smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[NH+](Cc1c(O)ccc2c3c(c(=O)oc21)CCC3)CC(C)C ZINC000000122722 563995854 /nfs/dbraw/zinc/99/58/54/563995854.db2.gz NGXNLRWGXCVBNE-UHFFFAOYSA-N 1 2 343.467 4.101 50 10 aggregator,biogenic EICALO Cc1cccc([C@H](Nc2cccc[nH+]2)c2ccc3cccnc3c2O)n1 ZINC000019842989 202024160 /nfs/dbraw/zinc/02/41/60/202024160.db2.gz JSLNGYONZXJHGQ-HXUWFJFHSA-N 1 2 342.402 4.240 50 10 EICALO COC(=O)c1ccccc1Nc1c(-c2ccco2)[nH+]c2ccc(C)cn21 ZINC000035622045 202307522 /nfs/dbraw/zinc/30/75/22/202307522.db2.gz DYOLIXRFZJIVOD-UHFFFAOYSA-N 1 2 347.374 4.433 50 10 EICALO Cc1ccc2ccc([C@@H](Nc3cccc[nH+]3)c3cccnc3)c(O)c2n1 ZINC000019799993 202022660 /nfs/dbraw/zinc/02/26/60/202022660.db2.gz OFMIIQLTLSPRQI-IBGZPJMESA-N 1 2 342.402 4.240 50 10 EICALO Cc1c2ccc(O)c(C[NH+]3CCCCC3)c2oc(=O)c1-c1ccccc1 ZINC000004353837 201359752 /nfs/dbraw/zinc/35/97/52/201359752.db2.gz FXCXFCAYQWOOEI-UHFFFAOYSA-N 1 2 349.430 4.460 50 10 biogenic EICALO Cc1c2ccc(O)c(C[NH+]3CCCC3)c2oc(=O)c1-c1ccccc1 ZINC000004353871 201360223 /nfs/dbraw/zinc/36/02/23/201360223.db2.gz ZPJPRYUILNIJDN-UHFFFAOYSA-N 1 2 335.403 4.070 50 10 aggregator,biogenic EICALO O=[N+]([O-])c1cc(F)ccc1Nc1ccc([NH2+]C2CCOCC2)cc1 ZINC000058289797 563941752 /nfs/dbraw/zinc/94/17/52/563941752.db2.gz YQAANLPNPPQCNO-UHFFFAOYSA-N 1 2 331.347 4.068 50 10 EICALO CCCc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@@H]1CC ZINC000005046710 563994059 /nfs/dbraw/zinc/99/40/59/563994059.db2.gz LCSSFBMCLVEOCG-HNNXBMFYSA-N 1 2 329.440 4.216 50 10 EICALO CCCc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@@H]1CC ZINC000005046710 563994060 /nfs/dbraw/zinc/99/40/60/563994060.db2.gz LCSSFBMCLVEOCG-HNNXBMFYSA-N 1 2 329.440 4.216 50 10 EICALO Cc1ccc2ccc([C@H](Nc3cccc[nH+]3)c3cccnc3)c(O)c2n1 ZINC000019799995 202021752 /nfs/dbraw/zinc/02/17/52/202021752.db2.gz OFMIIQLTLSPRQI-LJQANCHMSA-N 1 2 342.402 4.240 50 10 EICALO Oc1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000004981012 563919008 /nfs/dbraw/zinc/91/90/08/563919008.db2.gz WJUKWHSYVWDXQU-UHFFFAOYSA-N 1 2 337.250 4.021 50 10 EICALO CCCC[NH+](CCCC)Cc1c(O)ccc2c3c(c(=O)oc21)CCC3 ZINC000001780046 564057514 /nfs/dbraw/zinc/05/75/14/564057514.db2.gz CGVJGBMMZOCHCU-UHFFFAOYSA-N 1 2 343.467 4.390 50 10 biogenic EICALO Cc1cccc2[nH+]c(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n21 ZINC000003909777 564060347 /nfs/dbraw/zinc/06/03/47/564060347.db2.gz VHYZVYWNMRZJFN-UHFFFAOYSA-N 1 2 333.347 4.375 50 10 EICALO C[N@H+](Cc1ccccc1)Cc1c(O)ccc2c3ccccc3c(=O)oc21 ZINC000013425402 563698431 /nfs/dbraw/zinc/69/84/31/563698431.db2.gz DHRWAOWKWHHROR-UHFFFAOYSA-N 1 2 345.398 4.284 50 10 EICALO C[N@@H+](Cc1ccccc1)Cc1c(O)ccc2c3ccccc3c(=O)oc21 ZINC000013425402 563698432 /nfs/dbraw/zinc/69/84/32/563698432.db2.gz DHRWAOWKWHHROR-UHFFFAOYSA-N 1 2 345.398 4.284 50 10 EICALO CC(C)[NH2+]Cc1c2c(cc(Br)c1O)oc1c2CCCC1 ZINC000020842308 202056476 /nfs/dbraw/zinc/05/64/76/202056476.db2.gz QLPSQHQNKZDNLJ-UHFFFAOYSA-N 1 2 338.245 4.278 50 10 EICALO COc1c(C)c[nH+]c(CSc2ncc(-c3ccccc3)n2C)c1C ZINC000078709100 202399232 /nfs/dbraw/zinc/39/92/32/202399232.db2.gz MVFVSAZYKMAHNC-UHFFFAOYSA-N 1 2 339.464 4.400 50 10 EICALO O=c1oc2c(ccc(O)c2C[NH+]2CCCCC2)cc1-c1ccccc1 ZINC000001317602 201358837 /nfs/dbraw/zinc/35/88/37/201358837.db2.gz ZOOGQJOPWJIBRC-UHFFFAOYSA-N 1 2 335.403 4.152 50 10 EICALO CC[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2c3ccccc3c(=O)oc21 ZINC000000045111 563970385 /nfs/dbraw/zinc/97/03/85/563970385.db2.gz DLZWDJYQYWBOLU-CQSZACIVSA-N 1 2 337.419 4.416 50 10 EICALO CC[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2c3ccccc3c(=O)oc21 ZINC000000045111 563970386 /nfs/dbraw/zinc/97/03/86/563970386.db2.gz DLZWDJYQYWBOLU-CQSZACIVSA-N 1 2 337.419 4.416 50 10 EICALO Cc1cccc2[nH+]c(-c3ccco3)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000003909773 564060340 /nfs/dbraw/zinc/06/03/40/564060340.db2.gz PPRHUTHYAVJGDO-UHFFFAOYSA-N 1 2 347.374 4.418 50 10 EICALO O=C(Nc1c2ccccc2[nH+]c2ccccc21)c1n[nH]c2c1CCCC2 ZINC000008740769 563638349 /nfs/dbraw/zinc/63/83/49/563638349.db2.gz WRVUPSFLOORTPI-UHFFFAOYSA-N 1 2 342.402 4.242 50 10 EICALO Oc1c(Cl)cc(Cl)cc1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019301132 563918181 /nfs/dbraw/zinc/91/81/81/563918181.db2.gz VGVLRBZRXUPPKU-OAHLLOKOSA-N 1 2 333.218 4.415 50 10 EICALO CCCc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@H]1CC ZINC000005046711 563994048 /nfs/dbraw/zinc/99/40/48/563994048.db2.gz LCSSFBMCLVEOCG-OAHLLOKOSA-N 1 2 329.440 4.216 50 10 EICALO CCCc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@H]1CC ZINC000005046711 563994049 /nfs/dbraw/zinc/99/40/49/563994049.db2.gz LCSSFBMCLVEOCG-OAHLLOKOSA-N 1 2 329.440 4.216 50 10 EICALO CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=C[NH2+]Nc1ccc(C)c(C)c1 ZINC000004413333 210189850 /nfs/dbraw/zinc/18/98/50/210189850.db2.gz RMKPBMLLKKKHTR-NDENLUEZSA-N 1 2 348.450 4.143 50 10 EICALO Cc1ccc2[nH+]c(-c3ccco3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000101316681 219121139 /nfs/dbraw/zinc/12/11/39/219121139.db2.gz PLKUHMAFXYMQDZ-UHFFFAOYSA-N 1 2 347.374 4.418 50 10 EICALO COc1ccc(-n2c[nH+]c3cc(NCc4ccccc4O)ccc32)cc1 ZINC000000034532 563211922 /nfs/dbraw/zinc/21/19/22/563211922.db2.gz ZGHBPZSDEAOJQX-UHFFFAOYSA-N 1 2 345.402 4.352 50 10 EICALO CC[N@H+](Cc1c(O)ccc2c3c(c(=O)oc21)CCC3)C1CCCCC1 ZINC000000122757 563986839 /nfs/dbraw/zinc/98/68/39/563986839.db2.gz VALXNNILOGGICK-UHFFFAOYSA-N 1 2 341.451 4.142 50 10 biogenic EICALO CC[N@@H+](Cc1c(O)ccc2c3c(c(=O)oc21)CCC3)C1CCCCC1 ZINC000000122757 563986840 /nfs/dbraw/zinc/98/68/40/563986840.db2.gz VALXNNILOGGICK-UHFFFAOYSA-N 1 2 341.451 4.142 50 10 biogenic EICALO COC(=O)c1ccccc1Nc1c(-c2ccco2)[nH+]c2cc(C)ccn21 ZINC000035616048 213042692 /nfs/dbraw/zinc/04/26/92/213042692.db2.gz QRMLIEJEGQYFQG-UHFFFAOYSA-N 1 2 347.374 4.433 50 10 EICALO C[C@@H]1CCC[N@H+](Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC000000407891 563307310 /nfs/dbraw/zinc/30/73/10/563307310.db2.gz ABTUOYUETFJRLF-OAHLLOKOSA-N 1 2 349.430 4.398 50 10 biogenic EICALO C[C@@H]1CCC[N@@H+](Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC000000407891 563307313 /nfs/dbraw/zinc/30/73/13/563307313.db2.gz ABTUOYUETFJRLF-OAHLLOKOSA-N 1 2 349.430 4.398 50 10 biogenic EICALO CC1=CC(C)(C)[NH+]=C(Nc2nc3ccccc3c(-c3ccccc3)n2)N1 ZINC000000553052 564023039 /nfs/dbraw/zinc/02/30/39/564023039.db2.gz DXICUHJLOMNKOU-UHFFFAOYSA-N 1 2 343.434 4.350 50 10 EICALO CCn1c2ccccc2[nH+]c1NCc1cc(Br)ccc1O ZINC000000285493 563272663 /nfs/dbraw/zinc/27/26/63/563272663.db2.gz GUVFPFMXZFAHAM-UHFFFAOYSA-N 1 2 346.228 4.136 50 10 EICALO COc1ccccc1-n1c[nH+]c2cc(NCc3ccccc3O)ccc21 ZINC000001283183 564062941 /nfs/dbraw/zinc/06/29/41/564062941.db2.gz NCPGCIWQFAKYKF-UHFFFAOYSA-N 1 2 345.402 4.352 50 10 EICALO CCCC[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccc(=O)oc21 ZINC000015833992 564076150 /nfs/dbraw/zinc/07/61/50/564076150.db2.gz PHMFHCHYRTZBLL-UHFFFAOYSA-N 1 2 337.419 4.301 50 10 EICALO CCCC[N@@H+](Cc1ccccc1)Cc1c(O)ccc2ccc(=O)oc21 ZINC000015833992 564076151 /nfs/dbraw/zinc/07/61/51/564076151.db2.gz PHMFHCHYRTZBLL-UHFFFAOYSA-N 1 2 337.419 4.301 50 10 EICALO CCc1cc(=O)oc2c1ccc(O)c2C[NH2+][C@@H]1CCCc2ccccc21 ZINC000006764509 564097341 /nfs/dbraw/zinc/09/73/41/564097341.db2.gz HOYPJKJAXWWSKK-LJQANCHMSA-N 1 2 349.430 4.228 50 10 EICALO CCc1cc(=O)oc2c1ccc(O)c2C[NH2+][C@H]1CCCc2ccccc21 ZINC000006764510 564097358 /nfs/dbraw/zinc/09/73/58/564097358.db2.gz HOYPJKJAXWWSKK-IBGZPJMESA-N 1 2 349.430 4.228 50 10 EICALO Oc1c(Br)cccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000048794528 564032288 /nfs/dbraw/zinc/03/22/88/564032288.db2.gz SPJYZVPVACYDCR-UHFFFAOYSA-N 1 2 336.273 4.213 50 10 EICALO CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=C[NH2+]Nc1ccc(C)cc1C ZINC000005009765 210361333 /nfs/dbraw/zinc/36/13/33/210361333.db2.gz QLMPKRBRGYKLGZ-UNOMPAQXSA-N 1 2 348.450 4.143 50 10 EICALO C[N@H+](Cc1ccccc1)Cc1c(O)ccc2c3c(c(=O)oc21)CCCC3 ZINC000002598879 563443906 /nfs/dbraw/zinc/44/39/06/563443906.db2.gz QUDOKQDBCOZAKD-UHFFFAOYSA-N 1 2 349.430 4.009 50 10 EICALO C[N@@H+](Cc1ccccc1)Cc1c(O)ccc2c3c(c(=O)oc21)CCCC3 ZINC000002598879 563443911 /nfs/dbraw/zinc/44/39/11/563443911.db2.gz QUDOKQDBCOZAKD-UHFFFAOYSA-N 1 2 349.430 4.009 50 10 EICALO COC(=O)c1ccccc1Nc1c(-c2ccc(C)o2)[nH+]c2ccccn21 ZINC000035616056 564129169 /nfs/dbraw/zinc/12/91/69/564129169.db2.gz ITCBIMWDGMOAEQ-UHFFFAOYSA-N 1 2 347.374 4.433 50 10 EICALO Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1C[NH+]1CCCC1 ZINC000000045106 209387658 /nfs/dbraw/zinc/38/76/58/209387658.db2.gz XOHXOILMMLLTCH-UHFFFAOYSA-N 1 2 335.403 4.070 50 10 EICALO Oc1ccccc1[C@@H](Nc1cccc[nH+]1)c1ccc2cccnc2c1O ZINC000000038230 563968594 /nfs/dbraw/zinc/96/85/94/563968594.db2.gz WDUVBQZZERJUFX-HXUWFJFHSA-N 1 2 343.386 4.243 50 10 EICALO Cc1cc(O)c(CN2CC[NH+](Cc3cccs3)CC2)cc1C(C)C ZINC000022019077 212270838 /nfs/dbraw/zinc/27/08/38/212270838.db2.gz TYLBMOHGXKJFSR-UHFFFAOYSA-N 1 2 344.524 4.203 50 10 EICALO C[N@H+](Cc1c(O)ccc2c3ccccc3c(=O)oc21)C1CCCCC1 ZINC000000142645 563987147 /nfs/dbraw/zinc/98/71/47/563987147.db2.gz YQIBCBWHGJLCTN-UHFFFAOYSA-N 1 2 337.419 4.416 50 10 EICALO C[N@@H+](Cc1c(O)ccc2c3ccccc3c(=O)oc21)C1CCCCC1 ZINC000000142645 563987148 /nfs/dbraw/zinc/98/71/48/563987148.db2.gz YQIBCBWHGJLCTN-UHFFFAOYSA-N 1 2 337.419 4.416 50 10 EICALO C[NH+](C)c1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1 ZINC000000469061 563997453 /nfs/dbraw/zinc/99/74/53/563997453.db2.gz UJSVYLXQBUTUDF-UHFFFAOYSA-N 1 2 327.409 4.031 50 10 EICALO COc1ccc(N2CCN(c3cc(C)c4cccc(C)c4[nH+]3)CC2)cc1 ZINC000003412553 210031016 /nfs/dbraw/zinc/03/10/16/210031016.db2.gz BEKCWACWOPMDFW-UHFFFAOYSA-N 1 2 347.462 4.187 50 10 EICALO Oc1ccccc1C1N(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000019300103 212013481 /nfs/dbraw/zinc/01/34/81/212013481.db2.gz WZYDUILDTXZIHH-UHFFFAOYSA-N 1 2 344.458 4.409 50 10 EICALO Oc1ccccc1C1N(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000019300103 212013483 /nfs/dbraw/zinc/01/34/83/212013483.db2.gz WZYDUILDTXZIHH-UHFFFAOYSA-N 1 2 344.458 4.409 50 10 EICALO Oc1ccccc1[C@H](Nc1cccc[nH+]1)c1ccc2cccnc2c1O ZINC000000038229 563968586 /nfs/dbraw/zinc/96/85/86/563968586.db2.gz WDUVBQZZERJUFX-FQEVSTJZSA-N 1 2 343.386 4.243 50 10 EICALO CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc([NH+](C)C)cc1 ZINC000103999716 564023583 /nfs/dbraw/zinc/02/35/83/564023583.db2.gz OSJQONNGPBTUFA-DEDYPNTBSA-N 1 2 348.450 4.088 50 10 EICALO CC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2c3ccccc3c(=O)oc21 ZINC000000045110 209388120 /nfs/dbraw/zinc/38/81/20/209388120.db2.gz DLZWDJYQYWBOLU-AWEZNQCLSA-N 1 2 337.419 4.416 50 10 EICALO CC[C@H]1CCCC[N@H+]1Cc1c(O)ccc2c3ccccc3c(=O)oc21 ZINC000000045110 209388124 /nfs/dbraw/zinc/38/81/24/209388124.db2.gz DLZWDJYQYWBOLU-AWEZNQCLSA-N 1 2 337.419 4.416 50 10 EICALO Cc1ccc2ccc([C@H](Nc3cccc[nH+]3)c3ccccn3)c(O)c2n1 ZINC000019843044 212075470 /nfs/dbraw/zinc/07/54/70/212075470.db2.gz OZUXQEGCXXIRJP-FQEVSTJZSA-N 1 2 342.402 4.240 50 10 EICALO CCc1cc2c(C)cc(=O)oc2c(C[NH+](CC(C)C)CC(C)C)c1O ZINC000000137922 563987031 /nfs/dbraw/zinc/98/70/31/563987031.db2.gz MPWWGTKGIAECAW-UHFFFAOYSA-N 1 2 345.483 4.483 50 10 EICALO C[C@H]1CCC[N@H+](Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC000000407890 563307360 /nfs/dbraw/zinc/30/73/60/563307360.db2.gz ABTUOYUETFJRLF-HNNXBMFYSA-N 1 2 349.430 4.398 50 10 biogenic EICALO C[C@H]1CCC[N@@H+](Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC000000407890 563307363 /nfs/dbraw/zinc/30/73/63/563307363.db2.gz ABTUOYUETFJRLF-HNNXBMFYSA-N 1 2 349.430 4.398 50 10 biogenic EICALO CC[NH+](CC)Cc1c(O)ccc2c(C)c(-c3ccccc3)c(=O)oc21 ZINC000004353830 210177955 /nfs/dbraw/zinc/17/79/55/210177955.db2.gz WLAHIVWUVMFBDE-UHFFFAOYSA-N 1 2 337.419 4.316 50 10 EICALO CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc([NH+](C)C)cc1 ZINC000006533880 563571706 /nfs/dbraw/zinc/57/17/06/563571706.db2.gz OSJQONNGPBTUFA-MOSHPQCFSA-N 1 2 348.450 4.088 50 10 EICALO COC(=O)c1ccccc1Nc1c(-c2ccco2)[nH+]c2ccccn21 ZINC000035616070 213043184 /nfs/dbraw/zinc/04/31/84/213043184.db2.gz LWNJPCCPWCFUKM-UHFFFAOYSA-N 1 2 333.347 4.125 50 10 EICALO CCCC[N@H+](C)Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21 ZINC000001782047 564090602 /nfs/dbraw/zinc/09/06/02/564090602.db2.gz RDOOISBDYPOMMW-UHFFFAOYSA-N 1 2 337.419 4.398 50 10 biogenic EICALO CCCC[N@@H+](C)Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21 ZINC000001782047 564090603 /nfs/dbraw/zinc/09/06/03/564090603.db2.gz RDOOISBDYPOMMW-UHFFFAOYSA-N 1 2 337.419 4.398 50 10 biogenic EICALO Cc1cc(O)c(C[NH+]2CCC(C)CC2)c2oc(=O)c3ccccc3c12 ZINC000004540319 210216355 /nfs/dbraw/zinc/21/63/55/210216355.db2.gz VQBCPPRTWOGYCD-UHFFFAOYSA-N 1 2 337.419 4.192 50 10 EICALO Cc1ccc2[nH+]c(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000003909822 210092825 /nfs/dbraw/zinc/09/28/25/210092825.db2.gz CUZANTKMAMMNOB-UHFFFAOYSA-N 1 2 333.347 4.375 50 10 EICALO Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1C[NH+]1CCCCC1 ZINC000000045164 209388578 /nfs/dbraw/zinc/38/85/78/209388578.db2.gz JUGWLHHBCHTWGR-UHFFFAOYSA-N 1 2 349.430 4.460 50 10 EICALO CC1CC[NH+](Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc32)CC1 ZINC000000488818 564017383 /nfs/dbraw/zinc/01/73/83/564017383.db2.gz CAIKCPYAPNQUBD-UHFFFAOYSA-N 1 2 349.430 4.398 50 10 biogenic EICALO O=c1cc(-c2ccccc2)c2ccc(O)c(C[NH+]3CCCCC3)c2o1 ZINC000000116773 564090453 /nfs/dbraw/zinc/09/04/53/564090453.db2.gz PODWTADXQSKRMR-UHFFFAOYSA-N 1 2 335.403 4.152 50 10 aggregator,biogenic EICALO Cc1ccn2c(c1)[nH+]c(-c1ccco1)c2Nc1ccc2c(c1)OCO2 ZINC000003909855 210093232 /nfs/dbraw/zinc/09/32/32/210093232.db2.gz GJCYVPMECYVOKJ-UHFFFAOYSA-N 1 2 333.347 4.375 50 10 aggregator EICALO Cc1ccc2ccc([C@@H](Nc3cccc[nH+]3)c3ccccn3)c(O)c2n1 ZINC000019843042 212075494 /nfs/dbraw/zinc/07/54/94/212075494.db2.gz OZUXQEGCXXIRJP-HXUWFJFHSA-N 1 2 342.402 4.240 50 10 EICALO c1coc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCCO3)c1 ZINC000004597431 210228966 /nfs/dbraw/zinc/22/89/66/210228966.db2.gz UENSIXLPLYMXMK-UHFFFAOYSA-N 1 2 333.347 4.109 50 10 EICALO Cc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCO3)o1 ZINC000003906239 210090248 /nfs/dbraw/zinc/09/02/48/210090248.db2.gz GRVANFRSDFKADJ-UHFFFAOYSA-N 1 2 333.347 4.375 50 10 EICALO CCCCn1c2ccccc2[nH+]c1NCc1ccc(OC)cc1O ZINC000013425494 563698408 /nfs/dbraw/zinc/69/84/08/563698408.db2.gz FVBHLMXTIXVUJE-UHFFFAOYSA-N 1 2 325.412 4.163 50 10 EICALO Oc1c(Cl)cc(Cl)cc1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019301131 563918150 /nfs/dbraw/zinc/91/81/50/563918150.db2.gz VGVLRBZRXUPPKU-HNNXBMFYSA-N 1 2 333.218 4.415 50 10 EICALO COC(=O)c1ccccc1Nc1c(-c2ccco2)[nH+]c2cccc(C)n21 ZINC000035616074 213042496 /nfs/dbraw/zinc/04/24/96/213042496.db2.gz SYBYXFKPZZFEFT-UHFFFAOYSA-N 1 2 347.374 4.433 50 10 EICALO Cc1cccc([C@@H](Nc2cccc[nH+]2)c2ccc3cccnc3c2O)n1 ZINC000019842987 212074914 /nfs/dbraw/zinc/07/49/14/212074914.db2.gz JSLNGYONZXJHGQ-FQEVSTJZSA-N 1 2 342.402 4.240 50 10 EICALO Cc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCCO3)o1 ZINC000003906240 210090604 /nfs/dbraw/zinc/09/06/04/210090604.db2.gz IAFJMOAOPOBJJO-UHFFFAOYSA-N 1 2 347.374 4.418 50 10 EICALO CCCCn1c2ccccc2[nH+]c1NCc1cccc(OC)c1O ZINC000001840873 563413759 /nfs/dbraw/zinc/41/37/59/563413759.db2.gz GFIAIAJKOHKFPX-UHFFFAOYSA-N 1 2 325.412 4.163 50 10 EICALO