smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CN=c1[n-]c(C2CCC2)no1)C(=O)[O-] ZINC000576519910 365616110 /nfs/dbraw/zinc/61/61/10/365616110.db2.gz INGORTFMZPFERR-ZCFIWIBFSA-N -2 0 225.248 0.892 20 0 BCADRL CC(C)(CCC(=O)[O-])NC(=O)CCC(=O)[O-] ZINC000261569681 188259752 /nfs/dbraw/zinc/25/97/52/188259752.db2.gz GKKLPONTBSDKIS-UHFFFAOYSA-N -2 0 231.248 0.611 20 0 BCADRL C[C@H](CN(C)C(=O)CCC(=O)[O-])C(=O)[O-] ZINC000581824232 367832148 /nfs/dbraw/zinc/83/21/48/367832148.db2.gz CJUHAJCLURKJTF-ZCFIWIBFSA-N -2 0 217.221 0.030 20 0 BCADRL CC(C)[C@@H](C(=O)[O-])C(=O)NCCCC(=O)[O-] ZINC000566235379 326020248 /nfs/dbraw/zinc/02/02/48/326020248.db2.gz SLNRCAZLCMPAJN-MRVPVSSYSA-N -2 0 231.248 0.324 20 0 BCADRL O=C([O-])CCC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000020173921 367968684 /nfs/dbraw/zinc/96/86/84/367968684.db2.gz XRQYMSKXSGXNPF-UHFFFAOYSA-N -2 0 243.259 0.611 20 0 BCADRL 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239.231 0.182 20 0 BCADRL CC[C@@H](C(=O)[O-])C(=O)[N-]O[C@H](CO)C(C)C ZINC000911815161 639804048 /nfs/dbraw/zinc/80/40/48/639804048.db2.gz UNKLSCKLYLAPJF-HTQZYQBOSA-N -2 0 233.264 0.162 20 0 BCADRL CC[C@@H](C(=O)[O-])C(=O)[N-]OCC(F)(F)F ZINC000911805244 639827552 /nfs/dbraw/zinc/82/75/52/639827552.db2.gz JVQWLWGXKXJGND-SCSAIBSYSA-N -2 0 229.154 0.707 20 0 BCADRL CCCO[N-]C(=O)Cn1cc(C(=O)[O-])cn1 ZINC000911808628 639829320 /nfs/dbraw/zinc/82/93/20/639829320.db2.gz FKDMBHKOYMMQQK-UHFFFAOYSA-N -2 0 227.220 0.039 20 0 BCADRL CC(C)[C@H](CO)O[N-]C(=O)C(C)(C)C(=O)[O-] ZINC000911812003 639832788 /nfs/dbraw/zinc/83/27/88/639832788.db2.gz GNZFQUFCYRTVAM-ZETCQYMHSA-N -2 0 233.264 0.162 20 0 BCADRL O=C([O-])CNC(=O)c1ccc(F)cc1[O-] ZINC000236423681 346239234 /nfs/dbraw/zinc/23/92/34/346239234.db2.gz SOTIOSXMVLJLLV-UHFFFAOYSA-N -2 0 213.164 0.346 20 0 BCADRL C[C@@H]1CCN(C(=O)CCC(=O)[O-])C[C@H]1C(=O)[O-] ZINC000577280258 365916571 /nfs/dbraw/zinc/91/65/71/365916571.db2.gz KIQWAEPFDXVQCP-HTQZYQBOSA-N -2 0 243.259 0.420 20 0 BCADRL C[C@H](C(=O)[O-])C(=O)NCCCCCC(=O)[O-] ZINC000575868039 365396511 /nfs/dbraw/zinc/39/65/11/365396511.db2.gz MNZGLLODGWJXPX-ZETCQYMHSA-N -2 0 231.248 0.468 20 0 BCADRL O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000647727101 385704527 /nfs/dbraw/zinc/70/45/27/385704527.db2.gz IYDILFQYXJCMRP-RNFRBKRXSA-N -2 0 241.243 0.221 20 0 BCADRL CC(C)(C(=O)[O-])C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000647727571 385747449 /nfs/dbraw/zinc/74/74/49/385747449.db2.gz QHBSBKBKOXALJQ-ZCFIWIBFSA-N -2 0 229.232 0.030 20 0 BCADRL CC(C)C[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC000165509076 388252902 /nfs/dbraw/zinc/25/29/02/388252902.db2.gz OISQCVBSNZRRPX-RNFRBKRXSA-N -2 0 231.248 0.323 20 0 BCADRL O=C([O-])c1cccc(N2CC[C@H](C(=O)[O-])C2)n1 ZINC000263493481 135356916 /nfs/dbraw/zinc/35/69/16/135356916.db2.gz JCOMOMQRAGXTQZ-ZETCQYMHSA-N -2 0 236.227 0.691 20 0 BCADRL C[C@H](C(=O)[O-])N(C(=O)CCC(=O)[O-])C1CC1 ZINC000263539131 135358790 /nfs/dbraw/zinc/35/87/90/135358790.db2.gz 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245.275 0.450 20 0 BCADRL O=C([O-])C1(C(=O)[N-]OC2CCC2)CCC1 ZINC000911815195 639804556 /nfs/dbraw/zinc/80/45/56/639804556.db2.gz VIOZULVOEUHEQY-UHFFFAOYSA-N -2 0 213.233 0.842 20 0 BCADRL O=C([O-])C1(C(=O)[N-]OCC2CC2)CCC1 ZINC000911808799 639828834 /nfs/dbraw/zinc/82/88/34/639828834.db2.gz ISZUCHUXSXOHMO-UHFFFAOYSA-N -2 0 213.233 0.699 20 0 BCADRL CCCO[N-]C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC000911809156 639830457 /nfs/dbraw/zinc/83/04/57/639830457.db2.gz JYUPHTVCNXPERE-FXQIFTODSA-N -2 0 231.248 0.322 20 0 BCADRL O=C([O-])c1ccn(CC(=O)[N-]OCC2CC2)n1 ZINC000911809254 639831470 /nfs/dbraw/zinc/83/14/70/639831470.db2.gz KCZGMXCTCCFYHQ-UHFFFAOYSA-N -2 0 239.231 0.039 20 0 BCADRL CC(C)O[N-]C(=O)[C@H](C(=O)[O-])C(C)C ZINC000911810435 639833191 /nfs/dbraw/zinc/83/31/91/639833191.db2.gz PELBCOWABGROLC-SSDOTTSWSA-N -2 0 203.238 0.799 20 0 BCADRL