smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1nc2cc(Br)ccc2[nH]1)CC1CCOCC1 ZINC000161352260 323223480 /nfs/dbraw/zinc/22/34/80/323223480.db2.gz YBXJDWPPGYGPGS-UHFFFAOYSA-N 0 3 338.249 3.184 40 70 EGIBHN CN(Cc1nc2ccc(Br)cc2[nH]1)CC1CCOCC1 ZINC000161352260 323223482 /nfs/dbraw/zinc/22/34/82/323223482.db2.gz YBXJDWPPGYGPGS-UHFFFAOYSA-N 0 3 338.249 3.184 40 70 EGIBHN CC(C)Oc1cccc(CCCNC(=O)CC2CCN(C)CC2)c1 ZINC000216900481 535035462 /nfs/dbraw/zinc/03/54/62/535035462.db2.gz RAHXXKBLGIEHBJ-UHFFFAOYSA-N 0 3 332.488 3.255 40 70 EGIBHN CN1CCC(C(=O)NCCCSCc2ccccc2Cl)CC1 ZINC000216923746 241223172 /nfs/dbraw/zinc/22/31/72/241223172.db2.gz BBVVCPAEVFYKRH-UHFFFAOYSA-N 0 3 340.920 3.421 40 70 EGIBHN CCCOc1ccccc1CCCNC(=O)CC1CCN(C)CC1 ZINC000216903760 241220444 /nfs/dbraw/zinc/22/04/44/241220444.db2.gz ISMWUHGAKLUUFI-UHFFFAOYSA-N 0 3 332.488 3.256 40 70 EGIBHN CN1CCC(CC(=O)NCCCSCc2ccccc2F)CC1 ZINC000216903501 241220191 /nfs/dbraw/zinc/22/01/91/241220191.db2.gz RCXZXTLJSNFVSI-UHFFFAOYSA-N 0 3 338.492 3.297 40 70 EGIBHN Cc1cccc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000216930269 241225918 /nfs/dbraw/zinc/22/59/18/241225918.db2.gz PFNKAAQCDSVQSH-UHFFFAOYSA-N 0 3 338.451 3.398 40 70 EGIBHN CN1CCC(C(=O)NCCSCc2ccc(Cl)cc2)CC1 ZINC000216919712 241223572 /nfs/dbraw/zinc/22/35/72/241223572.db2.gz MPOOPQLRBSCVSY-UHFFFAOYSA-N 0 3 326.893 3.031 40 70 EGIBHN COc1ccc2c(c1)[C@@H](NC(=O)CC1CCN(C)CC1)CC(C)(C)O2 ZINC000216904826 274131771 /nfs/dbraw/zinc/13/17/71/274131771.db2.gz KLWABUMZSHCIFU-KRWDZBQOSA-N 0 3 346.471 3.146 40 70 EGIBHN CCOC(=O)c1ccc(NC(=O)CC2CCN(C)CC2)cc1Cl ZINC000216902680 241221205 /nfs/dbraw/zinc/22/12/05/241221205.db2.gz NHBQRSRGVBRLJB-UHFFFAOYSA-N 0 3 338.835 3.187 40 70 EGIBHN CCCCOC(=O)c1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000216897316 241220110 /nfs/dbraw/zinc/22/01/10/241220110.db2.gz MNNLZQHUDWFXBQ-UHFFFAOYSA-N 0 3 332.444 3.314 40 70 EGIBHN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CC1CCN(C)CC1 ZINC000216904774 292336246 /nfs/dbraw/zinc/33/62/46/292336246.db2.gz SQSRQIRJRXVQMK-QGZVFWFLSA-N 0 3 330.472 3.445 40 70 EGIBHN Cc1ccc(Cl)cc1N1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000216895123 241217587 /nfs/dbraw/zinc/21/75/87/241217587.db2.gz FKOVSWHRLGZJLP-UHFFFAOYSA-N 0 3 349.906 3.029 40 70 EGIBHN COc1ccc2c(c1)[C@H](NC(=O)CC1CCN(C)CC1)CC(C)(C)O2 ZINC000216904860 456031510 /nfs/dbraw/zinc/03/15/10/456031510.db2.gz KLWABUMZSHCIFU-QGZVFWFLSA-N 0 3 346.471 3.146 40 70 EGIBHN Cc1ccccc1CSCCCNC(=O)CC1CCN(C)CC1 ZINC000216903190 241219276 /nfs/dbraw/zinc/21/92/76/241219276.db2.gz MJQBRALCMIRNLL-UHFFFAOYSA-N 0 3 334.529 3.466 40 70 EGIBHN CC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(OC)c(OC)c1 ZINC000216905337 286868507 /nfs/dbraw/zinc/86/85/07/286868507.db2.gz SLJDYUNDYCJQBX-MRXNPFEDSA-N 0 3 334.460 3.003 40 70 EGIBHN Cc1ccc2c(c1)[C@@H](NC(=O)CC1CCN(C)CC1)CC(C)(C)O2 ZINC000216904657 281083896 /nfs/dbraw/zinc/08/38/96/281083896.db2.gz UPXVHIGUVMDNMZ-KRWDZBQOSA-N 0 3 330.472 3.445 40 70 EGIBHN CN1CCC(C(=O)NCCSCc2ccccc2Cl)CC1 ZINC000216919637 241223324 /nfs/dbraw/zinc/22/33/24/241223324.db2.gz DVLYEVHQFHNGMD-UHFFFAOYSA-N 0 3 326.893 3.031 40 70 EGIBHN CN1CCC(C(=O)NCCSCc2cccc(Cl)c2)CC1 ZINC000216919668 241223395 /nfs/dbraw/zinc/22/33/95/241223395.db2.gz INHYBEFAKUVXCL-UHFFFAOYSA-N 0 3 326.893 3.031 40 70 EGIBHN CCOC(=O)c1cc(NC(=O)CC2CCN(C)CC2)ccc1Cl ZINC000216902626 241221080 /nfs/dbraw/zinc/22/10/80/241221080.db2.gz VEVDGGAVLJPRJK-UHFFFAOYSA-N 0 3 338.835 3.187 40 70 EGIBHN CCOc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1OCC ZINC000216921688 535406741 /nfs/dbraw/zinc/40/67/41/535406741.db2.gz YHSQEFZPNCSDFF-CQSZACIVSA-N 0 3 334.460 3.003 40 70 EGIBHN CN1CCC(CC(=O)NCCSCc2cccc(Cl)c2)CC1 ZINC000216892905 241218246 /nfs/dbraw/zinc/21/82/46/241218246.db2.gz OCQCFISGDLALFE-UHFFFAOYSA-N 0 3 340.920 3.421 40 70 EGIBHN Cc1ccc(CSCCCNC(=O)CC2CCN(C)CC2)cc1 ZINC000216903294 241218997 /nfs/dbraw/zinc/21/89/97/241218997.db2.gz CWEWJCWUBNPPHH-UHFFFAOYSA-N 0 3 334.529 3.466 40 70 EGIBHN CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)C1 ZINC000216907906 536362103 /nfs/dbraw/zinc/36/21/03/536362103.db2.gz HAHCIURJNOAZIU-OAHLLOKOSA-N 0 3 343.471 3.029 40 70 EGIBHN CN1CCC(C(=O)NCCCSCc2cccc(Cl)c2)CC1 ZINC000216923780 241223429 /nfs/dbraw/zinc/22/34/29/241223429.db2.gz VQGSJZKGXDCZBQ-UHFFFAOYSA-N 0 3 340.920 3.421 40 70 EGIBHN CC[C@@H](Oc1cccc2ccccc21)C(=O)NC1CCN(C)CC1 ZINC000217027405 535818216 /nfs/dbraw/zinc/81/82/16/535818216.db2.gz RENXGIZAENXVCO-GOSISDBHSA-N 0 3 326.440 3.208 40 70 EGIBHN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CC1CCN(C)CC1 ZINC000216904737 292335839 /nfs/dbraw/zinc/33/58/39/292335839.db2.gz SQSRQIRJRXVQMK-KRWDZBQOSA-N 0 3 330.472 3.445 40 70 EGIBHN CN1CCC(CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000216895738 536336496 /nfs/dbraw/zinc/33/64/96/536336496.db2.gz LNYZVXXEFMJVFZ-UHFFFAOYSA-N 0 3 329.213 3.259 40 70 EGIBHN CC(C)Oc1ccc(CCCNC(=O)CC2CCN(C)CC2)cc1 ZINC000216900531 241220572 /nfs/dbraw/zinc/22/05/72/241220572.db2.gz VJPJKVUQGUIKJQ-UHFFFAOYSA-N 0 3 332.488 3.255 40 70 EGIBHN CN1CCC(C(=O)NCCCSc2ccc(Cl)cc2)CC1 ZINC000216923495 241222160 /nfs/dbraw/zinc/22/21/60/241222160.db2.gz RYJIGNLLSMJJMO-UHFFFAOYSA-N 0 3 326.893 3.280 40 70 EGIBHN CCOc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1OCC ZINC000216921711 241223541 /nfs/dbraw/zinc/22/35/41/241223541.db2.gz YHSQEFZPNCSDFF-AWEZNQCLSA-N 0 3 334.460 3.003 40 70 EGIBHN CN1CCC(CC(=O)NCCSCc2ccc(Cl)cc2)CC1 ZINC000216892967 241218387 /nfs/dbraw/zinc/21/83/87/241218387.db2.gz ZXOKRNIJYZFRBC-UHFFFAOYSA-N 0 3 340.920 3.421 40 70 EGIBHN CN1CCC(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1 ZINC000216920342 536334758 /nfs/dbraw/zinc/33/47/58/536334758.db2.gz ZVUCYIQCTPRMNW-UHFFFAOYSA-N 0 3 343.471 3.029 40 70 EGIBHN CC[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(OC)c(OC)c1 ZINC000216905375 456030910 /nfs/dbraw/zinc/03/09/10/456030910.db2.gz SLJDYUNDYCJQBX-INIZCTEOSA-N 0 3 334.460 3.003 40 70 EGIBHN CN1CCC(CC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000216892742 241218349 /nfs/dbraw/zinc/21/83/49/241218349.db2.gz YGIVGYOFUWLXPE-UHFFFAOYSA-N 0 3 326.893 3.280 40 70 EGIBHN Cc1cccc(CSCCCNC(=O)CC2CCN(C)CC2)c1 ZINC000216903238 241219793 /nfs/dbraw/zinc/21/97/93/241219793.db2.gz SOVIGCFVJCOMCF-UHFFFAOYSA-N 0 3 334.529 3.466 40 70 EGIBHN CN1CCC(CC(=O)NCCCSCc2ccc(F)cc2)CC1 ZINC000216903554 241219377 /nfs/dbraw/zinc/21/93/77/241219377.db2.gz RIPWGOGPLLRDTJ-UHFFFAOYSA-N 0 3 338.492 3.297 40 70 EGIBHN CCOC(=O)c1ccc(NC(=O)CC2CCN(C)CC2)c(Cl)c1 ZINC000216902728 241219363 /nfs/dbraw/zinc/21/93/63/241219363.db2.gz VIVYCHMMMCJOAG-UHFFFAOYSA-N 0 3 338.835 3.187 40 70 EGIBHN CN(CCCn1ccnc1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000161208715 323223462 /nfs/dbraw/zinc/22/34/62/323223462.db2.gz DNMFMWIJCCSJHN-UHFFFAOYSA-N 0 3 348.248 3.044 40 70 EGIBHN CN(CCCn1ccnc1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000161208715 323223464 /nfs/dbraw/zinc/22/34/64/323223464.db2.gz DNMFMWIJCCSJHN-UHFFFAOYSA-N 0 3 348.248 3.044 40 70 EGIBHN CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)C1 ZINC000216907938 536382398 /nfs/dbraw/zinc/38/23/98/536382398.db2.gz HAHCIURJNOAZIU-HNNXBMFYSA-N 0 3 343.471 3.029 40 70 EGIBHN CN1CCC(C(=O)NCCSCc2c(F)cccc2Cl)CC1 ZINC000216920292 241223556 /nfs/dbraw/zinc/22/35/56/241223556.db2.gz YCBXOHIGJBDSTB-UHFFFAOYSA-N 0 3 344.883 3.170 40 70 EGIBHN CN1CCC(Oc2ccc(CNC(=O)C3CCCCC3)cc2)CC1 ZINC000217016845 241230435 /nfs/dbraw/zinc/23/04/35/241230435.db2.gz RHKLBLZHYTUPAF-UHFFFAOYSA-N 0 3 330.472 3.356 40 70 EGIBHN CC[C@H](Oc1cccc2ccccc21)C(=O)NC1CCN(C)CC1 ZINC000217027439 241233808 /nfs/dbraw/zinc/23/38/08/241233808.db2.gz RENXGIZAENXVCO-SFHVURJKSA-N 0 3 326.440 3.208 40 70 EGIBHN Cc1ccc2c(c1)[C@H](NC(=O)CC1CCN(C)CC1)CC(C)(C)O2 ZINC000216904692 292358580 /nfs/dbraw/zinc/35/85/80/292358580.db2.gz UPXVHIGUVMDNMZ-QGZVFWFLSA-N 0 3 330.472 3.445 40 70 EGIBHN