smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)c(C)c1 ZINC000216922961 292241791 /nfs/dbraw/zinc/24/17/91/292241791.db2.gz PTLNEMDKBMHLGJ-AWEZNQCLSA-N 0 3 274.408 2.822 40 70 CFIBHN CN(C)CCNC(=O)[C@@]12C[C@H]3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000217444825 289163499 /nfs/dbraw/zinc/16/34/99/289163499.db2.gz LRHVDGJTOKRXMB-BGOPPPGBSA-N 0 3 278.440 2.661 40 70 CFIBHN C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(F)cc1 ZINC000216901566 382784638 /nfs/dbraw/zinc/78/46/38/382784638.db2.gz NYQCKTHCRSJWEW-GFCCVEGCSA-N 0 3 278.371 2.735 40 70 CFIBHN CN(C(=O)CC1CCN(C)CC1)C1CCCCC1 ZINC000216902780 382784882 /nfs/dbraw/zinc/78/48/82/382784882.db2.gz SLPRASXQKLCSGK-UHFFFAOYSA-N 0 3 252.402 2.509 40 70 CFIBHN CC[C@@H](CNC(=O)C1CCN(C)CC1)Cc1ccccc1 ZINC000216923956 382785385 /nfs/dbraw/zinc/78/53/85/382785385.db2.gz SXCCDUNCUQPWSS-OAHLLOKOSA-N 0 3 288.435 2.713 40 70 CFIBHN Cc1ccc([C@@H](C)NC(=O)CC2CCN(C)CC2)cc1 ZINC000216901465 382784805 /nfs/dbraw/zinc/78/48/05/382784805.db2.gz MYMZLUVCXNUCIE-CQSZACIVSA-N 0 3 274.408 2.904 40 70 CFIBHN Cc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)c(C)c1 ZINC000216922941 382785243 /nfs/dbraw/zinc/78/52/43/382785243.db2.gz PTLNEMDKBMHLGJ-CQSZACIVSA-N 0 3 274.408 2.822 40 70 CFIBHN Cc1ccc([C@H](C)NC(=O)CC2CCN(C)CC2)cc1 ZINC000216901495 382784869 /nfs/dbraw/zinc/78/48/69/382784869.db2.gz MYMZLUVCXNUCIE-AWEZNQCLSA-N 0 3 274.408 2.904 40 70 CFIBHN CN1CCC(CC(=O)NC2CCCCCCC2)CC1 ZINC000216897469 382784832 /nfs/dbraw/zinc/78/48/32/382784832.db2.gz NZRJOPIZCDRCQM-UHFFFAOYSA-N 0 3 266.429 2.947 40 70 CFIBHN CN1CCC(CC(=O)NCCCc2ccc(F)cc2)CC1 ZINC000216898825 382784661 /nfs/dbraw/zinc/78/46/61/382784661.db2.gz XPWDMENNMVEROA-UHFFFAOYSA-N 0 3 292.398 2.606 40 70 CFIBHN CCOc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1 ZINC000216922870 535406605 /nfs/dbraw/zinc/40/66/05/535406605.db2.gz MTQNENRHBNVNJK-CYBMUJFWSA-N 0 3 290.407 2.604 40 70 CFIBHN CN1CCC(CC(=O)NCCCOC2CCCCC2)CC1 ZINC000216903603 382784646 /nfs/dbraw/zinc/78/46/46/382784646.db2.gz OWUJUABGHXXGPR-UHFFFAOYSA-N 0 3 296.455 2.574 40 70 CFIBHN CN1CCC(C(=O)NCCCSc2ccccc2)CC1 ZINC000216923462 382785317 /nfs/dbraw/zinc/78/53/17/382785317.db2.gz JPICKGWDNDIKSA-UHFFFAOYSA-N 0 3 292.448 2.627 40 70 CFIBHN CC[C@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 ZINC000216901844 382784712 /nfs/dbraw/zinc/78/47/12/382784712.db2.gz BUOOYGFOMRVJDW-INIZCTEOSA-N 0 3 274.408 2.986 40 70 CFIBHN Cc1ccc(S[C@H](C)C(=O)NC2CCN(C)CC2)cc1 ZINC000216930565 382785254 /nfs/dbraw/zinc/78/52/54/382785254.db2.gz VFWIOGHRRRDXAU-CYBMUJFWSA-N 0 3 292.448 2.686 40 70 CFIBHN C[C@H](CCc1ccccc1)NC(=O)CC1CCN(C)CC1 ZINC000216897409 382784698 /nfs/dbraw/zinc/78/46/98/382784698.db2.gz GDKFIOMCYIHJOC-OAHLLOKOSA-N 0 3 288.435 2.856 40 70 CFIBHN CC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 ZINC000216901810 382784762 /nfs/dbraw/zinc/78/47/62/382784762.db2.gz BUOOYGFOMRVJDW-MRXNPFEDSA-N 0 3 274.408 2.986 40 70 CFIBHN Cc1ccc(CCCNC(=O)CC2CCN(C)CC2)cc1 ZINC000216899480 382784840 /nfs/dbraw/zinc/78/48/40/382784840.db2.gz SOTATYOWHCJXGN-UHFFFAOYSA-N 0 3 288.435 2.776 40 70 CFIBHN COc1ccc([C@@H](C)NC(=O)CC2CCN(C)CC2)cc1 ZINC000216901382 382784788 /nfs/dbraw/zinc/78/47/88/382784788.db2.gz UKUJBGUGZFPJKJ-CYBMUJFWSA-N 0 3 290.407 2.604 40 70 CFIBHN CN1CCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000216896370 382784756 /nfs/dbraw/zinc/78/47/56/382784756.db2.gz AAKHZAXCSIBFIV-UHFFFAOYSA-N 0 3 290.451 2.803 40 70 CFIBHN CSc1ccccc1NC(=O)[C@H]1CCCN(C)C1 ZINC000216909240 262341753 /nfs/dbraw/zinc/34/17/53/262341753.db2.gz GTOXDLNQIIOIRJ-NSHDSACASA-N 0 3 264.394 2.689 40 70 CFIBHN CN1CCC(C(=O)NCCSC2CCCCC2)CC1 ZINC000216920152 530047865 /nfs/dbraw/zinc/04/78/65/530047865.db2.gz KSTDIZOVGMGPOG-UHFFFAOYSA-N 0 3 284.469 2.510 40 70 CFIBHN CCOc1cccc(NC(=O)CC2CCN(C)CC2)c1 ZINC000216899784 382784853 /nfs/dbraw/zinc/78/48/53/382784853.db2.gz OARDRNAIUIFNBR-UHFFFAOYSA-N 0 3 276.380 2.756 40 70 CFIBHN CC[C@H](CNC(=O)C1CCN(C)CC1)Cc1ccccc1 ZINC000216923978 189707241 /nfs/dbraw/zinc/70/72/41/189707241.db2.gz SXCCDUNCUQPWSS-HNNXBMFYSA-N 0 3 288.435 2.713 40 70 CFIBHN CN1CCC(CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000216901327 382784595 /nfs/dbraw/zinc/78/45/95/382784595.db2.gz WRAWNYXOQWMZPN-KRWDZBQOSA-N 0 3 286.419 2.912 40 70 CFIBHN CN1CCC(C(=O)NCCCSC2CCCCC2)CC1 ZINC000216923553 382785321 /nfs/dbraw/zinc/78/53/21/382785321.db2.gz UNHYMXTZIMQVNC-UHFFFAOYSA-N 0 3 298.496 2.900 40 70 CFIBHN Cc1ccc(S[C@@H](C)C(=O)NC2CCN(C)CC2)cc1 ZINC000216930542 382785364 /nfs/dbraw/zinc/78/53/64/382785364.db2.gz VFWIOGHRRRDXAU-ZDUSSCGKSA-N 0 3 292.448 2.686 40 70 CFIBHN CCOc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1 ZINC000216922892 382785375 /nfs/dbraw/zinc/78/53/75/382785375.db2.gz MTQNENRHBNVNJK-ZDUSSCGKSA-N 0 3 290.407 2.604 40 70 CFIBHN CC(C)Oc1cccc(NC(=O)C2CCN(C)CC2)c1 ZINC000216920890 382785070 /nfs/dbraw/zinc/78/50/70/382785070.db2.gz UCDLBPDHIIRVKT-UHFFFAOYSA-N 0 3 276.380 2.754 40 70 CFIBHN Cc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1C ZINC000216924717 382785136 /nfs/dbraw/zinc/78/51/36/382785136.db2.gz OJPGRUYZFGIKPB-CQSZACIVSA-N 0 3 274.408 2.822 40 70 CFIBHN CN1CCC(CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000216901294 382784621 /nfs/dbraw/zinc/78/46/21/382784621.db2.gz WRAWNYXOQWMZPN-QGZVFWFLSA-N 0 3 286.419 2.912 40 70 CFIBHN C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C)CC1 ZINC000216897370 382784739 /nfs/dbraw/zinc/78/47/39/382784739.db2.gz GDKFIOMCYIHJOC-HNNXBMFYSA-N 0 3 288.435 2.856 40 70 CFIBHN Cc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1C ZINC000216924737 382785177 /nfs/dbraw/zinc/78/51/77/382785177.db2.gz OJPGRUYZFGIKPB-AWEZNQCLSA-N 0 3 274.408 2.822 40 70 CFIBHN C[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(F)cc1 ZINC000216901597 382784609 /nfs/dbraw/zinc/78/46/09/382784609.db2.gz NYQCKTHCRSJWEW-LBPRGKRZSA-N 0 3 278.371 2.735 40 70 CFIBHN Cc1cccc(CCCNC(=O)CC2CCN(C)CC2)c1 ZINC000216899534 382784894 /nfs/dbraw/zinc/78/48/94/382784894.db2.gz GFPOWCLJITZICG-UHFFFAOYSA-N 0 3 288.435 2.776 40 70 CFIBHN CN(C)CCOC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)CC2 ZINC000217764172 262344542 /nfs/dbraw/zinc/34/45/42/262344542.db2.gz UDELJQZYKSBDHL-FXDBZKHDSA-N 0 3 265.397 2.698 40 70 CFIBHN Cc1ccc(CN(C)C(=O)CC2CCN(C)CC2)cc1 ZINC000216902832 382784772 /nfs/dbraw/zinc/78/47/72/382784772.db2.gz MORJAZAMCKZMJH-UHFFFAOYSA-N 0 3 274.408 2.685 40 70 CFIBHN COc1ccc([C@H](C)NC(=O)CC2CCN(C)CC2)cc1 ZINC000216901414 382784843 /nfs/dbraw/zinc/78/48/43/382784843.db2.gz UKUJBGUGZFPJKJ-ZDUSSCGKSA-N 0 3 290.407 2.604 40 70 CFIBHN CSc1ccccc1NC(=O)[C@@H]1CCCN(C)C1 ZINC000216909209 262341764 /nfs/dbraw/zinc/34/17/64/262341764.db2.gz GTOXDLNQIIOIRJ-LLVKDONJSA-N 0 3 264.394 2.689 40 70 CFIBHN CC(C)C(NC(=O)CC1CCN(C)CC1)C(C)C ZINC000216893153 382784845 /nfs/dbraw/zinc/78/48/45/382784845.db2.gz ANXYCRAOZNREMS-UHFFFAOYSA-N 0 3 254.418 2.515 40 70 CFIBHN