smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000409334519 230413580 /nfs/dbraw/zinc/41/35/80/230413580.db2.gz SLLARZHOJDOKBL-REWJHTLYSA-N 0 0 283.802 4.493 40 10 CICBRN Cc1sc(N=Nc2c(O)ccc3ccccc32)[n+]([O-])c1C ZINC000104198130 185927261 /nfs/dbraw/zinc/92/72/61/185927261.db2.gz NDKSLPLAGHJOFE-WUKNDPDISA-N 0 0 299.355 4.273 40 10 CICBRN O=Cc1ccc(CCc2ccccc2)n1Cc1ccccc1 ZINC000226028846 189768523 /nfs/dbraw/zinc/76/85/23/189768523.db2.gz VELKFLIEOIUTOJ-UHFFFAOYSA-N 0 0 289.378 4.134 40 10 CICBRN COc1ccc(/N=N/c2c(C)nc3ccccn32)cc1 ZINC000096191954 256805124 /nfs/dbraw/zinc/80/51/24/256805124.db2.gz WYVXCQDMYWYLMD-ISLYRVAYSA-N 0 0 266.304 4.067 40 10 CICBRN COc1ccc(/N=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000004829422 170025753 /nfs/dbraw/zinc/02/57/53/170025753.db2.gz NUUBRSPCNKHXJP-CCEZHUSRSA-N 0 0 257.249 4.019 40 10 CICBRN Cc1cc(C=O)c(C)n1-c1ccccc1N1CCCCCC1 ZINC000008701904 170347254 /nfs/dbraw/zinc/34/72/54/170347254.db2.gz BMWSYSMQUAUCMY-UHFFFAOYSA-N 0 0 296.414 4.287 40 10 CICBRN COc1ccc(NC=CC(=S)c2ccccc2)cc1 ZINC000016216897 170690530 /nfs/dbraw/zinc/69/05/30/170690530.db2.gz YLXZFNAXYTUQKL-VAWYXSNFSA-N 0 0 269.369 4.039 40 10 CICBRN COC1=CC(=NNc2cccc(C)c2C)C=C(C=O)C1=O ZINC000070461666 175943462 /nfs/dbraw/zinc/94/34/62/175943462.db2.gz KSWPHZONTUMQTI-ISLYRVAYSA-N 0 0 284.315 4.246 40 10 CICBRN CCC1(c2cc(C)ccc2C)C(=O)c2ccccc2C1=O ZINC000408733247 527815861 /nfs/dbraw/zinc/81/58/61/527815861.db2.gz GZLXJHRBEFRGGW-UHFFFAOYSA-N 0 0 278.351 4.030 40 10 CICBRN COC1=CC(=NNc2ccc(C)c(C)c2)C=C(C=O)C1=O ZINC000070461670 566865223 /nfs/dbraw/zinc/86/52/23/566865223.db2.gz WTWQHOBBLVJHAH-ISLYRVAYSA-N 0 0 284.315 4.246 40 10 CICBRN CCN1c2ccccc2Oc2cc(C(C)=O)ccc21 ZINC000026460946 566944092 /nfs/dbraw/zinc/94/40/92/566944092.db2.gz JVRDQVVNLFQGFE-UHFFFAOYSA-N 0 0 253.301 4.153 40 10 CICBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccccc1O ZINC000001686894 566996057 /nfs/dbraw/zinc/99/60/57/566996057.db2.gz MEYYCAJJBLPNLA-UKTHLTGXSA-N 0 0 298.725 4.027 40 10 CICBRN Cc1ccc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000136228763 567047851 /nfs/dbraw/zinc/04/78/51/567047851.db2.gz FBCCMBSVYPTRIE-UHFFFAOYSA-N 0 0 278.311 4.361 40 10 CICBRN COc1ccc(-c2ccc(C)n2-c2ccccc2)cc1 ZINC000199745384 567048776 /nfs/dbraw/zinc/04/87/76/567048776.db2.gz LGKBTOHKYDCMPK-UHFFFAOYSA-N 0 0 263.340 4.461 40 10 CICBRN Clc1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000033482718 567081202 /nfs/dbraw/zinc/08/12/02/567081202.db2.gz UFHMZCTUFNRIAE-CUFDPUGPSA-N 0 0 283.802 4.493 40 10 CICBRN CC(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1 ZINC000018067899 567106565 /nfs/dbraw/zinc/10/65/65/567106565.db2.gz AYKOZZPOOKONTQ-ISLYRVAYSA-N 0 0 267.332 4.371 40 10 CICBRN CC[C@@H](c1ccccc1)[C@H](CC)c1cc(O)c(O)c(O)c1 ZINC000001670148 567840833 /nfs/dbraw/zinc/84/08/33/567840833.db2.gz ISDIKFNVTHSTFC-LSDHHAIUSA-N 0 0 286.371 4.491 40 10 CICBRN CC1=CC(=NNc2ccc([N+](=O)[O-])cc2)C=CC1=O ZINC000104167689 567916176 /nfs/dbraw/zinc/91/61/76/567916176.db2.gz NFYJEGQHQIAKOP-CCEZHUSRSA-N 0 0 257.249 4.024 40 10 CICBRN NC(=O)C1=Cc2ccccc2C(=NNc2ccccc2)C1=O ZINC000104351861 567916720 /nfs/dbraw/zinc/91/67/20/567916720.db2.gz KRDQHAPHILKHGU-VXPUYCOJSA-N 0 0 291.310 4.060 40 10 CICBRN Fc1cccc2c1N[C@@H](c1ccccn1)[C@@H]1CC=C[C@H]21 ZINC000000318584 567929476 /nfs/dbraw/zinc/92/94/76/567929476.db2.gz REWFWFNOWIQSAY-CJBNDPTMSA-N 0 0 266.319 4.047 40 10 CICBRN Cc1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000409332626 567935159 /nfs/dbraw/zinc/93/51/59/567935159.db2.gz LEQIIDZNYDYEOA-GEEKYZPCSA-N 0 0 263.384 4.148 40 10 CICBRN CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000216096353 567942408 /nfs/dbraw/zinc/94/24/08/567942408.db2.gz AQBPDLRKTHCWMP-UHFFFAOYSA-N 0 0 299.374 4.053 40 10 CICBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C\[N+](=O)[O-])cc21 ZINC000208467312 570299884 /nfs/dbraw/zinc/29/98/84/570299884.db2.gz SHBWDTPWNAWWBM-WAYWQWQTSA-N 0 0 292.766 4.219 40 10 CICBRN COc1ccc(/N=N\N(C)/N=N\c2ccc(OC)cc2)cc1 ZINC000104211198 185932423 /nfs/dbraw/zinc/93/24/23/185932423.db2.gz BOOKCMGKPJDYTB-YGGBKCGDSA-N 0 0 299.334 4.333 40 10 CICBRN COc1cccc(-n2c(C)ccc2-c2ccccc2)c1 ZINC000002022456 169768509 /nfs/dbraw/zinc/76/85/09/169768509.db2.gz WPKJGSOWEDMETP-UHFFFAOYSA-N 0 0 263.340 4.461 40 10 CICBRN Fc1cc(F)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 ZINC000004004331 169928903 /nfs/dbraw/zinc/92/89/03/169928903.db2.gz SECYMZWHUFZRKC-NVGCLXPQSA-N 0 0 284.309 4.186 40 10 CICBRN CN(C)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000058886032 175629479 /nfs/dbraw/zinc/62/94/79/175629479.db2.gz RGHMSIAAFRNLKD-UHFFFAOYSA-N 0 0 272.735 4.214 40 10 CICBRN Cc1cc(Cl)ccc1NN=C1C=CC(=O)C(CO)=C1 ZINC000070461977 175943419 /nfs/dbraw/zinc/94/34/19/175943419.db2.gz OIPMZKJUVOLQKZ-WUKNDPDISA-N 0 0 276.723 4.262 40 10 CICBRN COC1=CC(=NNc2cc(C)ccc2C)C=C(C=O)C1=O ZINC000070461668 566864673 /nfs/dbraw/zinc/86/46/73/566864673.db2.gz GFVQWDZHHIWHFU-ISLYRVAYSA-N 0 0 284.315 4.246 40 10 CICBRN Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N)cc1)N2 ZINC000000051867 567817062 /nfs/dbraw/zinc/81/70/62/567817062.db2.gz IGQHKCQCOKAXOE-FCEWJHQRSA-N 0 0 276.383 4.404 40 10 CICBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2 ZINC000000972008 567835401 /nfs/dbraw/zinc/83/54/01/567835401.db2.gz VWYPUMCAQAMYSF-GJYPPUQNSA-N 0 0 290.366 4.111 40 10 CICBRN c1ccc(-c2ccc(/N=N/N3CCCC3)cc2)cc1 ZINC000001651065 567839959 /nfs/dbraw/zinc/83/99/59/567839959.db2.gz MRYPNJVMVATAJI-ISLYRVAYSA-N 0 0 251.333 4.448 40 10 CICBRN CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(O)c1 ZINC000001665030 567840439 /nfs/dbraw/zinc/84/04/39/567840439.db2.gz KWYPVFQNTRXTSH-HOTGVXAUSA-N 0 0 286.371 4.491 40 10 CICBRN COC(=O)c1ccccc1NN=Nc1ccccc1Cl ZINC000016955066 567874167 /nfs/dbraw/zinc/87/41/67/567874167.db2.gz OZVOTGAYPWSKEN-UHFFFAOYSA-N 0 0 289.722 4.237 40 10 CICBRN c1ccc(/N=N/C2=NN(c3ccccc3)CS2)cc1 ZINC000017108595 567874783 /nfs/dbraw/zinc/87/47/83/567874783.db2.gz DVUDRXYYMWNTSA-FOCLMDBBSA-N 0 0 268.345 4.252 40 10 CICBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccccc1O ZINC000017314811 567875530 /nfs/dbraw/zinc/87/55/30/567875530.db2.gz MEYYCAJJBLPNLA-LCYFTJDESA-N 0 0 298.725 4.027 40 10 CICBRN Nc1c(F)c(F)c(/N=N\c2ccccc2)c(F)c1F ZINC000017426997 567875548 /nfs/dbraw/zinc/87/55/48/567875548.db2.gz WPFCVSNSFWZDNH-HNENSFHCSA-N 0 0 269.201 4.241 40 10 CICBRN CC(=O)c1cccc(N=NNc2cccc(C(C)=O)c2)c1 ZINC000018158321 567877065 /nfs/dbraw/zinc/87/70/65/567877065.db2.gz KPRVIEFIYDOULC-UHFFFAOYSA-N 0 0 281.315 4.203 40 10 CICBRN CN(C)/C=C1\Sc2ccccc2N=C1c1ccccc1 ZINC000019819376 567879281 /nfs/dbraw/zinc/87/92/81/567879281.db2.gz MRFBCIBDNZOVDD-VBKFSLOCSA-N 0 0 280.396 4.316 40 10 CICBRN C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21 ZINC000001481969 567881187 /nfs/dbraw/zinc/88/11/87/567881187.db2.gz ZPMKQFOGINQDAM-UHFFFAOYSA-N 0 0 293.410 4.181 40 10 investigational CICBRN COc1ccc(/N=N/N(C)/N=N\c2ccc(OC)cc2)cc1 ZINC000104211201 567916320 /nfs/dbraw/zinc/91/63/20/567916320.db2.gz BOOKCMGKPJDYTB-JQNBNMKOSA-N 0 0 299.334 4.333 40 10 CICBRN Cc1ccc(C(=O)C(=O)c2cccc(Cl)c2)c(Cl)c1 ZINC000409204826 567934822 /nfs/dbraw/zinc/93/48/22/567934822.db2.gz LGIMTSFFTLZHFP-UHFFFAOYSA-N 0 0 293.149 4.367 40 10 CICBRN CCc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000000064698 567935753 /nfs/dbraw/zinc/93/57/53/567935753.db2.gz VQYAVAQDGYEXQL-QGOAFFKASA-N 0 0 290.366 4.055 40 10 CICBRN CN(C)c1ccc(CNc2ccc(F)c(Cl)c2)cc1 ZINC000000575648 567936655 /nfs/dbraw/zinc/93/66/55/567936655.db2.gz UNFGVHXDFJKBBQ-UHFFFAOYSA-N 0 0 278.758 4.157 40 10 CICBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C\[N+](=O)[O-])cc21 ZINC000208262841 567946628 /nfs/dbraw/zinc/94/66/28/567946628.db2.gz NBYLBEIHPYSSFE-WWQCOOJYSA-N 0 0 294.782 4.309 40 10 CICBRN Cc1cc2nc(-c3ccc(N(C)C)cc3)oc2c(C)c1 ZINC000216878753 570346918 /nfs/dbraw/zinc/34/69/18/570346918.db2.gz UJLDDGKYTCVQPC-UHFFFAOYSA-N 0 0 266.344 4.178 40 10 CICBRN C1=C[C@H]2c3ccccc3N[C@@H](c3ccc4c(c3)OCO4)[C@H]2C1 ZINC000036081257 570380809 /nfs/dbraw/zinc/38/08/09/570380809.db2.gz UWEIEKDPXVVQDU-RFUYNDQBSA-N 0 0 291.350 4.242 40 10 CICBRN CCC1(c2cc(C)c(C)c(C)c2)C(=O)c2ccccc2C1=O ZINC000033704255 570380877 /nfs/dbraw/zinc/38/08/77/570380877.db2.gz HYYWOLKYODNMEL-UHFFFAOYSA-N 0 0 292.378 4.339 40 10 CICBRN CCOC(=O)[C@@H](C(C)C)n1c(C)ccc1-c1ccccc1 ZINC000095951458 185039921 /nfs/dbraw/zinc/03/99/21/185039921.db2.gz CUJYYEXFWZDANQ-QGZVFWFLSA-N 0 0 285.387 4.224 40 10 CICBRN Nc1ccc(Oc2ccc(N)cc2-c2ccccc2)cc1 ZINC000098180674 185699119 /nfs/dbraw/zinc/69/91/19/185699119.db2.gz MXVHUTKGCQIBCD-UHFFFAOYSA-N 0 0 276.339 4.310 40 10 CICBRN CC(=O)c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000113688854 186590643 /nfs/dbraw/zinc/59/06/43/186590643.db2.gz MTBVXIAJCWJTAV-UHFFFAOYSA-N 0 0 281.277 4.316 40 10 CICBRN CC(C)(C)CC(C)(C)c1ccc(O)c(C[N+](C)(C)[O-])c1 ZINC000001706292 169746175 /nfs/dbraw/zinc/74/61/75/169746175.db2.gz JLMGNCQHXBKNML-UHFFFAOYSA-N 0 0 279.424 4.180 40 10 in-vitro CICBRN O=C1C=CC(=NNc2nc3ccccc3s2)C=C1 ZINC000004832911 170026117 /nfs/dbraw/zinc/02/61/17/170026117.db2.gz WYRXPQUYGXJFOU-FOCLMDBBSA-N 0 0 255.302 4.417 40 10 CICBRN Cc1ccc(N=NNc2cccc([N+](=O)[O-])c2)cc1C ZINC000005618119 170120641 /nfs/dbraw/zinc/12/06/41/170120641.db2.gz KZFRFOVBAPAJNA-UHFFFAOYSA-N 0 0 270.292 4.322 40 10 CICBRN O=C1c2ccccc2C(=O)c2c(-c3ccccc3)cccc21 ZINC000005707166 170131935 /nfs/dbraw/zinc/13/19/35/170131935.db2.gz WAXMTENYNOYEBU-UHFFFAOYSA-N 0 0 284.314 4.129 40 10 CICBRN Cc1ccc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000005931006 170157096 /nfs/dbraw/zinc/15/70/96/170157096.db2.gz HJDMPOPCMPKYDN-UHFFFAOYSA-N 0 0 278.311 4.361 40 10 CICBRN Fc1cccc(C(=S)SCc2ccccc2)c1 ZINC000071256983 176095959 /nfs/dbraw/zinc/09/59/59/176095959.db2.gz DLJHBIGJSGSUQO-UHFFFAOYSA-N 0 0 262.374 4.435 40 10 CICBRN Cc1ccc2oc(=O)c(-c3ccccc3[S-])c(C)c2c1 ZINC000071404987 176155387 /nfs/dbraw/zinc/15/53/87/176155387.db2.gz PAVYGQNKWDQYTG-UHFFFAOYSA-N 0 0 282.364 4.123 40 10 CICBRN COC(=O)c1ccccc1N=Nc1cc(C)c(C)cc1O ZINC000104181711 534286952 /nfs/dbraw/zinc/28/69/52/534286952.db2.gz CUJXRPCBUYGJOU-ISLYRVAYSA-N 0 0 284.315 4.211 40 10 CICBRN CCc1cccc2c(Nc3ccc(N)cc3)ccnc12 ZINC000064875362 567110109 /nfs/dbraw/zinc/11/01/09/567110109.db2.gz ZMDRGROOMFNGFS-UHFFFAOYSA-N 0 0 263.344 4.123 40 10 CICBRN O=C1c2oc3c(ccc4ccccc34)c2C(=O)c2ccccc21 ZINC000001564318 567838050 /nfs/dbraw/zinc/83/80/50/567838050.db2.gz ALXCRFWBTUYTAV-UHFFFAOYSA-N 0 0 298.297 4.361 40 10 CICBRN O=C1c2ccccc2C(=O)C1(c1ccccc1)c1ccccc1 ZINC000001697963 567841853 /nfs/dbraw/zinc/84/18/53/567841853.db2.gz FEKIAHWXEOWQJO-UHFFFAOYSA-N 0 0 298.341 4.052 40 10 CICBRN O=c1ccc2cc(/N=N/c3ccccc3)ccc2o1 ZINC000004109572 567855406 /nfs/dbraw/zinc/85/54/06/567855406.db2.gz CNORDUGJKVSSOA-WUKNDPDISA-N 0 0 250.257 4.208 40 10 CICBRN CC(=O)N(C(C)=O)c1ccc(/N=N/c2ccccc2)cc1C ZINC000018066347 567876370 /nfs/dbraw/zinc/87/63/70/567876370.db2.gz LABVODJOASGFMJ-VHEBQXMUSA-N 0 0 295.342 4.310 40 10 CICBRN CN(C)/N=N\c1c(Cl)cc(Cl)cc1Cl ZINC000100257665 567912760 /nfs/dbraw/zinc/91/27/60/567912760.db2.gz MMCIMUJXJHNNAU-SEYXRHQNSA-N 0 0 252.532 4.207 40 10 CICBRN O=[N+]([O-])c1ccc(Cl)c(/N=N\c2ccccn2)c1 ZINC000104117191 567916080 /nfs/dbraw/zinc/91/60/80/567916080.db2.gz VCZROSUCYQOFOF-PFONDFGASA-N 0 0 262.656 4.059 40 10 CICBRN CCN1c2cc(C)c(/C=C\[N+](=O)[O-])cc2[C@@H](C)CC1(C)C ZINC000223583807 567949921 /nfs/dbraw/zinc/94/99/21/567949921.db2.gz SIIJKTRFKPNWEV-WSROAFLRSA-N 0 0 288.391 4.355 40 10 CICBRN COC(=O)c1cc(C)n(-c2ccccc2C(C)C)c1C ZINC000223708906 567950212 /nfs/dbraw/zinc/95/02/12/567950212.db2.gz IJYADTADSWIOBY-UHFFFAOYSA-N 0 0 271.360 4.004 40 10 CICBRN COC(=O)c1cc(C)n(-c2ccc3ccccc3c2)c1C ZINC000223717485 567950460 /nfs/dbraw/zinc/95/04/60/567950460.db2.gz ABZGNPCNJNRUAC-UHFFFAOYSA-N 0 0 279.339 4.034 40 10 CICBRN CCCCc1ccc(CO)n1Cc1ccc(Cl)cc1 ZINC000226027125 567955566 /nfs/dbraw/zinc/95/55/66/567955566.db2.gz ZAYXOGZPDFYNBZ-UHFFFAOYSA-N 0 0 277.795 4.025 40 10 CICBRN CCC1(c2ccc(C)cc2C)C(=O)c2ccccc2C1=O ZINC000408732896 570219263 /nfs/dbraw/zinc/21/92/63/570219263.db2.gz AJNOAWWCQBQVJC-UHFFFAOYSA-N 0 0 278.351 4.030 40 10 CICBRN CCN1c2cc(C)c(/C=C\[N+](=O)[O-])cc2[C@H](C)CC1(C)C ZINC000208324184 570381282 /nfs/dbraw/zinc/38/12/82/570381282.db2.gz SIIJKTRFKPNWEV-MEJMFZKBSA-N 0 0 288.391 4.355 40 10 CICBRN Cc1ccc(-c2ccccc2)n1-c1cc(C)ccc1O ZINC000001598117 169722390 /nfs/dbraw/zinc/72/23/90/169722390.db2.gz SREZMUAYAQNCAQ-UHFFFAOYSA-N 0 0 263.340 4.467 40 10 CICBRN Cc1ccc(/C=C2/C=C(c3cc(C)ccc3C)OC2=O)o1 ZINC000004832536 170026185 /nfs/dbraw/zinc/02/61/85/170026185.db2.gz JAMRQAQBGZGTQK-ZROIWOOFSA-N 0 0 280.323 4.186 40 10 CICBRN Cc1cc(C=O)c(C)n1-c1ccc(N2CCCCCC2)cc1 ZINC000008701901 170347044 /nfs/dbraw/zinc/34/70/44/170347044.db2.gz KAOKFEUPQPAONB-UHFFFAOYSA-N 0 0 296.414 4.287 40 10 CICBRN Nc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000008703689 170347778 /nfs/dbraw/zinc/34/77/78/170347778.db2.gz MNJRIOHXLNKGIL-UHFFFAOYSA-N 0 0 268.143 4.155 40 10 CICBRN O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C=C1Cl ZINC000016400513 170696246 /nfs/dbraw/zinc/69/62/46/170696246.db2.gz DDFKSXUUOVGVRW-CCEZHUSRSA-N 0 0 277.667 4.369 40 10 CICBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000004959393 261063556 /nfs/dbraw/zinc/06/35/56/261063556.db2.gz FBKCRWSTGRHOGI-DAYGRLMNSA-N 0 0 292.338 4.421 40 10 CICBRN Cc1cc(C)cc(NN=C2C=CC(=O)C(C=O)=C2)c1 ZINC000070461637 566866166 /nfs/dbraw/zinc/86/61/66/566866166.db2.gz UPHMAPSMTPZIFU-WUKNDPDISA-N 0 0 254.289 4.237 40 10 CICBRN Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000140213092 567047161 /nfs/dbraw/zinc/04/71/61/567047161.db2.gz JGUMYYOWOVQSTE-UHFFFAOYSA-N 0 0 278.311 4.361 40 10 CICBRN CC(C)COC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC000000036991 567816821 /nfs/dbraw/zinc/81/68/21/567816821.db2.gz GZKOPUIHAWKYEJ-UHFFFAOYSA-N 0 0 298.386 4.064 40 10 CICBRN CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(O)c1 ZINC000001665033 567840455 /nfs/dbraw/zinc/84/04/55/567840455.db2.gz KWYPVFQNTRXTSH-HZPDHXFCSA-N 0 0 286.371 4.491 40 10 CICBRN CC[C@@H](c1ccccc1)[C@@H](CC)c1cc(O)c(O)c(O)c1 ZINC000001670146 567840796 /nfs/dbraw/zinc/84/07/96/567840796.db2.gz ISDIKFNVTHSTFC-GJZGRUSLSA-N 0 0 286.371 4.491 40 10 CICBRN CCCn1cc2c3c1cccc3[C@@H]1C[C@@H](C)C[N@H+](C)[C@@H]1C2 ZINC000013597814 567866581 /nfs/dbraw/zinc/86/65/81/567866581.db2.gz CCERKVUKEIGSPP-RPVQJOFSSA-N 0 0 282.431 4.031 40 10 CICBRN CC1=NN(c2ccccc2)C(=S)C1=CNC1CCCCC1 ZINC000016161044 567872181 /nfs/dbraw/zinc/87/21/81/567872181.db2.gz TWEJQQUSFPJDIH-VBKFSLOCSA-N 0 0 299.443 4.016 40 10 CICBRN Cc1nn(C(=S)S)c(C)c1/N=N/c1ccc(C)cc1 ZINC000017917357 567876145 /nfs/dbraw/zinc/87/61/45/567876145.db2.gz PCIGOHGVRGRSQJ-CCEZHUSRSA-N 0 0 290.417 4.287 40 10 CICBRN CC(=O)Nc1cc(F)c(/N=N/c2ccc(F)cc2)c(F)c1 ZINC000017857779 567876284 /nfs/dbraw/zinc/87/62/84/567876284.db2.gz FVIPXKXZRBJLGN-FMQUCBEESA-N 0 0 293.248 4.478 40 10 CICBRN Cc1ccc(NN=C2C=CC(=O)C=C2)c([N+](=O)[O-])c1 ZINC000018120807 567876323 /nfs/dbraw/zinc/87/63/23/567876323.db2.gz 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257.249 4.024 40 10 CICBRN Cc1ccc2c(Oc3ccc(N)cc3)ccnc2c1C ZINC000064875296 256720757 /nfs/dbraw/zinc/72/07/57/256720757.db2.gz SHPZZAKAUPOMFE-UHFFFAOYSA-N 0 0 264.328 4.226 40 10 CICBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 ZINC000058850946 256796747 /nfs/dbraw/zinc/79/67/47/256796747.db2.gz WARRBTWJRVJWJF-ZRGWGRIASA-N 0 0 290.366 4.111 40 10 CICBRN Fc1cccc2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21 ZINC000004003806 169928918 /nfs/dbraw/zinc/92/89/18/169928918.db2.gz NJSSLNIXNSNTRD-WWGRRREGSA-N 0 0 266.319 4.047 40 10 CICBRN Nc1ccc2c(c1)/C(=C\c1cccnc1)c1ccccc1-2 ZINC000004823765 170023670 /nfs/dbraw/zinc/02/36/70/170023670.db2.gz ZWYUFWNKPCVDMB-ZDLGFXPLSA-N 0 0 270.335 4.233 40 10 CICBRN CN(C)c1ccc(C=Cc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000004824571 170024418 /nfs/dbraw/zinc/02/44/18/170024418.db2.gz UCCPDHNBGYTLGB-YHYXMXQVSA-N 0 0 297.789 4.453 40 10 CICBRN Cc1nn(C(=S)S)c(C)c1/N=N/c1ccc(F)cc1 ZINC000018061156 170741304 /nfs/dbraw/zinc/74/13/04/170741304.db2.gz 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