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](N[C@H](C)c1ccccc1C)c1nc(C)cs1 ZINC000159457714 327644056 /nfs/dbraw/zinc/64/40/56/327644056.db2.gz BFRJPIUSAJVYHI-HIFRSBDPSA-N 0 1 274.433 4.562 20 70 CJIDMN Cc1ccccc1[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000159493379 330848468 /nfs/dbraw/zinc/84/84/68/330848468.db2.gz YEXJHXAYTVYQPP-STQMWFEESA-N 0 1 275.342 4.685 20 70 CJIDMN Cc1ccccc1[C@@H](C)N[C@H](C)c1cccc(F)c1F ZINC000159493505 330848406 /nfs/dbraw/zinc/84/84/06/330848406.db2.gz YEXJHXAYTVYQPP-CHWSQXEVSA-N 0 1 275.342 4.685 20 70 CJIDMN COc1ccc(C)cc1[C@@H](C)NCc1coc2ccccc12 ZINC000159805549 327566362 /nfs/dbraw/zinc/56/63/62/327566362.db2.gz HFJZUFMHOHAXLK-CQSZACIVSA-N 0 1 295.382 4.601 20 70 CJIDMN C[C@H](N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1ccco1 ZINC000160224508 327602816 /nfs/dbraw/zinc/60/28/16/327602816.db2.gz DRNCKUPEYURRNS-TVQRCGJNSA-N 0 1 296.197 4.925 20 70 CJIDMN CC(C)c1ccc([C@H](N[C@@H](C)c2cnccn2)C(C)C)cc1 ZINC000160415187 261213649 /nfs/dbraw/zinc/21/36/49/261213649.db2.gz XEOQLPOMGGKHDM-HNAYVOBHSA-N 0 1 297.446 4.648 20 70 CJIDMN CC(C)c1ccc([C@@H](N[C@@H](C)c2cnccn2)C(C)C)cc1 ZINC000160415308 261213372 /nfs/dbraw/zinc/21/33/72/261213372.db2.gz XEOQLPOMGGKHDM-KXBFYZLASA-N 0 1 297.446 4.648 20 70 CJIDMN CC(C)c1ccc([C@H](N[C@H](C)c2cnccn2)C(C)C)cc1 ZINC000160415432 261213261 /nfs/dbraw/zinc/21/32/61/261213261.db2.gz XEOQLPOMGGKHDM-DNVCBOLYSA-N 0 1 297.446 4.648 20 70 CJIDMN CC(C)c1ccc([C@@H](N[C@H](C)c2cnccn2)C(C)C)cc1 ZINC000160415556 261213525 /nfs/dbraw/zinc/21/35/25/261213525.db2.gz XEOQLPOMGGKHDM-BEFAXECRSA-N 0 1 297.446 4.648 20 70 CJIDMN Cc1cccc([C@@H](C)NCc2ccc(Cl)cc2F)c1 ZINC000160866871 328090808 /nfs/dbraw/zinc/09/08/08/328090808.db2.gz OOFBCZYJSOHMBF-GFCCVEGCSA-N 0 1 277.770 4.638 20 70 CJIDMN Cc1cccc([C@H](C)NCc2ccc(Cl)cc2F)c1 ZINC000160867113 328090725 /nfs/dbraw/zinc/09/07/25/328090725.db2.gz OOFBCZYJSOHMBF-LBPRGKRZSA-N 0 1 277.770 4.638 20 70 CJIDMN CC[C@H](N[C@@H](CC)c1ccc(F)cc1)c1nc(C)cs1 ZINC000160890538 261230260 /nfs/dbraw/zinc/23/02/60/261230260.db2.gz IDLYBXFOFVOWDO-GJZGRUSLSA-N 0 1 292.423 4.783 20 70 CJIDMN CC[C@@H](N[C@@H](CC)c1nc(C)cs1)c1ccc(F)cc1 ZINC000160890707 261230357 /nfs/dbraw/zinc/23/03/57/261230357.db2.gz IDLYBXFOFVOWDO-CABCVRRESA-N 0 1 292.423 4.783 20 70 CJIDMN CC[C@@H](N[C@@H](CC)c1ccc(F)cc1)c1nc(C)cs1 ZINC000160890819 261230419 /nfs/dbraw/zinc/23/04/19/261230419.db2.gz IDLYBXFOFVOWDO-LSDHHAIUSA-N 0 1 292.423 4.783 20 70 CJIDMN CC[C@@H](N[C@H](CC)c1ccc(F)cc1)c1nc(C)cs1 ZINC000160890861 261229863 /nfs/dbraw/zinc/22/98/63/261229863.db2.gz IDLYBXFOFVOWDO-HUUCEWRRSA-N 0 1 292.423 4.783 20 70 CJIDMN Cc1cc([C@@H](C)NCc2cc(F)cc(Cl)c2)c(C)o1 ZINC000160921664 330879848 /nfs/dbraw/zinc/87/98/48/330879848.db2.gz IOGRMIOXMGQVRF-SNVBAGLBSA-N 0 1 281.758 4.540 20 70 CJIDMN Cc1cc([C@H](C)NCc2cc(F)cc(Cl)c2)c(C)o1 ZINC000160921768 330879860 /nfs/dbraw/zinc/87/98/60/330879860.db2.gz IOGRMIOXMGQVRF-JTQLQIEISA-N 0 1 281.758 4.540 20 70 CJIDMN COc1ccc(Cl)cc1[C@H](C)NCc1ccc(C)s1 ZINC000160939482 328096110 /nfs/dbraw/zinc/09/61/10/328096110.db2.gz WZDHWQSMPZMKML-NSHDSACASA-N 0 1 295.835 4.569 20 70 CJIDMN COc1ccc(Cl)cc1[C@@H](C)NCc1ccc(C)s1 ZINC000160939601 328095989 /nfs/dbraw/zinc/09/59/89/328095989.db2.gz WZDHWQSMPZMKML-LLVKDONJSA-N 0 1 295.835 4.569 20 70 CJIDMN Cc1ccc(CN[C@@H](C)c2cc3cc(C)c(C)cc3o2)cn1 ZINC000161272703 261241834 /nfs/dbraw/zinc/24/18/34/261241834.db2.gz PPWBAYGSZJAYHR-HNNXBMFYSA-N 0 1 294.398 4.604 20 70 CJIDMN Cc1ccc(CN[C@H](C)c2cc3cc(C)c(C)cc3o2)cn1 ZINC000161272821 261242308 /nfs/dbraw/zinc/24/23/08/261242308.db2.gz PPWBAYGSZJAYHR-OAHLLOKOSA-N 0 1 294.398 4.604 20 70 CJIDMN Cc1ccc(CN[C@@H](C)c2cc(Cl)cc(Cl)c2)cn1 ZINC000161319484 261243132 /nfs/dbraw/zinc/24/31/32/261243132.db2.gz MUIFADTYSFCRBG-NSHDSACASA-N 0 1 295.213 4.548 20 70 CJIDMN Cc1ccc(CN[C@H](C)c2cc(Cl)cc(Cl)c2)cn1 ZINC000161319583 261243415 /nfs/dbraw/zinc/24/34/15/261243415.db2.gz MUIFADTYSFCRBG-LLVKDONJSA-N 0 1 295.213 4.548 20 70 CJIDMN Cc1ccc(CN[C@@H](C)c2ccc(-c3ccccc3)o2)cn1 ZINC000161320525 329925338 /nfs/dbraw/zinc/92/53/38/329925338.db2.gz HOVJCFAGDZVJCH-HNNXBMFYSA-N 0 1 292.382 4.501 20 70 CJIDMN Cc1ccc(CN[C@H](C)c2ccc(-c3ccccc3)o2)cn1 ZINC000161320632 329925390 /nfs/dbraw/zinc/92/53/90/329925390.db2.gz HOVJCFAGDZVJCH-OAHLLOKOSA-N 0 1 292.382 4.501 20 70 CJIDMN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccc1Cl ZINC000217164021 333119564 /nfs/dbraw/zinc/11/95/64/333119564.db2.gz MNMUCFOXCWYJAL-PIGZYNQJSA-N 0 1 289.781 4.817 20 70 CJIDMN C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccc1Cl ZINC000217164031 329321541 /nfs/dbraw/zinc/32/15/41/329321541.db2.gz MNMUCFOXCWYJAL-APPDUMDISA-N 0 1 289.781 4.817 20 70 CJIDMN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1Cl ZINC000217164039 333119655 /nfs/dbraw/zinc/11/96/55/333119655.db2.gz MNMUCFOXCWYJAL-DIFFPNOSSA-N 0 1 289.781 4.817 20 70 CJIDMN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1Cl ZINC000217164045 329321581 /nfs/dbraw/zinc/32/15/81/329321581.db2.gz MNMUCFOXCWYJAL-GTNSWQLSSA-N 0 1 289.781 4.817 20 70 CJIDMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000217735829 333123425 /nfs/dbraw/zinc/12/34/25/333123425.db2.gz UZVSHJBURDSXKD-XVGQJIODSA-N 0 1 281.399 4.644 20 70 CJIDMN C[C@@H]1C[C@H]1c1ccc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000217736025 333123439 /nfs/dbraw/zinc/12/34/39/333123439.db2.gz UZVSHJBURDSXKD-OMWUSAIZSA-N 0 1 281.399 4.644 20 70 CJIDMN C[C@@H](NCc1cccc2cc[nH]c21)c1ccccc1Cl ZINC000218063894 333126269 /nfs/dbraw/zinc/12/62/69/333126269.db2.gz VACYHDCHEYUCST-GFCCVEGCSA-N 0 1 284.790 4.672 20 70 CJIDMN C[C@H](NCc1cccc2cc[nH]c21)c1ccccc1Cl ZINC000218063959 333126251 /nfs/dbraw/zinc/12/62/51/333126251.db2.gz VACYHDCHEYUCST-LBPRGKRZSA-N 0 1 284.790 4.672 20 70 CJIDMN