smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN1C(=O)NC(=O)C(=CNCC[NH+]2CCCCC2)C1=O ZINC000100788531 395763605 /nfs/dbraw/zinc/76/36/05/395763605.db2.gz SMSGYVPTKNHVGD-OUKQBFOZSA-N 1 1 322.409 0.824 50 10 DCCAMO C[NH+](C)CCNC=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000102521742 1176011956 /nfs/dbraw/zinc/01/19/56/1176011956.db2.gz OMFDYOCBJHJGNJ-BENRWUELSA-N 1 1 318.402 0.881 50 10 DCCAMO CCCCN1C(=O)NC(=O)C(=CN[C@@H]2CCCC[C@@H]2[NH3+])C1=O ZINC000020440499 182217896 /nfs/dbraw/zinc/21/78/96/182217896.db2.gz PSLCQCXZUWLANP-NYXKHXTOSA-N 1 1 308.382 0.608 50 10 DCCAMO CCCCN1C(=O)NC(=O)C(=CNCC[NH+]2CCCCC2)C1=O ZINC000020023599 182179754 /nfs/dbraw/zinc/17/97/54/182179754.db2.gz SMSGYVPTKNHVGD-SEYXRHQNSA-N 1 1 322.409 0.824 50 10 DCCAMO CCCCN1C(=O)NC(=O)C(=CNCC[NH+](CC)CC)C1=O ZINC000020024973 182180373 /nfs/dbraw/zinc/18/03/73/182180373.db2.gz NRZMAVHGOCIOMZ-QXMHVHEDSA-N 1 1 310.398 0.680 50 10 DCCAMO CC1(C)OCC([N+](=O)[O-])([N+](=O)Nc2nonc2[N+](=O)[O-])CO1 ZINC000225422673 395860108 /nfs/dbraw/zinc/86/01/08/395860108.db2.gz QYDQDILSALLFAY-UHFFFAOYSA-N 1 1 319.210 0.219 50 10 DCCAMO CC(C)([N+](=O)[O-])[N+](=O)Nc1nonc1N=Nc1nonc1N ZINC000225415642 395860262 /nfs/dbraw/zinc/86/02/62/395860262.db2.gz SWQQZIGZJBTIIE-KTKRTIGZSA-N 1 1 313.214 0.948 50 10 DCCAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000095972182 415566861 /nfs/dbraw/zinc/56/68/61/415566861.db2.gz NWVCFWHVKGPWKH-CQSZACIVSA-N 1 1 316.405 0.320 50 10 DCCAMO CCCCN1C(=O)NC(=O)C(=CN[C@H]2CCCC[C@@H]2[NH3+])C1=O ZINC000020440503 182218036 /nfs/dbraw/zinc/21/80/36/182218036.db2.gz PSLCQCXZUWLANP-GSGCRYEPSA-N 1 1 308.382 0.608 50 10 DCCAMO C[NH+](C)CCNC=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000019359521 182118763 /nfs/dbraw/zinc/11/87/63/182118763.db2.gz WVOYDMZNAFIYEY-ZRDIBKRKSA-N 1 1 308.382 0.433 50 10 DCCAMO CCCCN1C(=O)NC(=O)C(=CN[C@H]2CCCC[C@H]2[NH3+])C1=O ZINC000020440513 182218010 /nfs/dbraw/zinc/21/80/10/182218010.db2.gz PSLCQCXZUWLANP-ZGFRAZBVSA-N 1 1 308.382 0.608 50 10 DCCAMO C[NH+](C)CCCNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000100788640 395763708 /nfs/dbraw/zinc/76/37/08/395763708.db2.gz YPYNHOPWXGFYDD-FMIVXFBMSA-N 1 1 320.349 0.283 50 10 DCCAMO CCCCCCN1C(=O)NC(=O)C(=CNCC[NH+](C)C)C1=O ZINC000100790430 395763622 /nfs/dbraw/zinc/76/36/22/395763622.db2.gz AJMUBNUCBYLKMW-VAWYXSNFSA-N 1 1 310.398 0.680 50 10 DCCAMO CCCCN1C(=O)NC(=O)C(=CN[C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000020440508 182217934 /nfs/dbraw/zinc/21/79/34/182217934.db2.gz PSLCQCXZUWLANP-CZHKVUGUSA-N 1 1 308.382 0.608 50 10 DCCAMO CN(C)c1ccc(CN2CC[NH+](CCOCCO)CC2)cc1 ZINC000022593820 395691824 /nfs/dbraw/zinc/69/18/24/395691824.db2.gz YKELDDVFUCURIQ-UHFFFAOYSA-N 1 1 307.438 0.879 50 10 DCCAMO CCCCN1C(=O)NC(=O)C(=CNCC[NH+](CC)CC)C1=O ZINC000100794381 395763652 /nfs/dbraw/zinc/76/36/52/395763652.db2.gz NRZMAVHGOCIOMZ-VAWYXSNFSA-N 1 1 310.398 0.680 50 10 DCCAMO C[NH+](C)CCNC=C1C(=O)NC(=O)N(C2CCCCCC2)C1=O ZINC000002419408 395681494 /nfs/dbraw/zinc/68/14/94/395681494.db2.gz HHGPTDHZUIICFA-ACCUITESSA-N 1 1 322.409 0.823 50 10 DCCAMO CCCCCCN1C(=O)NC(=O)C(=CNCC[NH+](C)C)C1=O ZINC000020024173 182180535 /nfs/dbraw/zinc/18/05/35/182180535.db2.gz AJMUBNUCBYLKMW-QXMHVHEDSA-N 1 1 310.398 0.680 50 10 DCCAMO C[NH+](C)CCCNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000002301972 395681427 /nfs/dbraw/zinc/68/14/27/395681427.db2.gz YPYNHOPWXGFYDD-XFXZXTDPSA-N 1 1 320.349 0.283 50 10 DCCAMO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000022912101 658315125 /nfs/dbraw/zinc/31/51/25/658315125.db2.gz CMDPBHJTJNDNQL-ZFWWWQNUSA-N 1 1 312.797 0.923 50 10 DCCAMO C[NH+](C)CCNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000002309120 395681424 /nfs/dbraw/zinc/68/14/24/395681424.db2.gz YYGIURPVCUWUHO-JLHYYAGUSA-N 1 1 316.361 0.300 50 10 DCCAMO COc1ccc(O)c(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 ZINC000039429764 183017985 /nfs/dbraw/zinc/01/79/85/183017985.db2.gz TWHYRNUWXJULRC-HOCLYGCPSA-N 1 1 308.378 0.278 50 10 DCCAMO NC(=[NH2+])NC1=NC(=O)C(=Cc2ccccc2-n2cncn2)S1 ZINC000001384347 395680739 /nfs/dbraw/zinc/68/07/39/395680739.db2.gz BXLLLJRYQMAJJL-YHYXMXQVSA-N 1 1 313.346 0.721 50 10 DCCAMO COCCCN1C(=O)/C(=C\N2CC[NH+](C)CC2)SC1=S ZINC000013550218 395688674 /nfs/dbraw/zinc/68/86/74/395688674.db2.gz AOXYMIPRENICHY-ZHACJKMWSA-N 1 1 315.464 0.972 50 10 DCCAMO CS(=O)(=O)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000058379709 184110653 /nfs/dbraw/zinc/11/06/53/184110653.db2.gz BZNFOSWINBVYJV-UHFFFAOYSA-N 1 1 310.419 0.958 50 10 DCCAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000095972181 415568211 /nfs/dbraw/zinc/56/82/11/415568211.db2.gz NWVCFWHVKGPWKH-AWEZNQCLSA-N 1 1 316.405 0.320 50 10 DCCAMO COCCCN1C(=O)/C(=C/N2CC[NH+](C)CC2)SC1=S ZINC000030819368 395704253 /nfs/dbraw/zinc/70/42/53/395704253.db2.gz AOXYMIPRENICHY-KHPPLWFESA-N 1 1 315.464 0.972 50 10 DCCAMO C[NH+](C)CCNC=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000002588762 415124990 /nfs/dbraw/zinc/12/49/90/415124990.db2.gz OMFDYOCBJHJGNJ-ZRDIBKRKSA-N 1 1 318.402 0.469 50 10 DCCAMO C[NH+](C)CCCNC=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000002208742 395681418 /nfs/dbraw/zinc/68/14/18/395681418.db2.gz QLBPSOMKNXRCNU-ACCUITESSA-N 1 1 322.409 0.823 50 10 DCCAMO