smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(-n2ccnc2)cc1 ZINC000159654352 350684055 /nfs/dbraw/zinc/68/40/55/350684055.db2.gz NTCOGZQWAUWTIA-NSHDSACASA-N -1 3 299.290 0.409 20 70 CCIDHM CCC(CC)([N-]S(=O)(=O)c1c(C)noc1C)C(N)=O ZINC000161221210 350716250 /nfs/dbraw/zinc/71/62/50/350716250.db2.gz QVLNBXVYOWSDPJ-UHFFFAOYSA-N -1 3 289.357 0.614 20 70 CCIDHM COC[C@H](O)C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000160910301 188497630 /nfs/dbraw/zinc/49/76/30/188497630.db2.gz IAGSWZGIQPBVKP-MRVPVSSYSA-N -1 3 295.307 0.559 20 70 CCIDHM O=S(=O)([N-]C[C@H](O)COCC1CC1)c1cccs1 ZINC000160690836 389396844 /nfs/dbraw/zinc/39/68/44/389396844.db2.gz WCJDCBMQSALSOX-JTQLQIEISA-N -1 3 291.394 0.814 20 70 CCIDHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000160456443 389390177 /nfs/dbraw/zinc/39/01/77/389390177.db2.gz VDODDMHJGSMXGV-RCWTZXSCSA-N -1 3 279.340 0.764 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284.279 0.682 20 70 CCIDHM CCC(O)(CC)C[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000160210006 389383112 /nfs/dbraw/zinc/38/31/12/389383112.db2.gz ZBADRAOMGOZFIN-UHFFFAOYSA-N -1 3 295.792 0.903 20 70 CCIDHM COc1ccc(C(=O)NCCNC(=O)N(C)C)c([O-])c1 ZINC000160917170 389401860 /nfs/dbraw/zinc/40/18/60/389401860.db2.gz WVEGWJZXFIWHKC-UHFFFAOYSA-N -1 3 281.312 0.402 20 70 CCIDHM Cc1nc(S(=O)(=O)[N-]C2(C)CCOCC2)cn1C ZINC000161018690 350710375 /nfs/dbraw/zinc/71/03/75/350710375.db2.gz UFUJEJJEWDOTOT-UHFFFAOYSA-N -1 3 273.358 0.576 20 70 CCIDHM Cn1cc(S(=O)(=O)[N-]C2(C)CCOCC2)nc1Cl ZINC000161049680 350710862 /nfs/dbraw/zinc/71/08/62/350710862.db2.gz JXQFFDQHRWVCQP-UHFFFAOYSA-N -1 3 293.776 0.921 20 70 CCIDHM CCn1cc(S(=O)(=O)[N-][C@H](CCO)C(C)C)nc1C ZINC000218084109 351954342 /nfs/dbraw/zinc/95/43/42/351954342.db2.gz UKHDDIHAZFKZKK-LLVKDONJSA-N -1 3 289.401 0.897 20 70 CCIDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCCc2sccc21 ZINC000159886018 389375687 /nfs/dbraw/zinc/37/56/87/389375687.db2.gz 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389371652 /nfs/dbraw/zinc/37/16/52/389371652.db2.gz GKUILXPJOYFZPU-JTQLQIEISA-N -1 3 275.374 0.446 20 70 CCIDHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCCc2sccc21 ZINC000159909852 389376193 /nfs/dbraw/zinc/37/61/93/389376193.db2.gz LFASRGBPOYSCBE-VIFPVBQESA-N -1 3 293.348 0.794 20 70 CCIDHM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCCNCC1 ZINC000160817570 389399736 /nfs/dbraw/zinc/39/97/36/389399736.db2.gz KXBQVVNJPRDOGG-UHFFFAOYSA-N -1 3 297.380 0.494 20 70 CCIDHM CC(=O)N1CCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000216972777 613412559 /nfs/dbraw/zinc/41/25/59/613412559.db2.gz ZHTICHAUBMAXPN-UHFFFAOYSA-N -1 3 263.297 0.279 20 70 CCIDHM COC(=O)NCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160320939 389386716 /nfs/dbraw/zinc/38/67/16/389386716.db2.gz HITOIFRHWXBDRG-UHFFFAOYSA-N -1 3 279.256 0.668 20 70 CCIDHM COC(=O)NCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160320939 389386719 /nfs/dbraw/zinc/38/67/19/389386719.db2.gz HITOIFRHWXBDRG-UHFFFAOYSA-N -1 3 279.256 0.668 20 70 CCIDHM COC(=O)NCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160320939 389386721 /nfs/dbraw/zinc/38/67/21/389386721.db2.gz HITOIFRHWXBDRG-UHFFFAOYSA-N -1 3 279.256 0.668 20 70 CCIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CN(C)CCO3)[n-]2)o1 ZINC000160443667 389389170 /nfs/dbraw/zinc/38/91/70/389389170.db2.gz CFAUVHPDCMXOMP-SNVBAGLBSA-N -1 3 291.311 0.642 20 70 CCIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CN(C)CCO3)n2)o1 ZINC000160443667 389389174 /nfs/dbraw/zinc/38/91/74/389389174.db2.gz CFAUVHPDCMXOMP-SNVBAGLBSA-N -1 3 291.311 0.642 20 70 CCIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3CN(C)CCO3)n[n-]2)o1 ZINC000160443667 389389177 /nfs/dbraw/zinc/38/91/77/389389177.db2.gz CFAUVHPDCMXOMP-SNVBAGLBSA-N -1 3 291.311 0.642 20 70 CCIDHM COc1ccc(C(F)(F)C(=O)[N-][C@H](C)C(N)=O)cc1 ZINC000160953629 350708237 /nfs/dbraw/zinc/70/82/37/350708237.db2.gz GAAIZNOJNRYKFH-SSDOTTSWSA-N -1 3 272.251 0.777 20 70 CCIDHM COc1ccc([O-])c(C(=O)N2CCCS(=O)(=O)CC2)c1 ZINC000217915419 389135004 /nfs/dbraw/zinc/13/50/04/389135004.db2.gz JBGIZIKBKBHVLS-UHFFFAOYSA-N -1 3 299.348 0.662 20 70 CCIDHM 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