smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(#Cc1nccc2occc21)Cn1cc[nH+]c1 ZINC000585145387 343880651 /nfs/dbraw/zinc/88/06/51/343880651.db2.gz QIHFVZZMTZYFBA-UHFFFAOYSA-N 1 2 223.235 2.076 2 30 BEEFLO CCc1[nH+]ccn1-c1ccc(N=NC(C)C)nn1 ZINC000027709486 188283144 /nfs/dbraw/zinc/28/31/44/188283144.db2.gz JACDMTQGDOGNFY-UHFFFAOYSA-N 1 2 244.302 2.032 1 30 BEEFLO NC(=[NH+]Nc1cccc(Cl)c1)c1cccnc1 ZINC000006018076 181179805 /nfs/dbraw/zinc/17/98/05/181179805.db2.gz VXDGEEJMQLWOHB-UHFFFAOYSA-N 1 2 246.701 2.467 1 30 BEEFLO C(=NNc1cc[nH+]c2ccccc12)c1ccncc1 ZINC000048307278 166230401 /nfs/dbraw/zinc/23/04/01/166230401.db2.gz XZRAQBGQONHPEP-WQRHYEAKSA-N 1 2 248.289 2.498 1 30 BEEFLO O=C(c1ccccc1O)C1=CCC[N@@H+]2CCC[C@@H]12 ZINC000049088993 188298856 /nfs/dbraw/zinc/29/88/56/188298856.db2.gz HOBPPDCRYVOZBO-ZDUSSCGKSA-N 1 2 243.306 2.369 1 30 BEEFLO O=C(c1ccccc1O)C1=CCC[N@H+]2CCC[C@@H]12 ZINC000049088993 188298858 /nfs/dbraw/zinc/29/88/58/188298858.db2.gz HOBPPDCRYVOZBO-ZDUSSCGKSA-N 1 2 243.306 2.369 1 30 BEEFLO C#CC[NH2+]Cc1coc(-c2ccc(OC)cc2)n1 ZINC000072183666 188307180 /nfs/dbraw/zinc/30/71/80/188307180.db2.gz SUEVNKFZKWYDBH-UHFFFAOYSA-N 1 2 242.278 2.073 1 30 BEEFLO C(=NNc1cc[nH+]c2ccccc12)c1ccncc1 ZINC000045335194 166229966 /nfs/dbraw/zinc/22/99/66/166229966.db2.gz XZRAQBGQONHPEP-WOJGMQOQSA-N 1 2 248.289 2.498 1 30 BEEFLO C(#Cc1ccc2ncccc2c1)Cn1cc[nH+]c1 ZINC000585145368 343880568 /nfs/dbraw/zinc/88/05/68/343880568.db2.gz PIETVKOOAYCVMK-UHFFFAOYSA-N 1 2 233.274 2.483 2 30 BEEFLO N#Cc1cccc(-c2cc(-n3cc[nH+]c3)ncn2)c1 ZINC000004239474 188276891 /nfs/dbraw/zinc/27/68/91/188276891.db2.gz KEKUABVFRALINE-UHFFFAOYSA-N 1 2 247.261 2.201 1 30 BEEFLO CC(=O)c1ccc(C#CCn2cc[nH+]c2)cc1 ZINC000585145376 343880399 /nfs/dbraw/zinc/88/03/99/343880399.db2.gz PTHLROGRRWXUNT-UHFFFAOYSA-N 1 2 224.263 2.137 2 30 BEEFLO C(#Cc1ccc2ccccc2n1)Cn1cc[nH+]c1 ZINC000585145350 343880545 /nfs/dbraw/zinc/88/05/45/343880545.db2.gz OTRURPOTBLZSLZ-UHFFFAOYSA-N 1 2 233.274 2.483 2 30 BEEFLO O=C1Nc2ccccc2C1C=[NH+]C[C@H]1CCCO1 ZINC000102912552 183253257 /nfs/dbraw/zinc/25/32/57/183253257.db2.gz HVUMUHGVTMSUHS-XBDQXEDDSA-N 1 2 244.294 2.471 1 30 BEEFLO CCC[N@@H+]1CCO[C@@H](c2cc(O)cc(C#N)c2)C1 ZINC000028957427 169205010 /nfs/dbraw/zinc/20/50/10/169205010.db2.gz JQYNCOPZIHLBIW-CQSZACIVSA-N 1 2 246.310 2.047 1 30 BEEFLO CCC[N@H+]1CCO[C@@H](c2cc(O)cc(C#N)c2)C1 ZINC000028957427 169205011 /nfs/dbraw/zinc/20/50/11/169205011.db2.gz JQYNCOPZIHLBIW-CQSZACIVSA-N 1 2 246.310 2.047 1 30 BEEFLO CC(=O)c1cccc(C#CCn2cc[nH+]c2)c1 ZINC000585145520 343881190 /nfs/dbraw/zinc/88/11/90/343881190.db2.gz ZINZREDBKKEDKK-UHFFFAOYSA-N 1 2 224.263 2.137 2 30 BEEFLO C=CCCSc1[nH+]cnc2c1cnn2CC#N ZINC000028895015 166293709 /nfs/dbraw/zinc/29/37/09/166293709.db2.gz HHXLOZYANSNFPM-UHFFFAOYSA-N 1 2 245.311 2.018 1 30 BEEFLO N#Cc1c[nH]c(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000026981314 181079597 /nfs/dbraw/zinc/07/95/97/181079597.db2.gz BWINQDZBXFMYCY-UHFFFAOYSA-N 1 2 235.250 2.134 1 30 BEEFLO O=C1Nc2ccccc2C1C=[NH+]C[C@@H]1CCCO1 ZINC000102912550 183252840 /nfs/dbraw/zinc/25/28/40/183252840.db2.gz HVUMUHGVTMSUHS-QNKACBJSSA-N 1 2 244.294 2.471 1 30 BEEFLO CCC[N@@H+]1CCO[C@H](c2ccc(O)c(C#N)c2)C1 ZINC000028957459 169205511 /nfs/dbraw/zinc/20/55/11/169205511.db2.gz ZNLXXODVWATRGR-AWEZNQCLSA-N 1 2 246.310 2.047 1 30 BEEFLO CCC[N@H+]1CCO[C@H](c2ccc(O)c(C#N)c2)C1 ZINC000028957459 169205513 /nfs/dbraw/zinc/20/55/13/169205513.db2.gz ZNLXXODVWATRGR-AWEZNQCLSA-N 1 2 246.310 2.047 1 30 BEEFLO CCC[N@@H+]1CCO[C@H](c2cc(O)cc(C#N)c2)C1 ZINC000028957430 169205122 /nfs/dbraw/zinc/20/51/22/169205122.db2.gz JQYNCOPZIHLBIW-AWEZNQCLSA-N 1 2 246.310 2.047 1 30 BEEFLO CCC[N@H+]1CCO[C@H](c2cc(O)cc(C#N)c2)C1 ZINC000028957430 169205124 /nfs/dbraw/zinc/20/51/24/169205124.db2.gz JQYNCOPZIHLBIW-AWEZNQCLSA-N 1 2 246.310 2.047 1 30 BEEFLO C[C@@H](c1ccccc1)[N@H+](CC#N)[C@@H]1CCC[C@H]1O ZINC000073372347 176020532 /nfs/dbraw/zinc/02/05/32/176020532.db2.gz KJHGQMRPDVTOPD-NWANDNLSSA-N 1 2 244.338 2.487 1 30 BEEFLO C[C@@H](c1ccccc1)[N@@H+](CC#N)[C@@H]1CCC[C@H]1O ZINC000073372347 176020533 /nfs/dbraw/zinc/02/05/33/176020533.db2.gz KJHGQMRPDVTOPD-NWANDNLSSA-N 1 2 244.338 2.487 1 30 BEEFLO Cc1cccc(O)c1C(=O)C1=CC[N@@H+]2CCC[C@@H]12 ZINC000049089354 179160342 /nfs/dbraw/zinc/16/03/42/179160342.db2.gz ASMSNIHFROSTMQ-LBPRGKRZSA-N 1 2 243.306 2.288 1 30 BEEFLO Cc1cccc(O)c1C(=O)C1=CC[N@H+]2CCC[C@@H]12 ZINC000049089354 179160343 /nfs/dbraw/zinc/16/03/43/179160343.db2.gz ASMSNIHFROSTMQ-LBPRGKRZSA-N 1 2 243.306 2.288 1 30 BEEFLO C(#Cc1cncc2ccccc12)Cn1cc[nH+]c1 ZINC000585145409 343881043 /nfs/dbraw/zinc/88/10/43/343881043.db2.gz RWNDZYGQGYPHQZ-UHFFFAOYSA-N 1 2 233.274 2.483 2 30 BEEFLO CC(=O)c1ccccc1C#CCn1cc[nH+]c1 ZINC000585145446 343881250 /nfs/dbraw/zinc/88/12/50/343881250.db2.gz VDHDPFHXVIXAMF-UHFFFAOYSA-N 1 2 224.263 2.137 2 30 BEEFLO N#Cc1ccc2ccn(-c3cccc(N)[nH+]3)c2c1 ZINC000095602825 181133217 /nfs/dbraw/zinc/13/32/17/181133217.db2.gz CSLDJIQXODIGOA-UHFFFAOYSA-N 1 2 234.262 2.479 1 30 BEEFLO N#Cc1cccc(-c2cncnc2-n2cc[nH+]c2)c1 ZINC000004239451 181133811 /nfs/dbraw/zinc/13/38/11/181133811.db2.gz XBXFKBLIMFZPAN-UHFFFAOYSA-N 1 2 247.261 2.201 1 30 BEEFLO COc1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000169323650 175052766 /nfs/dbraw/zinc/05/27/66/175052766.db2.gz VUABSULIBQWCMT-VMPITWQZSA-N 1 2 242.278 2.325 1 30 BEEFLO C#CC[NH2+]Cc1coc(-c2ccccc2C)n1 ZINC000072183601 188221227 /nfs/dbraw/zinc/22/12/27/188221227.db2.gz JNIJZSUMBBYLTJ-UHFFFAOYSA-N 1 2 226.279 2.373 1 30 BEEFLO Oc1ccc2[nH]cc(C=NNc3[nH]cc[nH+]3)c2c1 ZINC000013741849 183278260 /nfs/dbraw/zinc/27/82/60/183278260.db2.gz JQSXLHFJQDVRNF-FRKPEAEDSA-N 1 2 241.254 2.043 1 30 BEEFLO C=C(CN[NH2+]C(C)C)c1ccc(F)cc1 ZINC000019172474 188059072 /nfs/dbraw/zinc/05/90/72/188059072.db2.gz ZJDCLXVLAISLQT-UHFFFAOYSA-N 1 2 208.280 2.342 1 30 BEEFLO C(#Cc1cccc2ncccc12)Cn1cc[nH+]c1 ZINC000585145143 344179961 /nfs/dbraw/zinc/17/99/61/344179961.db2.gz DXPSNUPNSSQFBI-UHFFFAOYSA-N 1 2 233.274 2.483 2 30 BEEFLO CC(C)(C)c1ccc(C#CCn2cc[nH+]c2)nn1 ZINC000585145324 344180456 /nfs/dbraw/zinc/18/04/56/344180456.db2.gz NFSKQLJTBBZHMM-UHFFFAOYSA-N 1 2 240.310 2.022 2 30 BEEFLO O/N=C/c1cccc[n+]1CCc1ccccc1 ZINC000040980840 181826801 /nfs/dbraw/zinc/82/68/01/181826801.db2.gz BJFDKASOIXIWDM-UHFFFAOYSA-O 1 2 227.287 2.025 1 30 BEEFLO N#Cc1cccc(OCCCc2c[nH]c[nH+]2)c1 ZINC000013580341 181142757 /nfs/dbraw/zinc/14/27/57/181142757.db2.gz VHTRCEDLWZJNFZ-UHFFFAOYSA-N 1 2 227.267 2.293 1 30 BEEFLO N#Cc1cccc(OCCCc2c[nH+]c[nH]2)c1 ZINC000013580341 181142758 /nfs/dbraw/zinc/14/27/58/181142758.db2.gz VHTRCEDLWZJNFZ-UHFFFAOYSA-N 1 2 227.267 2.293 1 30 BEEFLO CCC[N@@H+]1CCO[C@@H](c2ccc(O)c(C#N)c2)C1 ZINC000028957458 169204333 /nfs/dbraw/zinc/20/43/33/169204333.db2.gz ZNLXXODVWATRGR-CQSZACIVSA-N 1 2 246.310 2.047 1 30 BEEFLO CCC[N@H+]1CCO[C@@H](c2ccc(O)c(C#N)c2)C1 ZINC000028957458 169204334 /nfs/dbraw/zinc/20/43/34/169204334.db2.gz ZNLXXODVWATRGR-CQSZACIVSA-N 1 2 246.310 2.047 1 30 BEEFLO