smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc([C@H](C)NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)n[nH]1 ZINC000217198188 570313644 /nfs/dbraw/zinc/31/36/44/570313644.db2.gz UVZXBSYBRSGOHZ-NSHDSACASA-N 0 1 375.860 2.496 50 70 GEIAMN O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000217723436 570371582 /nfs/dbraw/zinc/37/15/82/570371582.db2.gz NPVGNYPQZCUENW-KCXPTXFHSA-N 0 1 391.402 2.257 50 70 GEIAMN COc1ccc(Cc2nc(NC(=O)c3cc(-c4ccccn4)n[nH]3)n[nH]2)cc1 ZINC000218453238 208836072 /nfs/dbraw/zinc/83/60/72/208836072.db2.gz WMMJZNPJDHCTLF-UHFFFAOYSA-N 0 1 375.392 2.442 50 70 GEIAMN Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1CN1CCCCC1 ZINC000218121949 136203584 /nfs/dbraw/zinc/20/35/84/136203584.db2.gz QIYWCNHBAZNPIR-UHFFFAOYSA-N 0 1 396.535 2.399 50 70 GEIAMN Cc1nc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)n[nH]1 ZINC000217198182 570313574 /nfs/dbraw/zinc/31/35/74/570313574.db2.gz UVZXBSYBRSGOHZ-LLVKDONJSA-N 0 1 375.860 2.496 50 70 GEIAMN O=C(COc1ccc2c(c1)NC(=O)CC2)Nc1n[nH]c(CCc2ccccc2)n1 ZINC000218483452 570335151 /nfs/dbraw/zinc/33/51/51/570335151.db2.gz WNGVZMUQBIQEPK-UHFFFAOYSA-N 0 1 391.431 2.492 50 70 GEIAMN O=C(COc1ccc2c(c1)NC(=O)CC2)Nc1nc(CCc2ccccc2)n[nH]1 ZINC000218483452 570335153 /nfs/dbraw/zinc/33/51/53/570335153.db2.gz WNGVZMUQBIQEPK-UHFFFAOYSA-N 0 1 391.431 2.492 50 70 GEIAMN COCCn1cnc2ccc(NC(=O)c3cc(-c4ccccn4)n[nH]3)cc2c1=O ZINC000218239618 570328717 /nfs/dbraw/zinc/32/87/17/570328717.db2.gz XXPOIOQFTSFTHO-UHFFFAOYSA-N 0 1 390.403 2.080 50 70 GEIAMN O=C(Cn1cnc2ccsc2c1=O)Nc1n[nH]c(CCc2ccccc2)n1 ZINC000218299615 570330733 /nfs/dbraw/zinc/33/07/33/570330733.db2.gz MVTJKSFRBCSCRA-UHFFFAOYSA-N 0 1 380.433 2.000 50 70 GEIAMN O=C(Cn1cnc2ccsc2c1=O)Nc1nc(CCc2ccccc2)n[nH]1 ZINC000218299615 570330736 /nfs/dbraw/zinc/33/07/36/570330736.db2.gz MVTJKSFRBCSCRA-UHFFFAOYSA-N 0 1 380.433 2.000 50 70 GEIAMN CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccc(Cl)c1)C2 ZINC000218002588 570323848 /nfs/dbraw/zinc/32/38/48/570323848.db2.gz BURXCMJAIKFKSX-SFHVURJKSA-N 0 1 376.888 2.107 50 70 GEIAMN Cc1cc(N2CCN(C(=O)[C@H]3CCC[C@@H](O)C3)CC2)nc(-c2ccccc2O)n1 ZINC000218700679 136203808 /nfs/dbraw/zinc/20/38/08/136203808.db2.gz VZIQBAHADMZAMT-DLBZAZTESA-N 0 1 396.491 2.357 50 70 GEIAMN C[C@H](C(=O)Nc1n[nH]c(CCc2ccccc2)n1)n1cnc2ccccc2c1=O ZINC000218460952 570334858 /nfs/dbraw/zinc/33/48/58/570334858.db2.gz AQCGXUPYBVITAZ-CQSZACIVSA-N 0 1 388.431 2.500 50 70 GEIAMN C[C@H](C(=O)Nc1nc(CCc2ccccc2)n[nH]1)n1cnc2ccccc2c1=O ZINC000218460952 570334861 /nfs/dbraw/zinc/33/48/61/570334861.db2.gz AQCGXUPYBVITAZ-CQSZACIVSA-N 0 1 388.431 2.500 50 70 GEIAMN COC(=O)C[C@@H](c1ccc(F)c(Cl)c1)c1c(O)c(C(=O)OC)c[nH]c1=O ZINC000218607296 211761581 /nfs/dbraw/zinc/76/15/81/211761581.db2.gz SPMMZZHQAOVDRT-VIFPVBQESA-N 0 1 383.759 2.355 50 70 GEIAMN O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1 ZINC000217733563 570320637 /nfs/dbraw/zinc/32/06/37/570320637.db2.gz WMMUXGKPWCNBLO-UHFFFAOYSA-N 0 1 375.392 2.094 50 70 GEIAMN Cc1ccc2nc(CNC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)[nH]c2c1 ZINC000217740715 570320686 /nfs/dbraw/zinc/32/06/86/570320686.db2.gz PLTBWCHJFORMGH-INIZCTEOSA-N 0 1 391.431 2.018 50 70 GEIAMN COC(=O)C[C@H](c1c(F)cccc1Cl)c1c(O)c(C(=O)OC)c[nH]c1=O ZINC000218472505 570335145 /nfs/dbraw/zinc/33/51/45/570335145.db2.gz BGMHOCQUGZLVOS-MRVPVSSYSA-N 0 1 383.759 2.355 50 70 GEIAMN COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(O)cc(C)oc1=O ZINC000217952893 209185667 /nfs/dbraw/zinc/18/56/67/209185667.db2.gz SULRFPXIKUPBNY-AWEZNQCLSA-N 0 1 399.399 2.209 50 70 GEIAMN CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccc(Cl)c1)C2 ZINC000218002501 570323781 /nfs/dbraw/zinc/32/37/81/570323781.db2.gz BURXCMJAIKFKSX-GOSISDBHSA-N 0 1 376.888 2.107 50 70 GEIAMN COc1cn(CC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(C)cc1=O ZINC000218159119 570326493 /nfs/dbraw/zinc/32/64/93/570326493.db2.gz LPNVADKIPYXZSH-UHFFFAOYSA-N 0 1 387.455 2.085 50 70 GEIAMN O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000217723522 209184551 /nfs/dbraw/zinc/18/45/51/209184551.db2.gz NPVGNYPQZCUENW-FBAVSBLXSA-N 0 1 391.402 2.257 50 70 GEIAMN O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000217723250 209185319 /nfs/dbraw/zinc/18/53/19/209185319.db2.gz XIRZRIMQXCVAIQ-KCXPTXFHSA-N 0 1 391.402 2.257 50 70 GEIAMN COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CC3)c1c(O)cc(C)oc1=O ZINC000217940987 209184261 /nfs/dbraw/zinc/18/42/61/209184261.db2.gz BRXZWHOSNBGRGY-AWEZNQCLSA-N 0 1 381.384 2.220 50 70 GEIAMN COC(=O)C[C@@H](c1c(F)cccc1Cl)c1c(O)c(C(=O)OC)c[nH]c1=O ZINC000218472585 570335253 /nfs/dbraw/zinc/33/52/53/570335253.db2.gz BGMHOCQUGZLVOS-QMMMGPOBSA-N 0 1 383.759 2.355 50 70 GEIAMN COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(O)cc(C)oc1=O ZINC000218066667 212113163 /nfs/dbraw/zinc/11/31/63/212113163.db2.gz ZRYJMNLCMCRBRP-LBPRGKRZSA-N 0 1 386.356 2.464 50 70 GEIAMN COC(=O)C[C@H](c1ccc(F)c(Cl)c1)c1c(O)c(C(=O)OC)c[nH]c1=O ZINC000218607226 570337822 /nfs/dbraw/zinc/33/78/22/570337822.db2.gz SPMMZZHQAOVDRT-SECBINFHSA-N 0 1 383.759 2.355 50 70 GEIAMN O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000217723352 212114012 /nfs/dbraw/zinc/11/40/12/212114012.db2.gz XIRZRIMQXCVAIQ-FBAVSBLXSA-N 0 1 391.402 2.257 50 70 GEIAMN COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(O)cc(C)oc1=O ZINC000218026285 212112751 /nfs/dbraw/zinc/11/27/51/212112751.db2.gz BCSXJIXOFAWZGE-LBPRGKRZSA-N 0 1 378.377 2.375 50 70 GEIAMN COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc(C)oc1=O ZINC000217945368 212112806 /nfs/dbraw/zinc/11/28/06/212112806.db2.gz CNXIYQMXJNGVGW-GFCCVEGCSA-N 0 1 378.377 2.375 50 70 GEIAMN CC(C)c1n[nH]c(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1 ZINC000218282745 570329854 /nfs/dbraw/zinc/32/98/54/570329854.db2.gz XWQORJSOXYVYBU-LBPRGKRZSA-N 0 1 390.831 2.031 50 70 GEIAMN CC(C)c1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n[nH]1 ZINC000218282745 570329857 /nfs/dbraw/zinc/32/98/57/570329857.db2.gz XWQORJSOXYVYBU-LBPRGKRZSA-N 0 1 390.831 2.031 50 70 GEIAMN Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)Nc1n[nH]c(C(C)C)n1 ZINC000218344692 570332187 /nfs/dbraw/zinc/33/21/87/570332187.db2.gz NGMLBMDRCMIFAZ-UHFFFAOYSA-N 0 1 397.414 2.436 50 70 GEIAMN Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)Nc1nc(C(C)C)n[nH]1 ZINC000218344692 570332189 /nfs/dbraw/zinc/33/21/89/570332189.db2.gz NGMLBMDRCMIFAZ-UHFFFAOYSA-N 0 1 397.414 2.436 50 70 GEIAMN COC(=O)CC1CCN(Cc2oc(CN3CCCCCC3)cc(=O)c2O)CC1 ZINC000218321061 570820173 /nfs/dbraw/zinc/82/01/73/570820173.db2.gz WLTGHGLESSXYIP-UHFFFAOYSA-N 0 1 392.496 2.497 50 70 GEIAMN COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(O)cc(C)oc1=O ZINC000218088536 212113318 /nfs/dbraw/zinc/11/33/18/212113318.db2.gz PFNOKGOWCAMELT-CYBMUJFWSA-N 0 1 385.372 2.199 50 70 GEIAMN