smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1c[nH]c2ccccc12)c1ccccc1NCc1ccncc1 ZINC000040401808 202616965 /nfs/dbraw/zinc/61/69/65/202616965.db2.gz KVPGEPFIZBIQJW-UHFFFAOYSA-N 0 0 327.387 4.406 1 10 EICFRN Cc1csc(C2=NN[C@@H](c3ccc(N4CCCCC4)cc3)C2)c1 ZINC000103223387 204067736 /nfs/dbraw/zinc/06/77/36/204067736.db2.gz IPFFPHVGPXJGIS-QGZVFWFLSA-N 0 0 325.481 4.486 1 10 EICFRN CC(C)c1c(O)c(O)c2c(c1C=O)[C@H](O)[C@H]1[C@]2(C)CCCC1(C)C ZINC000014966693 291005836 /nfs/dbraw/zinc/00/58/36/291005836.db2.gz IIYLPCIYUBWRSS-ILZDJORESA-N 0 0 332.440 4.165 1 10 biogenic,in-vitro EICFRN Cc1ccn2c(c1)nc(-c1ccccn1)c2Nc1ccc2c(c1)OCO2 ZINC000003909853 201584965 /nfs/dbraw/zinc/58/49/65/201584965.db2.gz JWDJPGYVOIXMPL-UHFFFAOYSA-N 0 0 344.374 4.177 3 10 EICFRN COc1ccc(C2=NC(=O)/C(=C/c3cc4ccccc4[nH]3)S2)cc1 ZINC000084757140 203538853 /nfs/dbraw/zinc/53/88/53/203538853.db2.gz HRIYEJMIVKQRHZ-BOPFTXTBSA-N 0 0 334.400 4.238 1 10 EICFRN O=C(N=NC1C(=O)Nc2ccc(Br)cc21)c1ccco1 ZINC000103052688 204060157 /nfs/dbraw/zinc/06/01/57/204060157.db2.gz YTFCZGSXKMFRFK-MSUUIHNZSA-N 0 0 334.129 4.153 1 10 EICFRN O=C1c2ccccc2-c2nnc(-c3ccccc3C(F)(F)F)cc21 ZINC000027216501 202152649 /nfs/dbraw/zinc/15/26/49/202152649.db2.gz VXJLVIAZPBJLGP-UHFFFAOYSA-N 0 0 326.277 4.374 1 10 EICFRN O=C1Cc2c3ccccc3n(-c3ccccc3)c2-c2ncccc2N1 ZINC000029053525 202180009 /nfs/dbraw/zinc/18/00/09/202180009.db2.gz XULOFXLOWMKSLI-UHFFFAOYSA-N 0 0 325.371 4.187 1 10 EICFRN CC(=O)N[C@H](c1cccs1)c1cc(Cl)c2ccccc2c1O ZINC000036380895 202324198 /nfs/dbraw/zinc/32/41/98/202324198.db2.gz GLWRKEARHQYZAI-INIZCTEOSA-N 0 0 331.824 4.486 3 10 EICFRN COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2N=NC(N)=S ZINC000101714604 204020132 /nfs/dbraw/zinc/02/01/32/204020132.db2.gz NMPRKKRYIYTRDX-VHEBQXMUSA-N 0 0 330.413 4.456 1 10 EICFRN O=C1c2ccccc2-c2c1c1c(n2CCc2ccccc2)CCCC1=O ZINC000073295534 203262471 /nfs/dbraw/zinc/26/24/71/203262471.db2.gz SOUZORJPTHGIJA-UHFFFAOYSA-N 0 0 341.410 4.461 1 10 EICFRN Cc1ccsc1C1=NN[C@@H](c2ccc(N3CCCCC3)cc2)C1 ZINC000103223382 204067224 /nfs/dbraw/zinc/06/72/24/204067224.db2.gz XORUIRGLYIGKKD-QGZVFWFLSA-N 0 0 325.481 4.486 1 10 EICFRN CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O ZINC000014774386 291005842 /nfs/dbraw/zinc/00/58/42/291005842.db2.gz WDKBIUNFLNEEEH-XOBRGWDASA-N 0 0 330.424 4.071 1 10 biogenic,in-vitro EICFRN Nc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2CCCCCCC(=O)[O-])cc1 ZINC000028003434 202164824 /nfs/dbraw/zinc/16/48/24/202164824.db2.gz BQFDXUXOJXXNFM-AZUAARDMSA-N 0 0 346.515 4.385 1 10 EICFRN O=C1N=C(Nc2ccccc2)SC1=Cc1ccc2ncccc2c1 ZINC000028821255 202177492 /nfs/dbraw/zinc/17/74/92/202177492.db2.gz QNGJYVOEOMSOMB-ATVHPVEESA-N 0 0 331.400 4.317 1 10 EICFRN O=[N+]([O-])c1cnc(Sc2nc3cc(Cl)c(Cl)cc3[nH]2)s1 ZINC000040379277 202437095 /nfs/dbraw/zinc/43/70/95/202437095.db2.gz NIMBNTDNGRKRFM-UHFFFAOYSA-N 0 0 347.208 4.386 1 10 EICFRN COc1cc(O)c2c(c1C)C(=O)N1c3ccc(Cl)cc3CC[C@H]21 ZINC000028951010 202179471 /nfs/dbraw/zinc/17/94/71/202179471.db2.gz KJBQUAUKONJUOX-CYBMUJFWSA-N 0 0 329.783 4.010 1 10 EICFRN O=C1c2ccccc2C(=O)c2c3nc(-c4cccc(F)c4)[nH]c3ccc21 ZINC000066074251 215006413 /nfs/dbraw/zinc/00/64/13/215006413.db2.gz PKEVBAAYDGBCRS-UHFFFAOYSA-N 0 0 342.329 4.144 1 10 EICFRN Cc1cccn2c1nc(-c1ccccn1)c2Nc1ccc2c(c1)OCO2 ZINC000004597429 210229523 /nfs/dbraw/zinc/22/95/23/210229523.db2.gz MOQBNOAJUFVHLE-UHFFFAOYSA-N 0 0 344.374 4.177 1 10 EICFRN Oc1ccc(/C=C/c2ccc(O)c(O)c2CCc2ccccc2)cc1O ZINC000085569245 291009543 /nfs/dbraw/zinc/00/95/43/291009543.db2.gz MONXTWUQSVSPBY-RMKNXTFCSA-N 0 0 348.398 4.465 1 10 biogenic,in-vitro EICFRN COc1ccc(/C=C2\SC(c3cccc(Cl)c3)=NC2=O)cc1 ZINC000084651920 217625962 /nfs/dbraw/zinc/62/59/62/217625962.db2.gz PBKUWOLTZWHWGA-DHDCSXOGSA-N 0 0 329.808 4.410 1 10 EICFRN O=C1c2ccccc2C(=O)c2c(O)cc(-c3ccc(Cl)cc3)cc21 ZINC000096934746 218902187 /nfs/dbraw/zinc/90/21/87/218902187.db2.gz UKAMCOBCIOYFLS-UHFFFAOYSA-N 0 0 334.758 4.488 1 10 EICFRN COC1=CC(=NNc2ccc(Br)cc2)C=C(C=O)C1=O ZINC000003899438 210088044 /nfs/dbraw/zinc/08/80/44/210088044.db2.gz RLOPGVGJLPHKFW-MSUUIHNZSA-N 0 0 335.157 4.391 1 10 EICFRN Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1 ZINC000003814553 210076477 /nfs/dbraw/zinc/07/64/77/210076477.db2.gz DUEHBNYPDIDYLL-UHFFFAOYSA-N 0 0 347.386 4.134 1 10 EICFRN COc1ccc(O)c(O)c1C1c2ccccc2CCc2ccccc21 ZINC000029571163 212673181 /nfs/dbraw/zinc/67/31/81/212673181.db2.gz XWXPYTYUGSDJJU-UHFFFAOYSA-N 0 0 332.399 4.385 1 10 EICFRN Nc1nn(-c2ccc(Cl)cc2)c(N)c1/N=N/c1ccc(F)cc1 ZINC000098081982 219080554 /nfs/dbraw/zinc/08/05/54/219080554.db2.gz IYSVGQYUWQIVNQ-QZQOTICOSA-N 0 0 330.754 4.245 1 10 EICFRN Cc1csc(C2=NN[C@H](c3ccc(N4CCCCC4)cc3)C2)c1 ZINC000103223385 219271867 /nfs/dbraw/zinc/27/18/67/219271867.db2.gz IPFFPHVGPXJGIS-KRWDZBQOSA-N 0 0 325.481 4.486 1 10 EICFRN Cc1cc2cc(C(=O)NC3CCCCC3)c(=O)oc2c2ccccc12 ZINC000073158824 216358516 /nfs/dbraw/zinc/35/85/16/216358516.db2.gz QNWRSOIUKSXZGV-UHFFFAOYSA-N 0 0 335.403 4.317 1 10 EICFRN COc1cccc(C2=NC(C)(C)N[C@H](c3cc(Cl)ccc3O)C2)c1 ZINC000004729713 210262921 /nfs/dbraw/zinc/26/29/21/210262921.db2.gz QCROZAMTXGFGND-KRWDZBQOSA-N 0 0 344.842 4.314 1 10 EICFRN Cc1cccc(C2=NN=C(c3ccc(Br)cc3)C2)c1O ZINC000066080394 215007577 /nfs/dbraw/zinc/00/75/77/215007577.db2.gz ZBBCBKVXXGHTSY-UHFFFAOYSA-N 0 0 329.197 4.060 1 10 EICFRN CC1=NNC(=O)/C1=C/c1c2cc(Cl)ccc2[nH]c1-c1ccccc1 ZINC000102908217 219240494 /nfs/dbraw/zinc/24/04/94/219240494.db2.gz NUKXNDAVGKDBIP-GXDHUFHOSA-N 0 0 335.794 4.377 1 10 EICFRN COc1c(C)c(O)cc(CCc2cccc(O)c2O)c1CC=C(C)C ZINC000014679203 291007737 /nfs/dbraw/zinc/00/77/37/291007737.db2.gz UOIFCEAENREHJA-UHFFFAOYSA-N 0 0 342.435 4.414 1 10 biogenic,in-vitro EICFRN COc1c2oc3cc(O)c(O)cc3c2c(O)cc1-c1ccc(O)cc1 ZINC000072107829 216009281 /nfs/dbraw/zinc/00/92/81/216009281.db2.gz PLXYXSNSJXMTSA-UHFFFAOYSA-N 0 0 338.315 4.084 1 10 in-vitro EICFRN COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(N)cc1 ZINC000028221541 212604659 /nfs/dbraw/zinc/60/46/59/212604659.db2.gz ZLUMDOZDEUUNTK-UHFFFAOYSA-N 0 0 347.440 4.058 1 10 EICFRN CC(=O)N[C@@H](c1c[nH]c2ccccc21)c1c(O)ccc2ccccc21 ZINC000098082295 219081364 /nfs/dbraw/zinc/08/13/64/219081364.db2.gz RFITULLQMVLNLL-NRFANRHFSA-N 0 0 330.387 4.252 1 10 EICFRN CC(=O)N[C@H](c1c[nH]c2ccccc21)c1c(O)ccc2ccccc21 ZINC000098082296 219080986 /nfs/dbraw/zinc/08/09/86/219080986.db2.gz RFITULLQMVLNLL-OAQYLSRUSA-N 0 0 330.387 4.252 1 10 EICFRN Cc1ccsc1-c1nc2c(ccc3c2C(=O)c2ccccc2C3=O)[nH]1 ZINC000103287059 219283748 /nfs/dbraw/zinc/28/37/48/219283748.db2.gz WBNLNVDGCGLAMY-UHFFFAOYSA-N 0 0 344.395 4.375 1 10 EICFRN Nc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2CCCCCCC(=O)[O-])cc1 ZINC000028003443 212593924 /nfs/dbraw/zinc/59/39/24/212593924.db2.gz BQFDXUXOJXXNFM-UYAOXDASSA-N 0 0 346.515 4.385 1 10 EICFRN C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004806870 210281123 /nfs/dbraw/zinc/28/11/23/210281123.db2.gz WYWKLODTCMKACH-JGNBAYPESA-N 0 0 337.379 4.240 1 10 EICFRN CCN(CC)c1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1 ZINC000049807990 214034082 /nfs/dbraw/zinc/03/40/82/214034082.db2.gz LTIOVKFOJFTNGQ-GHRIWEEISA-N 0 0 335.451 4.300 1 10 EICFRN O=C1c2ccccc2C(=O)c2c3nc(-c4ccc(F)cc4)[nH]c3ccc21 ZINC000066077768 215006119 /nfs/dbraw/zinc/00/61/19/215006119.db2.gz VLIGWLHULWIRAT-UHFFFAOYSA-N 0 0 342.329 4.144 1 10 EICFRN Nc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1N=Nc1ccccc1 ZINC000101957849 219175884 /nfs/dbraw/zinc/17/58/84/219175884.db2.gz ZTNMGLZFDBALHQ-QURGRASLSA-N 0 0 330.351 4.100 1 10 EICFRN Oc1ccccc1[C@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1 ZINC000072113293 216011457 /nfs/dbraw/zinc/01/14/57/216011457.db2.gz PYEGVOIFSLPTBA-HXUWFJFHSA-N 0 0 331.419 4.191 1 10 EICFRN CN(C)c1ccc(-c2nc3cc(-c4cccc(O)c4)cnc3[nH]2)cc1 ZINC000028824599 212638784 /nfs/dbraw/zinc/63/87/84/212638784.db2.gz BLPQAVCUNCMBIR-UHFFFAOYSA-N 0 0 330.391 4.064 1 10 EICFRN CCCCSc1nc2c(ccc3c2C(=O)c2ccccc2C3=O)[nH]1 ZINC000103264501 219279303 /nfs/dbraw/zinc/27/93/03/219279303.db2.gz WJLMDWBACOUGTJ-UHFFFAOYSA-N 0 0 336.416 4.231 1 10 EICFRN Cc1ccc(-c2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)s1 ZINC000103287062 219283158 /nfs/dbraw/zinc/28/31/58/219283158.db2.gz SMGAKYMJEVSTRC-UHFFFAOYSA-N 0 0 344.395 4.375 1 10 EICFRN C/C=C/c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1OC)[C@@H](C)O2 ZINC000013463114 291004094 /nfs/dbraw/zinc/00/40/94/291004094.db2.gz KGQWKAXLDWKONS-ILIUCWEBSA-N 0 0 328.364 4.041 1 10 biogenic,in-vitro EICFRN COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(O)c(O)c12 ZINC000038822820 213226857 /nfs/dbraw/zinc/22/68/57/213226857.db2.gz IIJLVJMZYPZQLW-YCRPNKLZSA-N 0 0 346.467 4.405 1 10 EICFRN CC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2ccccc2c1O ZINC000036388624 213093217 /nfs/dbraw/zinc/09/32/17/213093217.db2.gz GLWRKEARHQYZAI-MRXNPFEDSA-N 0 0 331.824 4.486 3 10 EICFRN COc1cc([N+](=O)[O-])cc2c1N[C@@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 ZINC000169682999 533131957 /nfs/dbraw/zinc/13/19/57/533131957.db2.gz PSPLPPYNGLDIRF-AZAGILFBSA-N 0 0 326.396 4.414 1 10 EICFRN O=C1c2ccccc2C(=O)c2c3nc(-c4ccccc4F)[nH]c3ccc21 ZINC000066065909 215005715 /nfs/dbraw/zinc/00/57/15/215005715.db2.gz HBMPNWGFWNUSJV-UHFFFAOYSA-N 0 0 342.329 4.144 1 10 EICFRN Oc1ccccc1[C@@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1 ZINC000072113292 216011811 /nfs/dbraw/zinc/01/18/11/216011811.db2.gz PYEGVOIFSLPTBA-FQEVSTJZSA-N 0 0 331.419 4.191 1 10 EICFRN CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1O ZINC000028824306 212639151 /nfs/dbraw/zinc/63/91/51/212639151.db2.gz NAFCRWTYYJXRIX-YOUFYPILSA-N 0 0 348.483 4.367 1 10 EICFRN CC(C)(C)c1ccc(C[S@](=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000169337046 526778264 /nfs/dbraw/zinc/77/82/64/526778264.db2.gz TXRTVIJENMZEJY-BREAQWACSA-N 0 0 330.449 4.315 1 10 EICFRN COc1ccc(NC(=S)N=NC2C(=O)Nc3ccccc32)cc1 ZINC000101895531 219170326 /nfs/dbraw/zinc/17/03/26/219170326.db2.gz RRCQAXBOKBNIDS-FMQUCBEESA-N 0 0 326.381 4.363 1 10 EICFRN O=c1oc2ccccc2c(Nc2cc3ccccc3cc2O)c1[N+](=O)[O-] ZINC000102920407 219241610 /nfs/dbraw/zinc/24/16/10/219241610.db2.gz OXEYGYWVHBJIQJ-LVZFUZTISA-N 0 0 348.314 4.138 1 10 EICFRN CSC(=S)NCc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000038317633 213207599 /nfs/dbraw/zinc/20/75/99/213207599.db2.gz HPNLLVGOMKBLEH-UHFFFAOYSA-N 0 0 336.482 4.162 1 10 EICFRN COc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(O)c(O)c1 ZINC000072175830 216064860 /nfs/dbraw/zinc/06/48/60/216064860.db2.gz QVPSTGJFYRHFSU-UHFFFAOYSA-N 0 0 338.359 4.155 1 10 in-vitro EICFRN COc1cc2[nH]c(Cl)c(/C=C3/C(=O)Nc4ccccc43)c2cc1O ZINC000026647126 212527877 /nfs/dbraw/zinc/52/78/77/212527877.db2.gz OWJGTYNKONMMCQ-WUXMJOGZSA-N 0 0 340.766 4.028 1 10 EICFRN CCOc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1 ZINC000004143143 210132139 /nfs/dbraw/zinc/13/21/39/210132139.db2.gz ONBFAYWEOYFREZ-IBGZPJMESA-N 0 0 332.403 4.383 1 10 EICFRN COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000003092823 209961896 /nfs/dbraw/zinc/96/18/96/209961896.db2.gz SAXMNCRWXBGHDE-QGZVFWFLSA-N 0 0 334.356 4.349 1 10 EICFRN CCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2ccccc2c1O ZINC000036388616 213093322 /nfs/dbraw/zinc/09/33/22/213093322.db2.gz OFYVKXDSUAGNIB-KRWDZBQOSA-N 0 0 329.783 4.407 3 10 EICFRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)c(OC)c1 ZINC000096938896 218903811 /nfs/dbraw/zinc/90/38/11/218903811.db2.gz ZCKKVHSULJQUQN-SFHVURJKSA-N 0 0 348.402 4.001 1 10 EICFRN COc1ccc(NNC2=C(c3ccc([N+](=O)[O-])cc3)N=NC2=O)cc1 ZINC000169307453 533251781 /nfs/dbraw/zinc/25/17/81/533251781.db2.gz MTRFDZFQDLAXQX-HTXNQAPBSA-N 0 0 339.311 4.115 1 10 EICFRN CCCn1c2ccccc2c2c1[C@@H]1N(C)c3ccccc3C(=O)N1CC2 ZINC000064446473 132806342 /nfs/dbraw/zinc/80/63/42/132806342.db2.gz IZTYSWNRFNVSEH-OAQYLSRUSA-N 0 0 345.446 4.198 1 10 EICFRN O=[S@@](/C=C/c1ccc(O)c(O)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000169337048 226547294 /nfs/dbraw/zinc/54/72/94/226547294.db2.gz DBUVUORMXHCMTJ-MNQSQUENSA-N 0 0 342.338 4.036 1 10 EICFRN CC1(C)C=Cc2c(ccc3c(=O)cc(-c4ccc(O)c(O)c4)oc32)O1 ZINC000070455401 291005844 /nfs/dbraw/zinc/00/58/44/291005844.db2.gz SUIZLTPVUQLVLF-UHFFFAOYSA-N 0 0 336.343 4.055 1 10 biogenic,in-vitro EICFRN Cc1c(O)cc(CCc2cccc(O)c2O)c2c1OC(C)(C)C=C2 ZINC000014679204 291009546 /nfs/dbraw/zinc/00/95/46/291009546.db2.gz ODXGHQDOVZIDQZ-UHFFFAOYSA-N 0 0 326.392 4.081 1 10 biogenic,in-vitro EICFRN Cc1cc2c(nn1)-c1cc(OCc3cccc(Cl)c3)ccc1C2=O ZINC000073388015 216383084 /nfs/dbraw/zinc/38/30/84/216383084.db2.gz BFAXXNJWSVCIKV-UHFFFAOYSA-N 0 0 336.778 4.229 1 10 EICFRN Oc1cc2ccc3c(c2cc1O)CCc1cnn(-c2ccc(F)cc2)c1-3 ZINC000169339084 534448173 /nfs/dbraw/zinc/44/81/73/534448173.db2.gz MEDVWBBAGIHWHI-UHFFFAOYSA-N 0 0 346.361 4.341 1 10 EICFRN Cc1ccc(C2=NN[C@H](c3ccc(N4CCCCC4)cc3)C2)s1 ZINC000103223391 219271141 /nfs/dbraw/zinc/27/11/41/219271141.db2.gz YNZUUGVVDZBRGO-KRWDZBQOSA-N 0 0 325.481 4.486 1 10 EICFRN Cc1cccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCO4)n21 ZINC000004597535 210229472 /nfs/dbraw/zinc/22/94/72/210229472.db2.gz YLULUDMYDAPIJQ-UHFFFAOYSA-N 0 0 344.374 4.177 1 10 EICFRN COc1ccc(-n2c(C)cc(-c3nnc4n3CCCCC4)c2C)cc1 ZINC000103225967 219272137 /nfs/dbraw/zinc/27/21/37/219272137.db2.gz BMVCYZASRBQFAY-UHFFFAOYSA-N 0 0 336.439 4.088 1 10 EICFRN CC1=NN(c2ccccc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N(C)C ZINC000101835108 219167121 /nfs/dbraw/zinc/16/71/21/219167121.db2.gz CNNGJYQHKQQYCM-ZCXUNETKSA-N 0 0 339.826 4.035 1 10 EICFRN COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc(O)c1O ZINC000073200359 216363167 /nfs/dbraw/zinc/36/31/67/216363167.db2.gz ANIWSIKUYFSRCQ-UHFFFAOYSA-N 0 0 335.359 4.026 1 10 EICFRN CCOC(=O)c1cccc(/N=N/Nc2cccc(C(=O)OCC)c2)c1 ZINC000006040893 210578974 /nfs/dbraw/zinc/57/89/74/210578974.db2.gz SRQNSZYLZQIYMJ-UHFFFAOYSA-N 0 0 341.367 4.151 1 10 EICFRN O=C1c2ccccc2C(=O)C1c1cc(=O)c2ccc3ccccc3c2[nH]1 ZINC000101268076 219120376 /nfs/dbraw/zinc/12/03/76/219120376.db2.gz NQEBZPDKLALIDO-UHFFFAOYSA-N 0 0 339.350 4.256 1 10 EICFRN Cc1cc(Nc2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O ZINC000045365987 213731142 /nfs/dbraw/zinc/73/11/42/213731142.db2.gz LMPJWWHQFZECNH-UHFFFAOYSA-N 0 0 328.371 4.096 1 10 EICFRN CCC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2ccccc2c1O ZINC000036380901 213092218 /nfs/dbraw/zinc/09/22/18/213092218.db2.gz OFYVKXDSUAGNIB-QGZVFWFLSA-N 0 0 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