smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)cc(Br)c1I ZINC000040571450 277373136 /nfs/dbraw/zinc/37/31/36/277373136.db2.gz LIHJFIKLSASQIH-UHFFFAOYSA-N 0 0 326.959 3.371 30 0 EGACRN OCc1ccc(I)cc1OCc1ccccc1 ZINC000148743225 1293884734 /nfs/dbraw/zinc/88/47/34/1293884734.db2.gz LUDGNKBLIRJRCV-UHFFFAOYSA-N 0 0 340.160 3.363 30 0 EGACRN CNc1ccc(-c2ccc3cc(OC[C@@H](O)CF)ccc3n2)cn1 ZINC000148924627 1293884981 /nfs/dbraw/zinc/88/49/81/1293884981.db2.gz DLVXFZWSPCOWSN-AWEZNQCLSA-N 0 0 327.359 3.048 30 0 EGACRN Cc1nc2c(Br)cc(C)cn2c1-c1csc(=NN)[nH]1 ZINC000004244073 452796923 /nfs/dbraw/zinc/79/69/23/452796923.db2.gz PXQHXJCYXKXKIK-UHFFFAOYSA-N 0 0 338.234 3.123 30 0 EGACRN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)CC(=O)OC(C)(C)C ZINC000139814143 1293845867 /nfs/dbraw/zinc/84/58/67/1293845867.db2.gz FGKFTCDIARXOCS-QGZVFWFLSA-N 0 0 349.427 3.238 30 0 EGACRN CC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)/c(=N/C#N)s1 ZINC000015444213 453573524 /nfs/dbraw/zinc/57/35/24/453573524.db2.gz AHEXIINQQRQDPI-WJDWOHSUSA-N 0 0 347.614 3.478 30 0 EGACRN O=C(c1c(F)ccc(I)c1F)C(F)(F)F ZINC000040571895 213352022 /nfs/dbraw/zinc/35/20/22/213352022.db2.gz CEQDYJOGGDVQON-UHFFFAOYSA-N 0 0 335.997 3.314 30 0 EGACRN Brc1cnc(NC2CCCC2)nc1NC1CCCC1 ZINC000504430029 262496221 /nfs/dbraw/zinc/49/62/21/262496221.db2.gz QATIDZKKYWRRDV-UHFFFAOYSA-N 0 0 325.254 3.370 30 0 EGACRN O=C(c1c(F)cc(I)cc1F)C(F)(F)F ZINC000040571937 280156742 /nfs/dbraw/zinc/15/67/42/280156742.db2.gz VWFPLVFACKIIMO-UHFFFAOYSA-N 0 0 335.997 3.314 30 0 EGACRN COc1c(OC(C)=O)c2ccc(Cl)cc2c(OC(C)=O)c1OC ZINC000000001630 452492163 /nfs/dbraw/zinc/49/21/63/452492163.db2.gz IFWMVQUGSGWCRP-UHFFFAOYSA-N 0 0 338.743 3.361 30 0 investigational EGACRN O=C(c1c(F)ccc(F)c1I)C(F)(F)F ZINC000040571910 280156865 /nfs/dbraw/zinc/15/68/65/280156865.db2.gz GSGVCPQEOZCXOS-UHFFFAOYSA-N 0 0 335.997 3.314 30 0 EGACRN COC(=O)c1sc(NCc2ccccc2)nc1Br ZINC000015444425 453573794 /nfs/dbraw/zinc/57/37/94/453573794.db2.gz YLFKTDNOBAIQDU-UHFFFAOYSA-N 0 0 327.203 3.304 30 0 EGACRN CCCOc1cccc(Oc2cc3c(cc2N)n(C)c(=O)n3C)c1 ZINC001690110810 1404307991 /nfs/dbraw/zinc/30/79/91/1404307991.db2.gz GOCYRUJORHJQLB-UHFFFAOYSA-N 0 0 327.384 3.040 30 0 EGACRN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)c1nc(Cl)ns1 ZINC000004290516 210162259 /nfs/dbraw/zinc/16/22/59/210162259.db2.gz HVEHFDBMEIMEGY-UHFFFAOYSA-N 0 0 343.644 3.472 30 0 EGACRN COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl ZINC000116739525 1293210414 /nfs/dbraw/zinc/21/04/14/1293210414.db2.gz BCALDKXBXSNSBC-UHFFFAOYSA-N 0 0 326.824 3.406 30 0 EGACRN CC(C)(C)[S@](=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000214487851 1296114078 /nfs/dbraw/zinc/11/40/78/1296114078.db2.gz UCNCTYJSBALWII-SGTLLEGYSA-N 0 0 331.279 3.443 30 0 EGACRN CC(C)(C)OC(=O)N1CCC(n2ccc(Br)n2)CC1 ZINC000142876857 454839007 /nfs/dbraw/zinc/83/90/07/454839007.db2.gz HZVCWGMCTPAYAC-UHFFFAOYSA-N 0 0 330.226 3.218 30 0 EGACRN Cc1noc(C)c1-c1cnc2c(I)c[nH]c2c1 ZINC000218811726 1296121755 /nfs/dbraw/zinc/12/17/55/1296121755.db2.gz VPMQATPKTRVTSS-UHFFFAOYSA-N 0 0 339.136 3.439 30 0 EGACRN CC(C)n1cc(-c2ccnc(Cl)n2)c(I)n1 ZINC000146593893 454859729 /nfs/dbraw/zinc/85/97/29/454859729.db2.gz NVQXUVPDZGMTOH-UHFFFAOYSA-N 0 0 348.575 3.179 30 0 EGACRN CC(C)(C)OC(=O)Nc1cnc(F)cc1I ZINC000114174246 454946534 /nfs/dbraw/zinc/94/65/34/454946534.db2.gz DYQCBPRXZVCWTJ-UHFFFAOYSA-N 0 0 338.120 3.172 30 0 EGACRN CCOc1c(F)cc(I)c(OCC)c1F ZINC000040571652 213352421 /nfs/dbraw/zinc/35/24/21/213352421.db2.gz DJIZVWOCNLGXPK-UHFFFAOYSA-N 0 0 328.096 3.367 30 0 EGACRN COC(=O)c1c(Cl)cc(Br)c(N)c1Br ZINC000040571548 277148158 /nfs/dbraw/zinc/14/81/58/277148158.db2.gz DJKGCPPEJRZBKL-UHFFFAOYSA-N 0 0 343.402 3.234 30 0 EGACRN O=S(=O)(Cc1ccc(Cl)cc1Cl)c1nc(Cl)ns1 ZINC000004290534 210162471 /nfs/dbraw/zinc/16/24/71/210162471.db2.gz DCPMUXGOORBFNT-UHFFFAOYSA-N 0 0 343.644 3.472 30 0 EGACRN CC(=O)Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2 ZINC000004291011 277064218 /nfs/dbraw/zinc/06/42/18/277064218.db2.gz NXRINTMIXLJKDS-UHFFFAOYSA-N 0 0 331.755 3.301 30 0 EGACRN Fc1cc(F)c(I)c(Br)c1F ZINC000063339594 279458942 /nfs/dbraw/zinc/45/89/42/279458942.db2.gz JDTAYNPENYHOOC-UHFFFAOYSA-N 0 0 336.876 3.471 30 0 EGACRN Cc1nc2c(C)cc(Br)cn2c1-c1csc(=NN)[nH]1 ZINC000004244070 282006659 /nfs/dbraw/zinc/00/66/59/282006659.db2.gz GPRFQJMAAUKSRL-UHFFFAOYSA-N 0 0 338.234 3.123 30 0 EGACRN Nc1cc(Br)c(Cl)cc1I ZINC000067796620 279695409 /nfs/dbraw/zinc/69/54/09/279695409.db2.gz PZIRCWGIMZMJTA-UHFFFAOYSA-N 0 0 332.366 3.289 30 0 EGACRN COc1cc(N)c(C(=O)c2cccc(Br)c2)cc1OC ZINC000004245253 210151133 /nfs/dbraw/zinc/15/11/33/210151133.db2.gz HXTDCSNZXQTBAD-UHFFFAOYSA-N 0 0 336.185 3.280 30 0 EGACRN