOA-FZKQIMNGSA-N 1 0 298.817 5.014 20 30 CKEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000037272153 333528104 /nfs/dbraw/zinc/52/81/04/333528104.db2.gz SFUWVEREPLNXFH-UGSOOPFHSA-N 1 0 298.817 5.014 20 30 CKEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000037272155 333528031 /nfs/dbraw/zinc/52/80/31/333528031.db2.gz SFUWVEREPLNXFH-SCLBCKFNSA-N 1 0 298.817 5.014 20 30 CKEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000037272158 333528024 /nfs/dbraw/zinc/52/80/24/333528024.db2.gz SFUWVEREPLNXFH-ACJLOTCBSA-N 1 0 298.817 5.014 20 30 CKEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000037283072 333530650 /nfs/dbraw/zinc/53/06/50/333530650.db2.gz RCKYYNRTBVLQLW-SCLBCKFNSA-N 1 0 298.817 5.014 20 30 CKEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000037283073 333530608 /nfs/dbraw/zinc/53/06/08/333530608.db2.gz RCKYYNRTBVLQLW-ACJLOTCBSA-N 1 0 298.817 5.014 20 30 CKEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000037283074 333530623 /nfs/dbraw/zinc/53/06/23/333530623.db2.gz RCKYYNRTBVLQLW-FZKQIMNGSA-N 1 0 298.817 5.014 20 30 CKEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000090664799 330394714 /nfs/dbraw/zinc/39/47/14/330394714.db2.gz BVNIQSNYXYMSLG-KSSFIOAISA-N 1 0 298.817 5.036 20 30 CKEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000090664800 330394712 /nfs/dbraw/zinc/39/47/12/330394712.db2.gz BVNIQSNYXYMSLG-KDOFPFPSSA-N 1 0 298.817 5.036 20 30 CKEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000090664801 330394678 /nfs/dbraw/zinc/39/46/78/330394678.db2.gz BVNIQSNYXYMSLG-KBXCAEBGSA-N 1 0 298.817 5.036 20 30 CKEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000090664802 330394565 /nfs/dbraw/zinc/39/45/65/330394565.db2.gz BVNIQSNYXYMSLG-RDTXWAMCSA-N 1 0 298.817 5.036 20 30 CKEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000090665381 330394707 /nfs/dbraw/zinc/39/47/07/330394707.db2.gz GMYUCKFGHZYURE-KSSFIOAISA-N 1 0 298.817 5.036 20 30 CKEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000090665382 330394562 /nfs/dbraw/zinc/39/45/62/330394562.db2.gz GMYUCKFGHZYURE-KDOFPFPSSA-N 1 0 298.817 5.036 20 30 CKEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000090665383 330394606 /nfs/dbraw/zinc/39/46/06/330394606.db2.gz GMYUCKFGHZYURE-KBXCAEBGSA-N 1 0 298.817 5.036 20 30 CKEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc(Cl)c1 ZINC000090665384 330394572 /nfs/dbraw/zinc/39/45/72/330394572.db2.gz GMYUCKFGHZYURE-RDTXWAMCSA-N 1 0 298.817 5.036 20 30 CKEDRO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1 ZINC000090665589 330394546 /nfs/dbraw/zinc/39/45/46/330394546.db2.gz UKDDKDFPXDYJGN-PMACEKPBSA-N 1 0 292.426 5.081 20 30 CKEDRO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1 ZINC000090665590 330394667 /nfs/dbraw/zinc/39/46/67/330394667.db2.gz UKDDKDFPXDYJGN-UXHICEINSA-N 1 0 292.426 5.081 20 30 CKEDRO CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C)cc1 ZINC000090665591 330394662 /nfs/dbraw/zinc/39/46/62/330394662.db2.gz UKDDKDFPXDYJGN-VQTJNVASSA-N 1 0 292.426 5.081 20 30 CKEDRO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C)cc1 ZINC000090665592 330394684 /nfs/dbraw/zinc/39/46/84/330394684.db2.gz UKDDKDFPXDYJGN-WOJBJXKFSA-N 1 0 292.426 5.081 20 30 CKEDRO CCc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000090665593 330394672 /nfs/dbraw/zinc/39/46/72/330394672.db2.gz AYNZDYFNRAKMPS-PBHICJAKSA-N 1 0 298.455 5.006 20 30 CKEDRO CCc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000090665594 330394581 /nfs/dbraw/zinc/39/45/81/330394581.db2.gz AYNZDYFNRAKMPS-YOEHRIQHSA-N 1 0 298.455 5.006 20 30 CKEDRO CCc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000090665595 330394664 /nfs/dbraw/zinc/39/46/64/330394664.db2.gz AYNZDYFNRAKMPS-RHSMWYFYSA-N 1 0 298.455 5.006 20 30 CKEDRO CCc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000090665596 330394615 /nfs/dbraw/zinc/39/46/15/330394615.db2.gz AYNZDYFNRAKMPS-WMLDXEAASA-N 1 0 298.455 5.006 20 30 CKEDRO C[C@@H](c1ccc2ccccc2c1)[N@H+](CCCCC#N)C1CC1 ZINC000110471265 328117538 /nfs/dbraw/zinc/11/75/38/328117538.db2.gz PTRQFOFZUQUXGY-INIZCTEOSA-N 1 0 292.426 5.059 20 30 CKEDRO C[C@H](c1ccc2ccccc2c1)[N@H+](CCCCC#N)C1CC1 ZINC000110471267 328117665 /nfs/dbraw/zinc/11/76/65/328117665.db2.gz PTRQFOFZUQUXGY-MRXNPFEDSA-N 1 0 292.426 5.059 20 30 CKEDRO CCC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccsc1 ZINC000187802016 263268853 /nfs/dbraw/zinc/26/88/53/263268853.db2.gz JXTPHRKMHBSTND-ROUUACIJSA-N 1 0 298.455 5.224 20 30 CKEDRO CCC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccsc1 ZINC000187802037 263268649 /nfs/dbraw/zinc/26/86/49/263268649.db2.gz JXTPHRKMHBSTND-MSOLQXFVSA-N 1 0 298.455 5.224 20 30 CKEDRO CCC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccsc1 ZINC000187802050 263269131 /nfs/dbraw/zinc/26/91/31/263269131.db2.gz JXTPHRKMHBSTND-ZWKOTPCHSA-N 1 0 298.455 5.224 20 30 CKEDRO CCC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccsc1 ZINC000187802068 263269045 /nfs/dbraw/zinc/26/90/45/263269045.db2.gz JXTPHRKMHBSTND-QZTJIDSGSA-N 1 0 298.455 5.224 20 30 CKEDRO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000195613872 331178412 /nfs/dbraw/zinc/17/84/12/331178412.db2.gz LWUIWWSTDVMDOV-JKSUJKDBSA-N 1 0 292.426 5.093 20 30 CKEDRO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000195613873 331178393 /nfs/dbraw/zinc/17/83/93/331178393.db2.gz LWUIWWSTDVMDOV-HOTGVXAUSA-N 1 0 292.426 5.093 20 30 CKEDRO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000195613874 331178364 /nfs/dbraw/zinc/17/83/64/331178364.db2.gz LWUIWWSTDVMDOV-HZPDHXFCSA-N 1 0 292.426 5.093 20 30 CKEDRO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000195613876 331178334 /nfs/dbraw/zinc/17/83/34/331178334.db2.gz LWUIWWSTDVMDOV-CVEARBPZSA-N 1 0 292.426 5.093 20 30 CKEDRO CC(C)(C)C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000229687699 333308032 /nfs/dbraw/zinc/30/80/32/333308032.db2.gz VYQSZCHICOFOTM-QGZVFWFLSA-N 1 0 286.463 5.083 20 30 CKEDRO CC(C)(C)C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000229687706 333308026 /nfs/dbraw/zinc/30/80/26/333308026.db2.gz VYQSZCHICOFOTM-KRWDZBQOSA-N 1 0 286.463 5.083 20 30 CKEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCCC(C)(C)C#N ZINC000235167885 333366380 /nfs/dbraw/zinc/36/63/80/333366380.db2.gz URAHTORFDSSLBU-CQSZACIVSA-N 1 0 292.854 5.053 20 30 CKEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCCC(C)(C)C#N ZINC000235467168 333370000 /nfs/dbraw/zinc/37/00/00/333370000.db2.gz URAHTORFDSSLBU-AWEZNQCLSA-N 1 0 292.854 5.053 20 30 CKEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCCCC(C)(C)C#N ZINC000235467197 333370031 /nfs/dbraw/zinc/37/00/31/333370031.db2.gz UHUKGZIFTUXYIC-AWEZNQCLSA-N 1 0 292.854 5.053 20 30 CKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000340440401 263149639 /nfs/dbraw/zinc/14/96/39/263149639.db2.gz CIDYABHDTMJAJH-DLBZAZTESA-N 1 0 298.455 5.224 20 30 CKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000340440412 263148423 /nfs/dbraw/zinc/14/84/23/263148423.db2.gz CIDYABHDTMJAJH-IAGOWNOFSA-N 1 0 298.455 5.224 20 30 CKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000340440420 328277587 /nfs/dbraw/zinc/27/75/87/328277587.db2.gz CIDYABHDTMJAJH-IRXDYDNUSA-N 1 0 298.455 5.224 20 30 CKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccs1 ZINC000340440455 328277557 /nfs/dbraw/zinc/27/75/57/328277557.db2.gz CIDYABHDTMJAJH-SJORKVTESA-N 1 0 298.455 5.224 20 30 CKEDRO Cc1cccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000340444248 328278288 /nfs/dbraw/zinc/27/82/88/328278288.db2.gz HLUDPZFTTFVXBO-FXAWDEMLSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1cccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000340444250 328278228 /nfs/dbraw/zinc/27/82/28/328278228.db2.gz HLUDPZFTTFVXBO-PXNSSMCTSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1cccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000340444251 328278306 /nfs/dbraw/zinc/27/83/06/328278306.db2.gz HLUDPZFTTFVXBO-XLIONFOSSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1cccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000340444252 328278211 /nfs/dbraw/zinc/27/82/11/328278211.db2.gz HLUDPZFTTFVXBO-YLJYHZDGSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340444747 263152831 /nfs/dbraw/zinc/15/28/31/263152831.db2.gz JDPJWRKBKSAMPJ-FXAWDEMLSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340444749 263152827 /nfs/dbraw/zinc/15/28/27/263152827.db2.gz JDPJWRKBKSAMPJ-PXNSSMCTSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340444750 263152675 /nfs/dbraw/zinc/15/26/75/263152675.db2.gz JDPJWRKBKSAMPJ-XLIONFOSSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340444751 263152597 /nfs/dbraw/zinc/15/25/97/263152597.db2.gz JDPJWRKBKSAMPJ-YLJYHZDGSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1ccccc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340449749 263155700 /nfs/dbraw/zinc/15/57/00/263155700.db2.gz WQRHNILMLCLOGK-FXAWDEMLSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1ccccc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340449750 263155698 /nfs/dbraw/zinc/15/56/98/263155698.db2.gz WQRHNILMLCLOGK-PXNSSMCTSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340449751 263155742 /nfs/dbraw/zinc/15/57/42/263155742.db2.gz WQRHNILMLCLOGK-XLIONFOSSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340449752 263155653 /nfs/dbraw/zinc/15/56/53/263155653.db2.gz WQRHNILMLCLOGK-YLJYHZDGSA-N 1 0 292.426 5.081 20 30 CKEDRO Cc1ccsc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340450356 263154690 /nfs/dbraw/zinc/15/46/90/263154690.db2.gz MNRQDBWKRAGRFH-DOTOQJQBSA-N 1 0 298.455 5.142 20 30 CKEDRO Cc1ccsc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340450366 263154657 /nfs/dbraw/zinc/15/46/57/263154657.db2.gz MNRQDBWKRAGRFH-NVXWUHKLSA-N 1 0 298.455 5.142 20 30 CKEDRO Cc1ccsc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340450375 263155109 /nfs/dbraw/zinc/15/51/09/263155109.db2.gz MNRQDBWKRAGRFH-RDJZCZTQSA-N 1 0 298.455 5.142 20 30 CKEDRO Cc1ccsc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340450380 263155070 /nfs/dbraw/zinc/15/50/70/263155070.db2.gz MNRQDBWKRAGRFH-WBVHZDCISA-N 1 0 298.455 5.142 20 30 CKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000340456188 263157776 /nfs/dbraw/zinc/15/77/76/263157776.db2.gz VTRITAGFFYIQBL-PMACEKPBSA-N 1 0 292.426 5.162 20 30 CKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000340456189 263157791 /nfs/dbraw/zinc/15/77/91/263157791.db2.gz VTRITAGFFYIQBL-UXHICEINSA-N 1 0 292.426 5.162 20 30 CKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000340456190 263157919 /nfs/dbraw/zinc/15/79/19/263157919.db2.gz VTRITAGFFYIQBL-VQTJNVASSA-N 1 0 292.426 5.162 20 30 CKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000340456191 263157795 /nfs/dbraw/zinc/15/77/95/263157795.db2.gz VTRITAGFFYIQBL-WOJBJXKFSA-N 1 0 292.426 5.162 20 30 CKEDRO Cc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000340461436 263161251 /nfs/dbraw/zinc/16/12/51/263161251.db2.gz ZHGZZLDXNMNBFR-DOTOQJQBSA-N 1 0 298.455 5.142 20 30 CKEDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000340461437 263161395 /nfs/dbraw/zinc/16/13/95/263161395.db2.gz ZHGZZLDXNMNBFR-NVXWUHKLSA-N 1 0 298.455 5.142 20 30 CKEDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000340461438 263161438 /nfs/dbraw/zinc/16/14/38/263161438.db2.gz ZHGZZLDXNMNBFR-RDJZCZTQSA-N 1 0 298.455 5.142 20 30 CKEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000340461444 263161381 /nfs/dbraw/zinc/16/13/81/263161381.db2.gz ZHGZZLDXNMNBFR-WBVHZDCISA-N 1 0 298.455 5.142 20 30 CKEDRO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(C)c1 ZINC000353633038 529654294 /nfs/dbraw/zinc/65/42/94/529654294.db2.gz RPNAEZAFZZQAAW-PMACEKPBSA-N 1 0 292.426 5.081 20 30 CKEDRO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(C)c1 ZINC000353633139 529201065 /nfs/dbraw/zinc/20/10/65/529201065.db2.gz RPNAEZAFZZQAAW-UXHICEINSA-N 1 0 292.426 5.081 20 30 CKEDRO CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc(C)c1 ZINC000353633140 529668014 /nfs/dbraw/zinc/66/80/14/529668014.db2.gz RPNAEZAFZZQAAW-VQTJNVASSA-N 1 0 292.426 5.081 20 30 CKEDRO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc(C)c1 ZINC000353633141 529206506 /nfs/dbraw/zinc/20/65/06/529206506.db2.gz RPNAEZAFZZQAAW-WOJBJXKFSA-N 1 0 292.426 5.081 20 30 CKEDRO C=CCC[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccco1 ZINC000353674280 527486809 /nfs/dbraw/zinc/48/68/09/527486809.db2.gz UJIDXFPPNQOANS-CABCVRRESA-N 1 0 287.428 5.016 20 30 CKEDRO C=CCC[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccco1 ZINC000353674287 263374026 /nfs/dbraw/zinc/37/40/26/263374026.db2.gz UJIDXFPPNQOANS-GJZGRUSLSA-N 1 0 287.428 5.016 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccco1 ZINC000353674290 263373691 /nfs/dbraw/zinc/37/36/91/263373691.db2.gz UJIDXFPPNQOANS-HUUCEWRRSA-N 1 0 287.428 5.016 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccco1 ZINC000353674292 263373630 /nfs/dbraw/zinc/37/36/30/263373630.db2.gz UJIDXFPPNQOANS-LSDHHAIUSA-N 1 0 287.428 5.016 20 30 CKEDRO C[C@@H](C1CC1)[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000385768498 336156108 /nfs/dbraw/zinc/15/61/08/336156108.db2.gz BHCIIQBMTKXFDC-KRWDZBQOSA-N 1 0 298.474 5.007 20 30 CKEDRO C[C@H](C1CC1)[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000385768503 336156118 /nfs/dbraw/zinc/15/61/18/336156118.db2.gz BHCIIQBMTKXFDC-QGZVFWFLSA-N 1 0 298.474 5.007 20 30 CKEDRO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000386028364 336164877 /nfs/dbraw/zinc/16/48/77/336164877.db2.gz QWXFRUGTICRLEX-CVEARBPZSA-N 1 0 292.426 5.093 20 30 CKEDRO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000386028365 336164870 /nfs/dbraw/zinc/16/48/70/336164870.db2.gz QWXFRUGTICRLEX-HOTGVXAUSA-N 1 0 292.426 5.093 20 30 CKEDRO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000386028366 336164882 /nfs/dbraw/zinc/16/48/82/336164882.db2.gz QWXFRUGTICRLEX-HZPDHXFCSA-N 1 0 292.426 5.093 20 30 CKEDRO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000386028367 336164726 /nfs/dbraw/zinc/16/47/26/336164726.db2.gz QWXFRUGTICRLEX-JKSUJKDBSA-N 1 0 292.426 5.093 20 30 CKEDRO CC(C)C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccs1 ZINC000444668686 261059564 /nfs/dbraw/zinc/05/95/64/261059564.db2.gz CVTDPFISDLGBFR-OAHLLOKOSA-N 1 0 292.492 5.145 20 30 CKEDRO Cc1ccccc1[C@H]([NH2+]CCCCC(C)(C)C#N)C(C)C ZINC000444673075 330818344 /nfs/dbraw/zinc/81/83/44/330818344.db2.gz MIMIHCHKKAUDLF-GOSISDBHSA-N 1 0 286.463 5.002 20 30 CKEDRO Cc1ccccc1[C@@H]([NH2+]CCCCC(C)(C)C#N)C(C)C ZINC000444673076 330818299 /nfs/dbraw/zinc/81/82/99/330818299.db2.gz MIMIHCHKKAUDLF-SFHVURJKSA-N 1 0 286.463 5.002 20 30 CKEDRO C=CCC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1 ZINC000444673723 261062202 /nfs/dbraw/zinc/06/22/02/261062202.db2.gz IPNLGHKSQNPEGX-GOSISDBHSA-N 1 0 284.447 5.004 20 30 CKEDRO C=CCC[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1 ZINC000444673731 261062070 /nfs/dbraw/zinc/06/20/70/261062070.db2.gz IPNLGHKSQNPEGX-SFHVURJKSA-N 1 0 284.447 5.004 20 30 CKEDRO CC[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000444675074 330818506 /nfs/dbraw/zinc/81/85/06/330818506.db2.gz QPQVNATUPSUQFL-INIZCTEOSA-N 1 0 292.854 5.101 20 30 CKEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc2ccccc21 ZINC000444684162 330819328 /nfs/dbraw/zinc/81/93/28/330819328.db2.gz IJOUXRBINDQBBT-MRXNPFEDSA-N 1 0 294.442 5.210 20 30 CKEDRO CC(C)C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1 ZINC000444685859 330819228 /nfs/dbraw/zinc/81/92/28/330819228.db2.gz QECVXRYKTIDHHM-GOSISDBHSA-N 1 0 286.463 5.083 20 30 CKEDRO CC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)s1 ZINC000444686471 330819424 /nfs/dbraw/zinc/81/94/24/330819424.db2.gz SQSGUPPTKZTJOK-GFCCVEGCSA-N 1 0 298.883 5.162 20 30 CKEDRO CC[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)s1 ZINC000444686472 330819401 /nfs/dbraw/zinc/81/94/01/330819401.db2.gz SQSGUPPTKZTJOK-LBPRGKRZSA-N 1 0 298.883 5.162 20 30 CKEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000444689075 330819680 /nfs/dbraw/zinc/81/96/80/330819680.db2.gz MCIKCBZMHSQPCG-HNNXBMFYSA-N 1 0 298.430 5.112 20 30 CKEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000447510891 330867347 /nfs/dbraw/zinc/86/73/47/330867347.db2.gz QYNHDNJSNGURBJ-FZKQIMNGSA-N 1 0 298.817 5.014 20 30 CKEDRO CCC[C@@H]([NH2+][C@H](CC)c1ccc(C#N)cc1)c1ccccc1 ZINC000447510977 330867352 /nfs/dbraw/zinc/86/73/52/330867352.db2.gz RHMQWVXUFCSDLY-WOJBJXKFSA-N 1 0 292.426 5.140 20 30 CKEDRO CC[C@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000447519614 330867574 /nfs/dbraw/zinc/86/75/74/330867574.db2.gz YYKYEGKMDCWWMF-ACJLOTCBSA-N 1 0 298.817 5.014 20 30 CKEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cc2ccccc2s1 ZINC000449131682 330900984 /nfs/dbraw/zinc/90/09/84/330900984.db2.gz OTJCRWHNWVKETH-MJJDPTRDSA-N 1 0 298.455 5.024 20 30 CKEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cc2ccccc2s1 ZINC000449131683 330900976 /nfs/dbraw/zinc/90/09/76/330900976.db2.gz OTJCRWHNWVKETH-UQHVZDHRSA-N 1 0 298.455 5.024 20 30 CKEDRO Cc1cc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cs1 ZINC000453232193 331104569 /nfs/dbraw/zinc/10/45/69/331104569.db2.gz HIUJOKRPTLYJQB-CRAIPNDOSA-N 1 0 298.455 5.142 20 30 CKEDRO Cc1cc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cs1 ZINC000453232194 331104583 /nfs/dbraw/zinc/10/45/83/331104583.db2.gz HIUJOKRPTLYJQB-MAUKXSAKSA-N 1 0 298.455 5.142 20 30 CKEDRO Cc1cc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cs1 ZINC000453232195 331104557 /nfs/dbraw/zinc/10/45/57/331104557.db2.gz HIUJOKRPTLYJQB-QAPCUYQASA-N 1 0 298.455 5.142 20 30 CKEDRO Cc1cc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cs1 ZINC000453232196 331104633 /nfs/dbraw/zinc/10/46/33/331104633.db2.gz HIUJOKRPTLYJQB-YJBOKZPZSA-N 1 0 298.455 5.142 20 30 CKEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000453235939 331105079 /nfs/dbraw/zinc/10/50/79/331105079.db2.gz JSPGYNCIRGVFIK-MSOLQXFVSA-N 1 0 298.455 5.224 20 30 CKEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000453235941 331105171 /nfs/dbraw/zinc/10/51/71/331105171.db2.gz JSPGYNCIRGVFIK-QZTJIDSGSA-N 1 0 298.455 5.224 20 30 CKEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000453235942 331105176 /nfs/dbraw/zinc/10/51/76/331105176.db2.gz JSPGYNCIRGVFIK-ROUUACIJSA-N 1 0 298.455 5.224 20 30 CKEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000453235943 331105107 /nfs/dbraw/zinc/10/51/07/331105107.db2.gz JSPGYNCIRGVFIK-ZWKOTPCHSA-N 1 0 298.455 5.224 20 30 CKEDRO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCCCC#N ZINC000464766957 331366989 /nfs/dbraw/zinc/36/69/89/331366989.db2.gz VKKIXCBAROLOMN-KRWDZBQOSA-N 1 0 292.426 5.040 20 30 CKEDRO C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCCCC#N ZINC000464766958 331367053 /nfs/dbraw/zinc/36/70/53/331367053.db2.gz VKKIXCBAROLOMN-QGZVFWFLSA-N 1 0 292.426 5.040 20 30 CKEDRO C=CCC[C@@H]([NH2+]Cc1ccsc1Cl)c1ccccc1 ZINC000480303550 331767273 /nfs/dbraw/zinc/76/72/73/331767273.db2.gz BVZLKWNVIJFVRM-OAHLLOKOSA-N 1 0 291.847 5.199 20 30 CKEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(C2CCCCC2)cc1 ZINC000482462188 331833831 /nfs/dbraw/zinc/83/38/31/331833831.db2.gz VIGGHRUWSUSKRP-MRXNPFEDSA-N 1 0 284.447 5.079 20 30 CKEDRO C=CCC[C@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1 ZINC000487554288 331973859 /nfs/dbraw/zinc/97/38/59/331973859.db2.gz RYZCLTZROLTABQ-INIZCTEOSA-N 1 0 291.847 5.199 20 30 CKEDRO C=CCC[C@H]([NH2+][C@H](C)c1ncccc1CC)c1ccccc1 ZINC000507463498 332807170 /nfs/dbraw/zinc/80/71/70/332807170.db2.gz UDJZDLYPNHSYGK-APWZRJJASA-N 1 0 294.442 5.002 20 30 CKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ncccc1CC)c1ccccc1 ZINC000507463499 332807228 /nfs/dbraw/zinc/80/72/28/332807228.db2.gz UDJZDLYPNHSYGK-LPHOPBHVSA-N 1 0 294.442 5.002 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ncccc1CC)c1ccccc1 ZINC000507463500 332807251 /nfs/dbraw/zinc/80/72/51/332807251.db2.gz UDJZDLYPNHSYGK-QFBILLFUSA-N 1 0 294.442 5.002 20 30 CKEDRO C=CCC[C@H]([NH2+]Cc1csc2ccccc12)c1ccco1 ZINC000513665169 333030728 /nfs/dbraw/zinc/03/07/28/333030728.db2.gz CBKCHDUNZFDEEX-INIZCTEOSA-N 1 0 297.423 5.291 20 30 CKEDRO C=CCC[C@@H]([NH2+]Cc1csc2ccccc12)c1ccco1 ZINC000513665170 333030627 /nfs/dbraw/zinc/03/06/27/333030627.db2.gz CBKCHDUNZFDEEX-MRXNPFEDSA-N 1 0 297.423 5.291 20 30 CKEDRO C=CCC[C@H]([NH2+]Cc1ccc2ccccc2c1)c1ccco1 ZINC000513666277 333030719 /nfs/dbraw/zinc/03/07/19/333030719.db2.gz KOUYAQQONFRUHX-IBGZPJMESA-N 1 0 291.394 5.230 20 30 CKEDRO C=CCC[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccco1 ZINC000513666278 333030765 /nfs/dbraw/zinc/03/07/65/333030765.db2.gz KOUYAQQONFRUHX-LJQANCHMSA-N 1 0 291.394 5.230 20 30 CKEDRO C=CCC[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccco1 ZINC000513697626 333033266 /nfs/dbraw/zinc/03/32/66/333033266.db2.gz PWVHQRRIIMINNT-CVEARBPZSA-N 1 0 299.439 5.114 20 30 CKEDRO C=CCC[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccco1 ZINC000513697627 333033145 /nfs/dbraw/zinc/03/31/45/333033145.db2.gz PWVHQRRIIMINNT-HOTGVXAUSA-N 1 0 299.439 5.114 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccco1 ZINC000513697628 333033174 /nfs/dbraw/zinc/03/31/74/333033174.db2.gz PWVHQRRIIMINNT-HZPDHXFCSA-N 1 0 299.439 5.114 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1ccco1 ZINC000513697629 333033181 /nfs/dbraw/zinc/03/31/81/333033181.db2.gz PWVHQRRIIMINNT-JKSUJKDBSA-N 1 0 299.439 5.114 20 30 CKEDRO CCC[C@H]([NH2+]CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000531704740 328026530 /nfs/dbraw/zinc/02/65/30/328026530.db2.gz JKLHWIITIDUKQL-HNNXBMFYSA-N 1 0 299.245 5.118 20 30 CKEDRO CCC[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000531704749 328026747 /nfs/dbraw/zinc/02/67/47/328026747.db2.gz JKLHWIITIDUKQL-OAHLLOKOSA-N 1 0 299.245 5.118 20 30 CKEDRO CC(C)CC[C@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1 ZINC000531705145 328026978 /nfs/dbraw/zinc/02/69/78/328026978.db2.gz YOEHUAZCVQLXIL-KRWDZBQOSA-N 1 0 292.854 5.101 20 30 CKEDRO CC(C)CC[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1 ZINC000531705146 328026966 /nfs/dbraw/zinc/02/69/66/328026966.db2.gz YOEHUAZCVQLXIL-QGZVFWFLSA-N 1 0 292.854 5.101 20 30 CKEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccsc1)c1ccccc1 ZINC000536833625 330229840 /nfs/dbraw/zinc/22/98/40/330229840.db2.gz QCLLMZMZLNWGQG-PBHICJAKSA-N 1 0 271.429 5.106 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccsc1)c1ccccc1 ZINC000536833636 330229781 /nfs/dbraw/zinc/22/97/81/330229781.db2.gz QCLLMZMZLNWGQG-RHSMWYFYSA-N 1 0 271.429 5.106 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccccc1 ZINC000536833637 330229590 /nfs/dbraw/zinc/22/95/90/330229590.db2.gz QCLLMZMZLNWGQG-WMLDXEAASA-N 1 0 271.429 5.106 20 30 CKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccsc1)c1ccccc1 ZINC000536833639 330229698 /nfs/dbraw/zinc/22/96/98/330229698.db2.gz QCLLMZMZLNWGQG-YOEHRIQHSA-N 1 0 271.429 5.106 20 30 CKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000536841832 330236485 /nfs/dbraw/zinc/23/64/85/330236485.db2.gz XBRXTFKXLSALFE-JXFKEZNVSA-N 1 0 295.426 5.053 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000536841855 330236394 /nfs/dbraw/zinc/23/63/94/330236394.db2.gz XBRXTFKXLSALFE-OXJNMPFZSA-N 1 0 295.426 5.053 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000536841858 330236356 /nfs/dbraw/zinc/23/63/56/330236356.db2.gz XBRXTFKXLSALFE-OXQOHEQNSA-N 1 0 295.426 5.053 20 30 CKEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000536841861 330236368 /nfs/dbraw/zinc/23/63/68/330236368.db2.gz XBRXTFKXLSALFE-UZLBHIALSA-N 1 0 295.426 5.053 20 30 CKEDRO Cc1cccc([C@H]([NH2+]CCCC(C)(C)C#N)C(C)(C)C)c1 ZINC000538237479 333581052 /nfs/dbraw/zinc/58/10/52/333581052.db2.gz ZIAMODGEJVTQSF-KRWDZBQOSA-N 1 0 286.463 5.002 20 30 CKEDRO Cc1cccc([C@@H]([NH2+]CCCC(C)(C)C#N)C(C)(C)C)c1 ZINC000538237482 333580920 /nfs/dbraw/zinc/58/09/20/333580920.db2.gz ZIAMODGEJVTQSF-QGZVFWFLSA-N 1 0 286.463 5.002 20 30 CKEDRO CC(C)C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cccs1 ZINC000538392914 333588120 /nfs/dbraw/zinc/58/81/20/333588120.db2.gz CLEPCLZPJVUVSK-RHSMWYFYSA-N 1 0 298.455 5.058 20 30 CKEDRO CC(C)C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccs1 ZINC000538392915 333587988 /nfs/dbraw/zinc/58/79/88/333587988.db2.gz CLEPCLZPJVUVSK-WMLDXEAASA-N 1 0 298.455 5.058 20 30 CKEDRO C=CCC[C@H]([NH2+][C@H](C)c1cccs1)c1ccccc1 ZINC000539054513 326930189 /nfs/dbraw/zinc/93/01/89/326930189.db2.gz QIUOBMACHDFFLD-ZBFHGGJFSA-N 1 0 271.429 5.106 20 30 CKEDRO CC(C)(C)C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1 ZINC000539256601 333663296 /nfs/dbraw/zinc/66/32/96/333663296.db2.gz FBYNFJCFTPOVDX-QGZVFWFLSA-N 1 0 286.463 5.083 20 30 CKEDRO CCC(CC)[C@H]([NH2+]CCCC(C)(C)C#N)c1cccs1 ZINC000539280525 333663721 /nfs/dbraw/zinc/66/37/21/333663721.db2.gz OEEJYSPMINBZQQ-INIZCTEOSA-N 1 0 292.492 5.145 20 30 CKEDRO Cc1ccccc1[C@H]([NH2+]CCCC(C)(C)C#N)C(C)(C)C ZINC000539293664 333664294 /nfs/dbraw/zinc/66/42/94/333664294.db2.gz DFCDGPNIMYYNKI-KRWDZBQOSA-N 1 0 286.463 5.002 20 30 CKEDRO C=CCC[C@@H]([NH2+]CCCCC(F)(F)F)c1ccccc1 ZINC000539359054 333667337 /nfs/dbraw/zinc/66/73/37/333667337.db2.gz CJQMCFBRQBXCDE-OAHLLOKOSA-N 1 0 285.353 5.016 20 30 CKEDRO CC(C)C[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccs1 ZINC000539494949 333674005 /nfs/dbraw/zinc/67/40/05/333674005.db2.gz XKZBNIIUCUHFTG-PBHICJAKSA-N 1 0 298.455 5.058 20 30 CKEDRO CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccs1 ZINC000539494950 333673983 /nfs/dbraw/zinc/67/39/83/333673983.db2.gz XKZBNIIUCUHFTG-RHSMWYFYSA-N 1 0 298.455 5.058 20 30 CKEDRO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccs1 ZINC000539494951 333674175 /nfs/dbraw/zinc/67/41/75/333674175.db2.gz XKZBNIIUCUHFTG-WMLDXEAASA-N 1 0 298.455 5.058 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000540147731 333712949 /nfs/dbraw/zinc/71/29/49/333712949.db2.gz WDDWIBYJGKGVGO-OXJNMPFZSA-N 1 0 295.426 5.053 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000540147732 333712994 /nfs/dbraw/zinc/71/29/94/333712994.db2.gz WDDWIBYJGKGVGO-OXQOHEQNSA-N 1 0 295.426 5.053 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1sccc1C)c1ccccc1 ZINC000540150697 333713602 /nfs/dbraw/zinc/71/36/02/333713602.db2.gz KGZZSZGUFGIVAF-DOTOQJQBSA-N 1 0 285.456 5.415 20 30 CKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1sccc1C)c1ccccc1 ZINC000540150699 333713685 /nfs/dbraw/zinc/71/36/85/333713685.db2.gz KGZZSZGUFGIVAF-RDJZCZTQSA-N 1 0 285.456 5.415 20 30 CKEDRO C=CCC[C@H]([NH2+][C@H](C)c1sccc1C)c1ccccc1 ZINC000540150700 333713698 /nfs/dbraw/zinc/71/36/98/333713698.db2.gz KGZZSZGUFGIVAF-WBVHZDCISA-N 1 0 285.456 5.415 20 30 CKEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccccc1OC)c1ccccc1 ZINC000540151390 333713687 /nfs/dbraw/zinc/71/36/87/333713687.db2.gz OSMFSNNUILAOER-APWZRJJASA-N 1 0 295.426 5.053 20 30 CKEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCCC(C)(C)C#N ZINC000540358789 333726945 /nfs/dbraw/zinc/72/69/45/333726945.db2.gz LUONMMZLQHNHOQ-GOSISDBHSA-N 1 0 286.463 5.002 20 30 CKEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CCCC(C)(C)C#N ZINC000540358794 333726822 /nfs/dbraw/zinc/72/68/22/333726822.db2.gz LUONMMZLQHNHOQ-SFHVURJKSA-N 1 0 286.463 5.002 20 30 CKEDRO CC(C)(C)C[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1 ZINC000540414073 333729028 /nfs/dbraw/zinc/72/90/28/333729028.db2.gz IIBUGZOOGOYPLR-MRXNPFEDSA-N 1 0 292.854 5.101 20 30 CKEDRO C=CCC[C@H]([NH2+]Cc1ccc(Cl)c(C)c1)c1ccco1 ZINC000552067820 334284958 /nfs/dbraw/zinc/28/49/58/334284958.db2.gz YZZBDONNOZRIJB-INIZCTEOSA-N 1 0 289.806 5.039 20 30 CKEDRO C=CCC[C@@H]([NH2+]Cc1ccc(Cl)c(C)c1)c1ccco1 ZINC000552067821 334284943 /nfs/dbraw/zinc/28/49/43/334284943.db2.gz YZZBDONNOZRIJB-MRXNPFEDSA-N 1 0 289.806 5.039 20 30 CKEDRO C=CCC[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccco1 ZINC000552260755 334309898 /nfs/dbraw/zinc/30/98/98/334309898.db2.gz PSGDFBROCWZWKI-MSOLQXFVSA-N 1 0 299.389 5.093 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccco1 ZINC000552260756 334309857 /nfs/dbraw/zinc/30/98/57/334309857.db2.gz PSGDFBROCWZWKI-QZTJIDSGSA-N 1 0 299.389 5.093 20 30 CKEDRO CC(C)[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc2ccccc2o1 ZINC000554067272 334408460 /nfs/dbraw/zinc/40/84/60/334408460.db2.gz JNCSJDSYGZLJMD-GOSISDBHSA-N 1 0 298.430 5.049 20 30 CKEDRO CC(C)[C@H]([NH2+]CC(C)(C)CCC#N)c1cc2ccccc2o1 ZINC000554067275 334408611 /nfs/dbraw/zinc/40/86/11/334408611.db2.gz JNCSJDSYGZLJMD-SFHVURJKSA-N 1 0 298.430 5.049 20 30 CKEDRO CCC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)cc1 ZINC000554074773 334409561 /nfs/dbraw/zinc/40/95/61/334409561.db2.gz FRFYVFKVSGWYRI-MRXNPFEDSA-N 1 0 292.854 5.101 20 30 CKEDRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000556205131 334500062 /nfs/dbraw/zinc/50/00/62/334500062.db2.gz LOGSZWBGMDZUJA-AEFFLSMTSA-N 1 0 286.463 5.226 20 30 CKEDRO C[C@@H](CCC(C)(C)C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000556205134 334500189 /nfs/dbraw/zinc/50/01/89/334500189.db2.gz LOGSZWBGMDZUJA-FUHWJXTLSA-N 1 0 286.463 5.226 20 30 CKEDRO C[C@H](CCC(C)(C)C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000556205135 334500174 /nfs/dbraw/zinc/50/01/74/334500174.db2.gz LOGSZWBGMDZUJA-SJLPKXTDSA-N 1 0 286.463 5.226 20 30 CKEDRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000556205136 334500154 /nfs/dbraw/zinc/50/01/54/334500154.db2.gz LOGSZWBGMDZUJA-WMZOPIPTSA-N 1 0 286.463 5.226 20 30 CKEDRO C=CCC[C@@H]([NH2+]Cc1cc2ccccc2s1)c1ccco1 ZINC000556218654 334500745 /nfs/dbraw/zinc/50/07/45/334500745.db2.gz YCBAVNSPRYUZGG-MRXNPFEDSA-N 1 0 297.423 5.291 20 30 CKEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000556907153 326981616 /nfs/dbraw/zinc/98/16/16/326981616.db2.gz JOUDPXFDVRYFCO-DFQSSKMNSA-N 1 0 296.458 5.004 20 30 CKEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000557282730 326999987 /nfs/dbraw/zinc/99/99/87/326999987.db2.gz UWCVKLQORNCKCN-LPHOPBHVSA-N 1 0 265.400 5.045 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000557282731 327000016 /nfs/dbraw/zinc/00/00/16/327000016.db2.gz UWCVKLQORNCKCN-QFBILLFUSA-N 1 0 265.400 5.045 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000557282733 327000173 /nfs/dbraw/zinc/00/01/73/327000173.db2.gz UWCVKLQORNCKCN-VQIMIIECSA-N 1 0 265.400 5.045 20 30 CKEDRO Cc1cc2cc([C@H](C)[NH2+]CC(C)(C)CCC#N)oc2cc1C ZINC000558237152 327080406 /nfs/dbraw/zinc/08/04/06/327080406.db2.gz HDFKZSHUHJXBIG-HNNXBMFYSA-N 1 0 298.430 5.030 20 30 CKEDRO Cc1cc2cc([C@@H](C)[NH2+]CC(C)(C)CCC#N)oc2cc1C ZINC000558237153 327080274 /nfs/dbraw/zinc/08/02/74/327080274.db2.gz HDFKZSHUHJXBIG-OAHLLOKOSA-N 1 0 298.430 5.030 20 30 CKEDRO C=CCC[C@H]([NH2+]Cc1sccc1Cl)c1ccccc1 ZINC000558850845 327126763 /nfs/dbraw/zinc/12/67/63/327126763.db2.gz LVQNDLRZZRJLTK-HNNXBMFYSA-N 1 0 291.847 5.199 20 30 CKEDRO C=CCC[C@@H]([NH2+]Cc1sccc1Cl)c1ccccc1 ZINC000558850846 327126730 /nfs/dbraw/zinc/12/67/30/327126730.db2.gz LVQNDLRZZRJLTK-OAHLLOKOSA-N 1 0 291.847 5.199 20 30 CKEDRO CC(C)=CCC[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000559862363 327265836 /nfs/dbraw/zinc/26/58/36/327265836.db2.gz BDHVNIVPWWICKB-HKUYNNGSSA-N 1 0 284.447 5.146 20 30 CKEDRO CC(C)=CCC[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000559862365 327265902 /nfs/dbraw/zinc/26/59/02/327265902.db2.gz BDHVNIVPWWICKB-IEBWSBKVSA-N 1 0 284.447 5.146 20 30 CKEDRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000559862366 327265823 /nfs/dbraw/zinc/26/58/23/327265823.db2.gz BDHVNIVPWWICKB-MJGOQNOKSA-N 1 0 284.447 5.146 20 30 CKEDRO CC(C)=CCC[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000559862367 327265826 /nfs/dbraw/zinc/26/58/26/327265826.db2.gz BDHVNIVPWWICKB-PKOBYXMFSA-N 1 0 284.447 5.146 20 30 CKEDRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000561315526 327385171 /nfs/dbraw/zinc/38/51/71/327385171.db2.gz SHLIHOMSKWLPCE-HQRMLTQVSA-N 1 0 296.458 5.004 20 30 CKEDRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000561315543 327385036 /nfs/dbraw/zinc/38/50/36/327385036.db2.gz SHLIHOMSKWLPCE-ILZDJORESA-N 1 0 296.458 5.004 20 30 CKEDRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000561315545 327385099 /nfs/dbraw/zinc/38/50/99/327385099.db2.gz SHLIHOMSKWLPCE-QRFRQXIXSA-N 1 0 296.458 5.004 20 30 CKEDRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000561315548 327385102 /nfs/dbraw/zinc/38/51/02/327385102.db2.gz SHLIHOMSKWLPCE-XKGZKEIXSA-N 1 0 296.458 5.004 20 30 CKEDRO C=CCC[C@H]([NH2+]Cc1oc2ccccc2c1C)c1ccco1 ZINC000563260927 328002622 /nfs/dbraw/zinc/00/26/22/328002622.db2.gz AUOYXIHQCQZACI-INIZCTEOSA-N 1 0 295.382 5.131 20 30 CKEDRO C=CCC[C@@H]([NH2+]Cc1oc2ccccc2c1C)c1ccco1 ZINC000563260941 328002776 /nfs/dbraw/zinc/00/27/76/328002776.db2.gz AUOYXIHQCQZACI-MRXNPFEDSA-N 1 0 295.382 5.131 20 30 CKEDRO C=CCC[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccco1 ZINC000571828336 329923676 /nfs/dbraw/zinc/92/36/76/329923676.db2.gz PSGDFBROCWZWKI-ZWKOTPCHSA-N 1 0 299.389 5.093 20 30 CKEDRO C=CCC[C@H]([NH2+]Cc1c(C)oc2ccccc21)c1ccco1 ZINC000575238259 335087350 /nfs/dbraw/zinc/08/73/50/335087350.db2.gz ZDWXABQEFCMRPF-KRWDZBQOSA-N 1 0 295.382 5.131 20 30 CKEDRO C=CCC[C@@H]([NH2+]Cc1c(C)oc2ccccc21)c1ccco1 ZINC000575238260 335087376 /nfs/dbraw/zinc/08/73/76/335087376.db2.gz ZDWXABQEFCMRPF-QGZVFWFLSA-N 1 0 295.382 5.131 20 30 CKEDRO C=CCC[C@H]([NH2+]Cc1ccc2sccc2c1)c1ccco1 ZINC000582934340 329286464 /nfs/dbraw/zinc/28/64/64/329286464.db2.gz KRCVIKIEIFNLJX-INIZCTEOSA-N 1 0 297.423 5.291 20 30 CKEDRO C=CCC[C@@H]([NH2+]Cc1ccc2sccc2c1)c1ccco1 ZINC000582934341 329286503 /nfs/dbraw/zinc/28/65/03/329286503.db2.gz KRCVIKIEIFNLJX-MRXNPFEDSA-N 1 0 297.423 5.291 20 30 CKEDRO CC[C@@H]([NH2+][C@@H](C)c1cc(C)sc1C)c1ccc(C#N)cc1 ZINC000584093184 326946770 /nfs/dbraw/zinc/94/67/70/326946770.db2.gz MEEKLIGGTIGYDN-SCLBCKFNSA-N 1 0 298.455 5.039 20 30 CKEDRO CC[C@H]([NH2+][C@@H](C)c1cc(C)sc1C)c1ccc(C#N)cc1 ZINC000584093185 326946865 /nfs/dbraw/zinc/94/68/65/326946865.db2.gz MEEKLIGGTIGYDN-UGSOOPFHSA-N 1 0 298.455 5.039 20 30 CKEDRO