smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(CNCc2nc3ccccc3s2)cc1Br ZINC000058402308 214574956 /nfs/dbraw/zinc/57/49/56/214574956.db2.gz QOWMXRGBBXMODF-UHFFFAOYSA-N -1 3 349.253 4.054 10 0 EIAEHM Cc1ccc(-c2cc(=O)[n-]c(Nc3cccc(Cl)c3F)n2)cc1 ZINC000057342111 201138407 /nfs/dbraw/zinc/13/84/07/201138407.db2.gz BFYJKQKXWRUFDP-UHFFFAOYSA-N -1 3 329.762 4.281 10 0 EIAEHM Cc1ccc(-c2cc(=O)[n-]c(NCc3ccc(F)c(Cl)c3)n2)cc1 ZINC000057342132 201139534 /nfs/dbraw/zinc/13/95/34/201139534.db2.gz VWNGMFGNEWUGNM-UHFFFAOYSA-N -1 3 343.789 4.150 10 0 EIAEHM Cc1ccc(-n2nc(-c3ccc(O)cc3[O-])c3ccc(O)cc32)cc1 ZINC000013586328 201365996 /nfs/dbraw/zinc/36/59/96/201365996.db2.gz FNMXQCQMYOCDSW-UHFFFAOYSA-N -1 3 332.359 4.118 10 0 EIAEHM Cc1cc(NC(=O)c2ccc(Cl)cc2)cc(Br)c1[O-] ZINC000226242876 205121583 /nfs/dbraw/zinc/12/15/83/205121583.db2.gz PTRVXGIXHWNBQK-UHFFFAOYSA-N -1 3 340.604 4.369 10 0 EIAEHM CCC[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2)c([O-])c1 ZINC000021145215 202062556 /nfs/dbraw/zinc/06/25/56/202062556.db2.gz GVHZBOZWYOAUGC-CYBMUJFWSA-N -1 3 326.396 4.019 10 0 EIAEHM Cc1ccc(-c2cc(=O)[n-]c(Nc3ccc(Cl)c(F)c3)n2)cc1 ZINC000057342129 201139205 /nfs/dbraw/zinc/13/92/05/201139205.db2.gz FMYVEEVWRJQFDW-UHFFFAOYSA-N -1 3 329.762 4.281 10 0 EIAEHM Cc1cccc(-c2cc(=O)[n-]c(Nc3ccc(Cl)c(F)c3)n2)c1 ZINC000057342006 201139434 /nfs/dbraw/zinc/13/94/34/201139434.db2.gz XPGXNUQFRZSOEH-UHFFFAOYSA-N -1 3 329.762 4.281 10 0 EIAEHM Cc1cccc(C(=O)Nc2c(C)cc(Br)cc2C)c1[O-] ZINC000020045909 212097680 /nfs/dbraw/zinc/09/76/80/212097680.db2.gz GEQVJNBYMNROPO-UHFFFAOYSA-N -1 3 334.213 4.332 10 0 EIAEHM CCC1(C)CCN(Cc2cc(C(=O)[O-])ccc2Br)CC1 ZINC000675072764 564112765 /nfs/dbraw/zinc/11/27/65/564112765.db2.gz HIIIZXAIQBRKCZ-UHFFFAOYSA-N -1 3 340.261 4.159 10 0 EIAEHM COC(=O)c1cc(-c2ccccc2[O-])nc2onc(-c3ccccc3)c21 ZINC000036617358 202327546 /nfs/dbraw/zinc/32/75/46/202327546.db2.gz OOGHFGDLFTUYAW-UHFFFAOYSA-N -1 3 346.342 4.049 10 0 EIAEHM [O-]c1c(Br)cc(Cc2cccc3ccccc32)cc1CO ZINC000040542257 201088873 /nfs/dbraw/zinc/08/88/73/201088873.db2.gz RWLHZXRMIJHHMO-UHFFFAOYSA-N -1 3 343.220 4.391 10 0 EIAEHM O=c1cc(-c2ccccc2)nc(Nc2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000057342176 201139366 /nfs/dbraw/zinc/13/93/66/201139366.db2.gz FOEOPOBDISXOSA-UHFFFAOYSA-N -1 3 347.296 4.079 10 0 EIAEHM Cc1cc(NC(=O)/C=C/c2ccccc2)cc(Br)c1[O-] ZINC000226243389 205121170 /nfs/dbraw/zinc/12/11/70/205121170.db2.gz ODUXAYJMYVEXAM-BQYQJAHWSA-N -1 3 332.197 4.115 10 0 EIAEHM [O-]c1ccccc1-c1nc(/C=C/c2ccccn2)nn1-c1ccccc1 ZINC000005274342 564002261 /nfs/dbraw/zinc/00/22/61/564002261.db2.gz ICESDRMLWABBSX-BUHFOSPRSA-N -1 3 340.386 4.205 10 0 EIAEHM O=c1cc(-c2ccccc2)nc(Nc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000041598834 201093970 /nfs/dbraw/zinc/09/39/70/201093970.db2.gz QYFORTKICYYSRX-UHFFFAOYSA-N -1 3 331.297 4.199 10 0 EIAEHM Cc1ccc(-c2cc(=O)[n-]c(Nc3cc(F)ccc3Cl)n2)cc1 ZINC000057342113 201139156 /nfs/dbraw/zinc/13/91/56/201139156.db2.gz VNILQIWJNLJULH-UHFFFAOYSA-N -1 3 329.762 4.281 10 0 EIAEHM [O-]c1ccc(CNCc2cccc(Cl)c2)cc1Br ZINC000057901581 202732073 /nfs/dbraw/zinc/73/20/73/202732073.db2.gz GTKXQAUKLLQJMT-UHFFFAOYSA-N -1 3 326.621 4.098 10 0 EIAEHM CC1(C)C=Cc2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc23)O1 ZINC000013436958 564111712 /nfs/dbraw/zinc/11/17/12/564111712.db2.gz ZSYPWSSGRVZENH-UHFFFAOYSA-N -1 3 336.343 4.055 10 0 biogenic,in-vitro EIAEHM O=C([O-])[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1C(F)(F)F ZINC000301055217 201059612 /nfs/dbraw/zinc/05/96/12/201059612.db2.gz ZDPZJDZVNAEGBB-HOTGVXAUSA-N -1 3 349.352 4.006 10 0 EIAEHM O=c1cc(-c2ccccc2)nc(NCc2ccccc2C(F)(F)F)[n-]1 ZINC000057341571 201139096 /nfs/dbraw/zinc/13/90/96/201139096.db2.gz PSRRQIRPACQSPT-UHFFFAOYSA-N -1 3 345.324 4.068 10 0 EIAEHM O=c1cc(-c2ccccc2)nc(NCc2cccc(C(F)(F)F)c2)[n-]1 ZINC000057341584 258003769 /nfs/dbraw/zinc/00/37/69/258003769.db2.gz MXHAHTCRZNQEHJ-UHFFFAOYSA-N -1 3 345.324 4.068 10 0 EIAEHM O=C(/C=C\c1cccc2ccccc12)NC(=S)Nc1ccccc1[O-] ZINC000034941649 202282545 /nfs/dbraw/zinc/28/25/45/202282545.db2.gz JEUZTUAJWYRKQF-SEYXRHQNSA-N -1 3 348.427 4.072 10 0 EIAEHM O=C1Nc2cc(C(F)(F)F)ccc2[C@@H]1c1cc(Cl)ccc1[O-] ZINC000101770543 219163730 /nfs/dbraw/zinc/16/37/30/219163730.db2.gz GEYOEKOXFSCBMN-CYBMUJFWSA-N -1 3 327.689 4.148 10 0 EIAEHM Cc1cc(Oc2ncnc([N-]c3nccs3)c2N)ccc1Cl ZINC000040780918 213385833 /nfs/dbraw/zinc/38/58/33/213385833.db2.gz GPPGFUTYOGJWLJ-UHFFFAOYSA-N -1 3 333.804 4.013 10 0 EIAEHM Cc1cc(-c2ccco2)cc(C)c1C=Cc1cncc(-c2nnn[n-]2)c1 ZINC000040753264 213381768 /nfs/dbraw/zinc/38/17/68/213381768.db2.gz XFBUODNVNPFENG-AATRIKPKSA-N -1 3 343.390 4.309 10 0 EIAEHM Cc1cc(-c2ccco2)cc(C)c1C=Cc1cncc(-c2nn[n-]n2)c1 ZINC000040753264 213381771 /nfs/dbraw/zinc/38/17/71/213381771.db2.gz XFBUODNVNPFENG-AATRIKPKSA-N -1 3 343.390 4.309 10 0 EIAEHM Cc1ccc(NC(=O)c2cnc3c(cccc3C(F)(F)F)c2[O-])cc1 ZINC000040176971 213279991 /nfs/dbraw/zinc/27/99/91/213279991.db2.gz GBPQPSCKSFHZTE-UHFFFAOYSA-N -1 3 346.308 4.108 10 0 EIAEHM Cc1ccccc1NC(=O)c1cnc2c(cccc2C(F)(F)F)c1[O-] ZINC000040176987 213279998 /nfs/dbraw/zinc/27/99/98/213279998.db2.gz VWMSKZCTQOKRBP-UHFFFAOYSA-N -1 3 346.308 4.108 10 0 EIAEHM COc1cc(/C=C\c2cc3occc3c([O-])c2)cc(OC)c1OC ZINC000038356147 213207149 /nfs/dbraw/zinc/20/71/49/213207149.db2.gz CKGOZQOFJSRSSW-PLNGDYQASA-N -1 3 326.348 4.335 10 0 EIAEHM Cc1cccc(-c2cc(=O)[n-]c(NCc3ccc(F)cc3Cl)n2)c1 ZINC000057342030 524106575 /nfs/dbraw/zinc/10/65/75/524106575.db2.gz LVJBDKMXVBMIKT-UHFFFAOYSA-N -1 3 343.789 4.150 10 0 EIAEHM Nc1c([N-]c2nccs2)ncnc1Nc1cccc2ccccc21 ZINC000040758865 213383509 /nfs/dbraw/zinc/38/35/09/213383509.db2.gz SUWRFVAMDRGPCD-UHFFFAOYSA-N -1 3 334.408 4.156 10 0 EIAEHM [O-]c1ccc(F)cc1-c1cc(NCc2ccccn2)nc2[nH]ccc21 ZINC000072409618 216201213 /nfs/dbraw/zinc/20/12/13/216201213.db2.gz SCATWCIBPQLYLX-UHFFFAOYSA-N -1 3 334.354 4.082 10 0 EIAEHM CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cc(Cl)ccc3[O-])c2C1 ZINC000000426606 563998558 /nfs/dbraw/zinc/99/85/58/563998558.db2.gz OLSKRICGLCKXCN-JTQLQIEISA-N -1 3 348.830 4.437 10 0 EIAEHM Cc1c(Cl)ccc2c(=O)c(C(=O)Nc3cccc(Cl)c3)c[n-]c12 ZINC000040359363 213293495 /nfs/dbraw/zinc/29/34/95/213293495.db2.gz WHFVWCVSJIEQDF-UHFFFAOYSA-N -1 3 347.201 4.396 10 0 EIAEHM Cc1cccc(NC(=O)c2cnc3c(cccc3C(F)(F)F)c2[O-])c1 ZINC000040176995 213279949 /nfs/dbraw/zinc/27/99/49/213279949.db2.gz HJCQTEZKCOPCFT-UHFFFAOYSA-N -1 3 346.308 4.108 10 0 EIAEHM [O-]C(=Cc1nc2ccccc2o1)c1cc(F)ccc1Br ZINC000034940254 213002486 /nfs/dbraw/zinc/00/24/86/213002486.db2.gz WXJWSEQPEYKWIL-UHFFFAOYSA-N -1 3 334.144 4.155 10 0 EIAEHM FC(F)(F)c1cc(-c2cccc(Br)c2)nc(=S)[n-]1 ZINC000217026601 241233524 /nfs/dbraw/zinc/23/35/24/241233524.db2.gz ZBZWSOYOTQPGIF-UHFFFAOYSA-N -1 3 335.148 4.214 10 0 EIAEHM CN(C)c1ccc(Nc2c3c(nc4ccc(C(=O)[O-])cc42)CCC3)cc1 ZINC000019794276 212069001 /nfs/dbraw/zinc/06/90/01/212069001.db2.gz LRRJKEBDVYWVGK-UHFFFAOYSA-N -1 3 347.418 4.231 10 0 EIAEHM COC(=O)c1nc(Cl)c2cc(Oc3ccccc3)ccc2c1[O-] ZINC000149190011 563962355 /nfs/dbraw/zinc/96/23/55/563962355.db2.gz UMMWEAOVAUETLR-UHFFFAOYSA-N -1 3 329.739 4.173 10 0 EIAEHM CN1CCc2cc(Cl)c([O-])cc2[C@H](c2cccc3ccoc32)C1 ZINC000006523795 560206116 /nfs/dbraw/zinc/20/61/16/560206116.db2.gz RUSANBIFMAXXSJ-INIZCTEOSA-N -1 3 327.811 4.412 10 0 in-vitro EIAEHM Cc1cc(Oc2ncnc([N-]c3nccs3)c2N)cc(C)c1Cl ZINC000040780916 213386101 /nfs/dbraw/zinc/38/61/01/213386101.db2.gz SFQQLTIMVWZZOO-UHFFFAOYSA-N -1 3 347.831 4.321 10 0 EIAEHM Cc1cc([N-]c2ncnc(Oc3cccc4ccccc43)c2N)no1 ZINC000040680782 213368621 /nfs/dbraw/zinc/36/86/21/213368621.db2.gz ZHHWJQFJCCJPDW-UHFFFAOYSA-N -1 3 333.351 4.044 10 0 EIAEHM Cc1cc(NC(=O)c2ccccc2Cl)cc(Br)c1[O-] ZINC000226242822 242090687 /nfs/dbraw/zinc/09/06/87/242090687.db2.gz BCFCOIWHNCHOOA-UHFFFAOYSA-N -1 3 340.604 4.369 10 0 EIAEHM Brc1cc(C23CC4CC(CC(C4)C2)C3)cc2n[n-]nc21 ZINC000226305348 242096379 /nfs/dbraw/zinc/09/63/79/242096379.db2.gz NPQGLOJXBLHBIH-UHFFFAOYSA-N -1 3 332.245 4.188 10 0 EIAEHM Cc1c(Cl)cccc1NC(=O)c1[n-]nc2c1COc1ccccc1-2 ZINC000009728762 211121599 /nfs/dbraw/zinc/12/15/99/211121599.db2.gz ADFATMPPUZNMJI-UHFFFAOYSA-N -1 3 339.782 4.183 10 0 EIAEHM Cc1c(Cl)cccc1NC(=O)c1n[n-]c2c1COc1ccccc1-2 ZINC000009728762 211121600 /nfs/dbraw/zinc/12/16/00/211121600.db2.gz ADFATMPPUZNMJI-UHFFFAOYSA-N -1 3 339.782 4.183 10 0 EIAEHM Cc1ccc([O-])c(C(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000037389453 213143641 /nfs/dbraw/zinc/14/36/41/213143641.db2.gz LFZSYMJHAAVBDB-UHFFFAOYSA-N -1 3 340.604 4.369 10 0 EIAEHM [O-]C(=Cc1nc2ccccc2o1)c1ccc(Br)cc1F ZINC000034940213 213001845 /nfs/dbraw/zinc/00/18/45/213001845.db2.gz JUEBLSLTCDIYJF-UHFFFAOYSA-N -1 3 334.144 4.155 10 0 EIAEHM [O-]c1ccccc1C1=N[C@H](c2ccc(F)cc2)N[C@@H](c2cccnc2)C1 ZINC000021365593 212223525 /nfs/dbraw/zinc/22/35/25/212223525.db2.gz VAMQWRKAMNDGGA-WIYYLYMNSA-N -1 3 347.393 4.149 10 0 EIAEHM O=[S@](Cc1ncc(-c2ccccc2Cl)o1)c1ccc([O-])cc1 ZINC000080140587 1046456305 /nfs/dbraw/zinc/45/63/05/1046456305.db2.gz AQYIHBSITFPNCY-QFIPXVFZSA-N -1 3 333.796 4.008 10 0 EIAEHM CC(C)(C)c1cc(=S)n(Cc2cccc(Br)c2)[n-]1 ZINC000104015565 219339306 /nfs/dbraw/zinc/33/93/06/219339306.db2.gz MJWHXLVLEOJDGV-UHFFFAOYSA-N -1 3 325.275 4.280 10 0 EIAEHM Nc1c([N-]c2nccs2)ncnc1Oc1cccc2ccccc21 ZINC000040683202 213367666 /nfs/dbraw/zinc/36/76/66/213367666.db2.gz DDVDNPQIAKLBDJ-UHFFFAOYSA-N -1 3 335.392 4.204 10 0 EIAEHM Cc1cc(NC(=O)c2cccc(Cl)c2)cc(Br)c1[O-] ZINC000226242859 242091070 /nfs/dbraw/zinc/09/10/70/242091070.db2.gz CRFQMXLUWPPSHG-UHFFFAOYSA-N -1 3 340.604 4.369 10 0 EIAEHM CCC[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2)c([O-])c1 ZINC000021145217 212211579 /nfs/dbraw/zinc/21/15/79/212211579.db2.gz GVHZBOZWYOAUGC-ZDUSSCGKSA-N -1 3 326.396 4.019 10 0 EIAEHM CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cc(Cl)ccc3[O-])c2C1 ZINC000000426607 563998564 /nfs/dbraw/zinc/99/85/64/563998564.db2.gz OLSKRICGLCKXCN-SNVBAGLBSA-N -1 3 348.830 4.437 10 0 EIAEHM Cc1cc(C)cc(NC(=O)c2c[n-]c3c(C)c(Cl)ccc3c2=O)c1 ZINC000040359367 213293397 /nfs/dbraw/zinc/29/33/97/213293397.db2.gz MDAIZOAUYKHVMY-UHFFFAOYSA-N -1 3 340.810 4.359 10 0 EIAEHM COC(=O)c1cc2[n-]c(-c3cccs3)cc(C(F)(F)F)c-2n1 ZINC000037593729 213159814 /nfs/dbraw/zinc/15/98/14/213159814.db2.gz IWTXHXMBYDTTMW-UHFFFAOYSA-N -1 3 326.299 4.097 10 0 EIAEHM COC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)c2[n-]1 ZINC000037593729 213159820 /nfs/dbraw/zinc/15/98/20/213159820.db2.gz IWTXHXMBYDTTMW-UHFFFAOYSA-N -1 3 326.299 4.097 10 0 EIAEHM CCc1ccc(C(=O)Nc2cc(C)c([O-])c(Br)c2)cc1 ZINC000226242588 242090875 /nfs/dbraw/zinc/09/08/75/242090875.db2.gz QBGBQUKAGOUIKU-UHFFFAOYSA-N -1 3 334.213 4.278 10 0 EIAEHM COc1ccc2ncc(C(=O)[O-])c(NCc3ccc(Cl)cc3)c2c1 ZINC000004226227 210147223 /nfs/dbraw/zinc/14/72/23/210147223.db2.gz BJELMQZTIRNABX-UHFFFAOYSA-N -1 3 342.782 4.207 10 0 EIAEHM Nc1c([N-]c2nccs2)ncnc1Sc1ccc(Cl)cc1 ZINC000040723028 213375968 /nfs/dbraw/zinc/37/59/68/213375968.db2.gz AWMMJPFTBLYVJA-UHFFFAOYSA-N -1 3 335.845 4.064 10 0 EIAEHM [O-]C(=Cc1nc2ccccc2o1)c1cc(Br)ccc1F ZINC000034940214 213002728 /nfs/dbraw/zinc/00/27/28/213002728.db2.gz QCHMVRXGEQEIDU-UHFFFAOYSA-N -1 3 334.144 4.155 10 0 EIAEHM Cc1ccc(-c2cncc3sc(-c4nnn[n-]4)cc32)cc1Cl ZINC000211866624 241085417 /nfs/dbraw/zinc/08/54/17/241085417.db2.gz VCUUUVWVBNHYNR-UHFFFAOYSA-N -1 3 327.800 4.105 10 0 EIAEHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[O-] ZINC000021866411 212257581 /nfs/dbraw/zinc/25/75/81/212257581.db2.gz XOWIOLRGHMHSGF-SECBINFHSA-N -1 3 326.179 4.105 10 0 EIAEHM Nc1cc([O-])c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000034574338 563919385 /nfs/dbraw/zinc/91/93/85/563919385.db2.gz YEMGDMMNWKZAAS-UHFFFAOYSA-N -1 3 331.586 4.187 10 0 EIAEHM COc1ccc(Nc2[n-]c(=S)nc3cc(OC)c(OC)cc32)cc1 ZINC000000429306 563999165 /nfs/dbraw/zinc/99/91/65/563999165.db2.gz UZNZJIIALUNIOR-UHFFFAOYSA-N -1 3 343.408 4.062 10 0 EIAEHM O=C([O-])[C@@H](c1ccccc1)[C@H](NCc1ccccc1)c1ccccc1 ZINC000053995093 214210154 /nfs/dbraw/zinc/21/01/54/214210154.db2.gz YJLVZOJFKPDFMJ-LEWJYISDSA-N -1 3 331.415 4.386 10 0 EIAEHM CC(C)=CCc1c2c(c([O-])c3c(=O)cc(C)oc13)C=CC(C)(C)O2 ZINC000000897919 560179120 /nfs/dbraw/zinc/17/91/20/560179120.db2.gz NVMMHCGADVNCFH-UHFFFAOYSA-N -1 3 326.392 4.500 10 0 in-vitro EIAEHM CC(C)=CCc1c2c(c(=O)c3c([O-])cc(C)oc1-3)C=CC(C)(C)O2 ZINC000000897919 560179122 /nfs/dbraw/zinc/17/91/22/560179122.db2.gz NVMMHCGADVNCFH-UHFFFAOYSA-N -1 3 326.392 4.500 10 0 in-vitro EIAEHM Nc1c([N-]c2nccs2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687814 213369808 /nfs/dbraw/zinc/36/98/08/213369808.db2.gz UXONHJYYBKHRPM-UHFFFAOYSA-N -1 3 335.392 4.204 10 0 EIAEHM Cc1ccc(NC(=O)CCn2c3ccccc3oc2=S)c([O-])c1 ZINC000000223772 563829802 /nfs/dbraw/zinc/82/98/02/563829802.db2.gz XNLALHWQJHSMNY-UHFFFAOYSA-N -1 3 328.393 4.007 10 0 EIAEHM CCc1ccccc1NC(=O)c1c[n-]c2c(C)c(Cl)ccc2c1=O ZINC000040359383 213293234 /nfs/dbraw/zinc/29/32/34/213293234.db2.gz UQLOZUCIJUVQAL-UHFFFAOYSA-N -1 3 340.810 4.305 10 0 EIAEHM CCCSc1nnc(-c2ccccc2[O-])n1-c1ccccc1C ZINC000038174743 213205253 /nfs/dbraw/zinc/20/52/53/213205253.db2.gz JEDRHTBAXYGKCY-UHFFFAOYSA-N -1 3 325.437 4.450 10 0 EIAEHM O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1[O-])c1ccccc1 ZINC000021145450 212211586 /nfs/dbraw/zinc/21/15/86/212211586.db2.gz LYFYZNBGZMIURI-UHFFFAOYSA-N -1 3 338.407 4.163 10 0 EIAEHM O=C([O-])[C@@H](c1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000053995092 214209735 /nfs/dbraw/zinc/20/97/35/214209735.db2.gz YJLVZOJFKPDFMJ-SFTDATJTSA-N -1 3 331.415 4.386 10 0 EIAEHM Cc1ccccc1NC(=O)c1c[n-]c2c(C)c(Cl)ccc2c1=O ZINC000040359345 213293524 /nfs/dbraw/zinc/29/35/24/213293524.db2.gz XSTVHCDZBWLWLB-UHFFFAOYSA-N -1 3 326.783 4.051 10 0 EIAEHM O=C(CSc1ccc2ccccc2n1)Nc1cc(Cl)ccc1[O-] ZINC000040165978 213278618 /nfs/dbraw/zinc/27/86/18/213278618.db2.gz HNIYVBXBDKAAQH-UHFFFAOYSA-N -1 3 344.823 4.325 10 0 EIAEHM Cc1ccc([O-])c(C(=O)Nc2c(C)cc(Br)cc2C)c1 ZINC000020045888 212097628 /nfs/dbraw/zinc/09/76/28/212097628.db2.gz GOPGJEOSBYDDEH-UHFFFAOYSA-N -1 3 334.213 4.332 10 0 EIAEHM CC(C)(C)OC(=O)N1CC=C(c2c3ccccc3oc2C(=O)[O-])CC1 ZINC000584880497 563879084 /nfs/dbraw/zinc/87/90/84/563879084.db2.gz DWPSYNXENGZOMZ-UHFFFAOYSA-N 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