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)c1cc(C(=O)NCC[NH+]2CCOCC2)n(-c2ccccc2)n1 ZINC000218201607 535363209 /nfs/dbraw/zinc/36/32/09/535363209.db2.gz ASQHPLNXMNPTPJ-UHFFFAOYSA-N 1 2 342.443 2.058 50 70 EEIALO C[N@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccncc1 ZINC000218219163 241305521 /nfs/dbraw/zinc/30/55/21/241305521.db2.gz JAPUXEBPHOWYOB-UHFFFAOYSA-N 1 2 340.452 2.482 50 70 EEIALO C[N@@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccncc1 ZINC000218219163 241305523 /nfs/dbraw/zinc/30/55/23/241305523.db2.gz JAPUXEBPHOWYOB-UHFFFAOYSA-N 1 2 340.452 2.482 50 70 EEIALO CC(C)Oc1cc(N[C@@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)nc(N)[nH+]1 ZINC000218743342 534964592 /nfs/dbraw/zinc/96/45/92/534964592.db2.gz QPKBINLDUADFGX-QEJZJMRPSA-N 1 2 343.431 2.035 50 70 EEIALO CC(C)Oc1cc(N[C@@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000218743342 534964595 /nfs/dbraw/zinc/96/45/95/534964595.db2.gz QPKBINLDUADFGX-QEJZJMRPSA-N 1 2 343.431 2.035 50 70 EEIALO Cc1cccn2cc(CNC(=O)CC3=CSC4=[NH+]CCCN34)nc12 ZINC000217693785 241266984 /nfs/dbraw/zinc/26/69/84/241266984.db2.gz CMQDBJNGIVEMCA-UHFFFAOYSA-N 1 2 341.440 2.299 50 70 EEIALO OCc1cc2n(n1)CCC[N@H+](Cc1nccn1Cc1ccccc1)C2 ZINC000217030250 241233583 /nfs/dbraw/zinc/23/35/83/241233583.db2.gz VOFPKMKCJGCRKH-UHFFFAOYSA-N 1 2 337.427 2.026 50 70 EEIALO OCc1cc2n(n1)CCC[N@@H+](Cc1nccn1Cc1ccccc1)C2 ZINC000217030250 241233586 /nfs/dbraw/zinc/23/35/86/241233586.db2.gz VOFPKMKCJGCRKH-UHFFFAOYSA-N 1 2 337.427 2.026 50 70 EEIALO CC[C@H](NC(=O)C[N@@H+]1CCc2ccccc2C1)c1cn2cccnc2n1 ZINC000217163917 241237780 /nfs/dbraw/zinc/23/77/80/241237780.db2.gz SPZFCPSOGHAMOM-KRWDZBQOSA-N 1 2 349.438 2.355 50 70 EEIALO CC[C@H](NC(=O)C[N@H+]1CCc2ccccc2C1)c1cn2cccnc2n1 ZINC000217163917 241237786 /nfs/dbraw/zinc/23/77/86/241237786.db2.gz SPZFCPSOGHAMOM-KRWDZBQOSA-N 1 2 349.438 2.355 50 70 EEIALO C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000217912383 241283636 /nfs/dbraw/zinc/28/36/36/241283636.db2.gz YMNZZSGNPDHDNA-ZDUSSCGKSA-N 1 2 347.488 2.399 50 70 EEIALO C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000217912383 241283640 /nfs/dbraw/zinc/28/36/40/241283640.db2.gz YMNZZSGNPDHDNA-ZDUSSCGKSA-N 1 2 347.488 2.399 50 70 EEIALO CN(C)c1ccc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccncc2)cn1 ZINC000218398336 536147573 /nfs/dbraw/zinc/14/75/73/536147573.db2.gz GPVMWFNDJJVMCQ-LJQANCHMSA-N 1 2 334.427 2.413 50 70 EEIALO CC[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1[nH]cc(C)c(=O)c1C)C2 ZINC000217503880 241254573 /nfs/dbraw/zinc/25/45/73/241254573.db2.gz QMDSKFXPFHMZEU-QGZVFWFLSA-N 1 2 330.432 2.038 50 70 EEIALO CC[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1[nH]cc(C)c(=O)c1C)C2 ZINC000217503880 241254579 /nfs/dbraw/zinc/25/45/79/241254579.db2.gz QMDSKFXPFHMZEU-QGZVFWFLSA-N 1 2 330.432 2.038 50 70 EEIALO CCc1[nH+]c(C)ccc1OCC(=O)N1CCC[C@H]1c1nnc(C)[nH]1 ZINC000216994762 241229628 /nfs/dbraw/zinc/22/96/28/241229628.db2.gz CXTFSSZXNFCHAS-AWEZNQCLSA-N 1 2 329.404 2.121 50 70 EEIALO CC[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1[nH]cc(C)c(=O)c1C)C2 ZINC000217503951 241255832 /nfs/dbraw/zinc/25/58/32/241255832.db2.gz QMDSKFXPFHMZEU-KRWDZBQOSA-N 1 2 330.432 2.038 50 70 EEIALO CC[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1[nH]cc(C)c(=O)c1C)C2 ZINC000217503951 241255838 /nfs/dbraw/zinc/25/58/38/241255838.db2.gz QMDSKFXPFHMZEU-KRWDZBQOSA-N 1 2 330.432 2.038 50 70 EEIALO CC[C@@H](NC(=O)C[N@@H+]1CCc2ccccc2C1)c1cn2cccnc2n1 ZINC000217163915 241238766 /nfs/dbraw/zinc/23/87/66/241238766.db2.gz SPZFCPSOGHAMOM-QGZVFWFLSA-N 1 2 349.438 2.355 50 70 EEIALO CC[C@@H](NC(=O)C[N@H+]1CCc2ccccc2C1)c1cn2cccnc2n1 ZINC000217163915 241238774 /nfs/dbraw/zinc/23/87/74/241238774.db2.gz SPZFCPSOGHAMOM-QGZVFWFLSA-N 1 2 349.438 2.355 50 70 EEIALO COc1ccc(Cc2nnc3sc(Cc4[nH]cc(C)[nH+]4)nn23)cc1 ZINC000218338289 536537470 /nfs/dbraw/zinc/53/74/70/536537470.db2.gz RXOVXAQYTJBISK-UHFFFAOYSA-N 1 2 340.412 2.408 50 70 EEIALO CSc1ncc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccncc2)cn1 ZINC000218600554 241333178 /nfs/dbraw/zinc/33/31/78/241333178.db2.gz SOITVRXJQXENTI-MRXNPFEDSA-N 1 2 338.440 2.464 50 70 EEIALO CSc1ncc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccncc2)cn1 ZINC000218600475 277536246 /nfs/dbraw/zinc/53/62/46/277536246.db2.gz SOITVRXJQXENTI-INIZCTEOSA-N 1 2 338.440 2.464 50 70 EEIALO Cc1nccc(C2CCN(C(=O)C[N@@H+](C)Cc3ccccn3)CC2)n1 ZINC000217778599 241275202 /nfs/dbraw/zinc/27/52/02/241275202.db2.gz LESIELSXIMIRBX-UHFFFAOYSA-N 1 2 339.443 2.018 50 70 EEIALO Cc1nccc(C2CCN(C(=O)C[N@H+](C)Cc3ccccn3)CC2)n1 ZINC000217778599 241275208 /nfs/dbraw/zinc/27/52/08/241275208.db2.gz LESIELSXIMIRBX-UHFFFAOYSA-N 1 2 339.443 2.018 50 70 EEIALO O=C(CCCn1cc[nH+]c1)N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12 ZINC000218448607 241324587 /nfs/dbraw/zinc/32/45/87/241324587.db2.gz HZDIBQGKYMWVPK-HNJRGHQBSA-N 1 2 339.439 2.426 50 70 EEIALO CCc1[nH+]c(C)ccc1OCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000217216108 241241113 /nfs/dbraw/zinc/24/11/13/241241113.db2.gz VVVMBZUXYAXZLN-UHFFFAOYSA-N 1 2 328.416 2.461 50 70 EEIALO Cc1[nH]c(CN2CCn3nc([C@H](O)Cc4ccccc4)cc3C2)c[nH+]1 ZINC000218147733 241302545 /nfs/dbraw/zinc/30/25/45/241302545.db2.gz MLOXBOTXWKPEIJ-LJQANCHMSA-N 1 2 337.427 2.207 50 70 EEIALO Cc1[nH]cc(CN2CCn3nc([C@H](O)Cc4ccccc4)cc3C2)[nH+]1 ZINC000218147733 241302548 /nfs/dbraw/zinc/30/25/48/241302548.db2.gz MLOXBOTXWKPEIJ-LJQANCHMSA-N 1 2 337.427 2.207 50 70 EEIALO O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000218198387 241305617 /nfs/dbraw/zinc/30/56/17/241305617.db2.gz VSQUCPTUAYPETP-MSOLQXFVSA-N 1 2 341.411 2.186 50 70 EEIALO CCN(C)c1cc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)nc[nH+]1 ZINC000216720347 241206487 /nfs/dbraw/zinc/20/64/87/241206487.db2.gz ZIVUQWANBVMKEN-LJQANCHMSA-N 1 2 343.475 2.304 50 70 EEIALO CCN(C)c1cc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)[nH+]cn1 ZINC000216720347 241206496 /nfs/dbraw/zinc/20/64/96/241206496.db2.gz ZIVUQWANBVMKEN-LJQANCHMSA-N 1 2 343.475 2.304 50 70 EEIALO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000217017874 241229073 /nfs/dbraw/zinc/22/90/73/241229073.db2.gz BBUJHFWNNJADFQ-UHFFFAOYSA-N 1 2 332.367 2.382 50 70 EEIALO O=C(COC[C@H]1CCCCO1)NCc1ccccc1-n1cc[nH+]c1 ZINC000218377918 241318357 /nfs/dbraw/zinc/31/83/57/241318357.db2.gz QSGHCFLDMVBBII-MRXNPFEDSA-N 1 2 329.400 2.074 50 70 EEIALO COc1cc(OC)cc(-c2nnc3sc(Cn4cc[nH+]c4)nn32)c1 ZINC000218368758 241317007 /nfs/dbraw/zinc/31/70/07/241317007.db2.gz UBNKMJFQKISDGA-UHFFFAOYSA-N 1 2 342.384 2.115 50 70 EEIALO CC(C)Cc1cc(-c2nnc3sc(Cn4cc[nH+]c4)nn32)n(C)n1 ZINC000218287498 535332021 /nfs/dbraw/zinc/33/20/21/535332021.db2.gz BXFWAQGWHOVLQV-UHFFFAOYSA-N 1 2 342.432 2.030 50 70 EEIALO Cc1cc2c(cc1C(=O)N(C)CCCc1[nH+]ccn1C)OCCO2 ZINC000218005947 241290026 /nfs/dbraw/zinc/29/00/26/241290026.db2.gz ZQYDNWMBRAXIOK-UHFFFAOYSA-N 1 2 329.400 2.205 50 70 EEIALO CC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3)cc2)CC1 ZINC000217864751 241279889 /nfs/dbraw/zinc/27/98/89/241279889.db2.gz QTXVOGWXSYYYGR-UHFFFAOYSA-N 1 2 342.443 2.016 50 70 EEIALO O=C(CC1=CSC2=[NH+]CCCN12)N[C@H]1COc2ccccc2C1 ZINC000217182309 241239202 /nfs/dbraw/zinc/23/92/02/241239202.db2.gz MIOHXMXUFVWZDD-CYBMUJFWSA-N 1 2 329.425 2.146 50 70 EEIALO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1 ZINC000159377656 534871170 /nfs/dbraw/zinc/87/11/70/534871170.db2.gz TWHHXTLPMUQCET-ZDUSSCGKSA-N 1 2 337.832 2.292 50 70 EEIALO CN(C)c1ccc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccncc2)cn1 ZINC000218398253 464108438 /nfs/dbraw/zinc/10/84/38/464108438.db2.gz GPVMWFNDJJVMCQ-IBGZPJMESA-N 1 2 334.427 2.413 50 70 EEIALO O=C(CC1=CSC2=[NH+]CCCN12)N[C@@H]1COc2ccccc2C1 ZINC000217182303 241238084 /nfs/dbraw/zinc/23/80/84/241238084.db2.gz MIOHXMXUFVWZDD-ZDUSSCGKSA-N 1 2 329.425 2.146 50 70 EEIALO CN1CC[N@H+](C)[C@@H](Cc2ncnn2-c2cccc(C(F)(F)F)c2)C1 ZINC000217862879 241279960 /nfs/dbraw/zinc/27/99/60/241279960.db2.gz FFCXLYANUYPQNO-AWEZNQCLSA-N 1 2 339.365 2.074 50 70 EEIALO CN1CC[N@@H+](C)[C@@H](Cc2ncnn2-c2cccc(C(F)(F)F)c2)C1 ZINC000217862879 241279965 /nfs/dbraw/zinc/27/99/65/241279965.db2.gz FFCXLYANUYPQNO-AWEZNQCLSA-N 1 2 339.365 2.074 50 70 EEIALO O=C(CC1=CSC2=[NH+]CCCN12)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000217838469 241277740 /nfs/dbraw/zinc/27/77/40/241277740.db2.gz VRRNNWOWAAZOPO-LBPRGKRZSA-N 1 2 331.445 2.156 50 70 EEIALO CCc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)[nH]1 ZINC000218020728 241291823 /nfs/dbraw/zinc/29/18/23/241291823.db2.gz IOTMSHALYGCTMK-UHFFFAOYSA-N 1 2 327.428 2.414 50 70 EEIALO Cc1cccc(N2CC[NH+](CC(=O)NCC[C@H]3CCCCO3)CC2)c1 ZINC000217162385 241238690 /nfs/dbraw/zinc/23/86/90/241238690.db2.gz UGEMBUWAOOZOGZ-LJQANCHMSA-N 1 2 345.487 2.192 50 70 EEIALO C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000217912287 241284017 /nfs/dbraw/zinc/28/40/17/241284017.db2.gz YMNZZSGNPDHDNA-CYBMUJFWSA-N 1 2 347.488 2.399 50 70 EEIALO C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000217912287 241284023 /nfs/dbraw/zinc/28/40/23/241284023.db2.gz YMNZZSGNPDHDNA-CYBMUJFWSA-N 1 2 347.488 2.399 50 70 EEIALO C[N@H+](CC(=O)N1CC(c2nc3ccccc3[nH]2)C1)Cc1cccnc1 ZINC000217945147 241286014 /nfs/dbraw/zinc/28/60/14/241286014.db2.gz GUUHEVLGSVDJGT-UHFFFAOYSA-N 1 2 335.411 2.016 50 70 EEIALO C[N@@H+](CC(=O)N1CC(c2nc3ccccc3[nH]2)C1)Cc1cccnc1 ZINC000217945147 241286017 /nfs/dbraw/zinc/28/60/17/241286017.db2.gz GUUHEVLGSVDJGT-UHFFFAOYSA-N 1 2 335.411 2.016 50 70 EEIALO Cn1nc(C[N@@H+]2CCCn3nc(CO)cc3C2)c2c1cccc2Cl ZINC000217926116 241284278 /nfs/dbraw/zinc/28/42/78/241284278.db2.gz FMOJQLOPSXDNAN-UHFFFAOYSA-N 1 2 345.834 2.321 50 70 EEIALO Cn1nc(C[N@H+]2CCCn3nc(CO)cc3C2)c2c1cccc2Cl ZINC000217926116 241284281 /nfs/dbraw/zinc/28/42/81/241284281.db2.gz FMOJQLOPSXDNAN-UHFFFAOYSA-N 1 2 345.834 2.321 50 70 EEIALO O=C(C[N@@H+]1CCOc2ccccc2C1)N1CCC(c2cc[nH]n2)CC1 ZINC000217066634 241236932 /nfs/dbraw/zinc/23/69/32/241236932.db2.gz ZCLZIFAQVPHDOQ-UHFFFAOYSA-N 1 2 340.427 2.010 50 70 EEIALO O=C(C[N@H+]1CCOc2ccccc2C1)N1CCC(c2cc[nH]n2)CC1 ZINC000217066634 241236936 /nfs/dbraw/zinc/23/69/36/241236936.db2.gz ZCLZIFAQVPHDOQ-UHFFFAOYSA-N 1 2 340.427 2.010 50 70 EEIALO CCc1[nH+]c(C)ccc1OCC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000217201789 241241732 /nfs/dbraw/zinc/24/17/32/241241732.db2.gz UBOKTHJHFXFCDZ-OAHLLOKOSA-N 1 2 348.443 2.176 50 70 EEIALO Cc1nc2cc(CNC(=O)C[N@H+](C)Cc3cccnc3)ccc2n1C ZINC000217642190 241266317 /nfs/dbraw/zinc/26/63/17/241266317.db2.gz FNWGIXPGRVMFMD-UHFFFAOYSA-N 1 2 337.427 2.025 50 70 EEIALO Cc1nc2cc(CNC(=O)C[N@@H+](C)Cc3cccnc3)ccc2n1C ZINC000217642190 241266323 /nfs/dbraw/zinc/26/63/23/241266323.db2.gz FNWGIXPGRVMFMD-UHFFFAOYSA-N 1 2 337.427 2.025 50 70 EEIALO CC(C)c1nnc([C@@H](C)NC(=O)C[N@@H+]2CCOc3ccccc3C2)o1 ZINC000217216657 241240379 /nfs/dbraw/zinc/24/03/79/241240379.db2.gz OHXMMPLFVXICLH-CYBMUJFWSA-N 1 2 344.415 2.265 50 70 EEIALO CC(C)c1nnc([C@@H](C)NC(=O)C[N@H+]2CCOc3ccccc3C2)o1 ZINC000217216657 241240392 /nfs/dbraw/zinc/24/03/92/241240392.db2.gz OHXMMPLFVXICLH-CYBMUJFWSA-N 1 2 344.415 2.265 50 70 EEIALO O=C(NCCn1cc[nH+]c1-c1cccnc1)c1ccc2c(c1)OCO2 ZINC000217866518 241281461 /nfs/dbraw/zinc/28/14/61/241281461.db2.gz LHTDJXZKAYXSQK-UHFFFAOYSA-N 1 2 336.351 2.104 50 70 EEIALO CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000218104364 241297993 /nfs/dbraw/zinc/29/79/93/241297993.db2.gz CNOPKWXBJGGURJ-RTBURBONSA-N 1 2 344.455 2.259 50 70 EEIALO Cc1cccc(N2CC[NH+](CC(=O)NCC[C@@H]3CCCCO3)CC2)c1 ZINC000217162378 241238290 /nfs/dbraw/zinc/23/82/90/241238290.db2.gz UGEMBUWAOOZOGZ-IBGZPJMESA-N 1 2 345.487 2.192 50 70 EEIALO Cc1[nH+]c2cc(CNC(=O)CCN3CCCCCC3=O)ccc2n1C ZINC000217205738 241242517 /nfs/dbraw/zinc/24/25/17/241242517.db2.gz INXJDXCMUDMGHU-UHFFFAOYSA-N 1 2 342.443 2.291 50 70 EEIALO CC(C)c1nnc([C@H](C)NC(=O)C[N@@H+]2CCOc3ccccc3C2)o1 ZINC000217216664 535004160 /nfs/dbraw/zinc/00/41/60/535004160.db2.gz OHXMMPLFVXICLH-ZDUSSCGKSA-N 1 2 344.415 2.265 50 70 EEIALO CC(C)c1nnc([C@H](C)NC(=O)C[N@H+]2CCOc3ccccc3C2)o1 ZINC000217216664 535004165 /nfs/dbraw/zinc/00/41/65/535004165.db2.gz OHXMMPLFVXICLH-ZDUSSCGKSA-N 1 2 344.415 2.265 50 70 EEIALO CC(C)c1csc(CCNC(=O)C[N@H+](C)Cc2cccnc2)n1 ZINC000217630176 241265511 /nfs/dbraw/zinc/26/55/11/241265511.db2.gz QDJXYQIJJVSLKC-UHFFFAOYSA-N 1 2 332.473 2.452 50 70 EEIALO CC(C)c1csc(CCNC(=O)C[N@@H+](C)Cc2cccnc2)n1 ZINC000217630176 241265519 /nfs/dbraw/zinc/26/55/19/241265519.db2.gz QDJXYQIJJVSLKC-UHFFFAOYSA-N 1 2 332.473 2.452 50 70 EEIALO CCn1c(CNC(=O)C[N@H+](C)Cc2ccncc2)nc2ccccc21 ZINC000217155634 535984507 /nfs/dbraw/zinc/98/45/07/535984507.db2.gz ZTIMUHZDJWKDBZ-UHFFFAOYSA-N 1 2 337.427 2.199 50 70 EEIALO CCn1c(CNC(=O)C[N@@H+](C)Cc2ccncc2)nc2ccccc21 ZINC000217155634 535984511 /nfs/dbraw/zinc/98/45/11/535984511.db2.gz ZTIMUHZDJWKDBZ-UHFFFAOYSA-N 1 2 337.427 2.199 50 70 EEIALO O=C(COC[C@@H]1CCCCO1)NCc1ccccc1-n1cc[nH+]c1 ZINC000218377857 241318209 /nfs/dbraw/zinc/31/82/09/241318209.db2.gz QSGHCFLDMVBBII-INIZCTEOSA-N 1 2 329.400 2.074 50 70 EEIALO OC[C@H](O)c1cc2n(n1)CC[N@H+](Cc1csc3ccccc13)C2 ZINC000217204095 241242059 /nfs/dbraw/zinc/24/20/59/241242059.db2.gz IMQAMNPXRKCOCU-INIZCTEOSA-N 1 2 329.425 2.139 50 70 EEIALO OC[C@H](O)c1cc2n(n1)CC[N@@H+](Cc1csc3ccccc13)C2 ZINC000217204095 241242065 /nfs/dbraw/zinc/24/20/65/241242065.db2.gz IMQAMNPXRKCOCU-INIZCTEOSA-N 1 2 329.425 2.139 50 70 EEIALO O=C(Cn1cc[nH+]c1-c1ccccc1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000218273075 241309945 /nfs/dbraw/zinc/30/99/45/241309945.db2.gz PSPCSVNSGRSJST-UHFFFAOYSA-N 1 2 347.378 2.036 50 70 EEIALO C[C@@H](O)c1cc2n(n1)CC[N@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000217485225 241252016 /nfs/dbraw/zinc/25/20/16/241252016.db2.gz CBUVRIUVEAROND-OAHLLOKOSA-N 1 2 337.427 2.197 50 70 EEIALO C[C@@H](O)c1cc2n(n1)CC[N@@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000217485225 241252019 /nfs/dbraw/zinc/25/20/19/241252019.db2.gz CBUVRIUVEAROND-OAHLLOKOSA-N 1 2 337.427 2.197 50 70 EEIALO C[NH+](C)[C@@H](C(=O)NCCc1nc(C2CC2)no1)c1ccccc1F ZINC000217102347 241236621 /nfs/dbraw/zinc/23/66/21/241236621.db2.gz LDMQCDCWQZCZFX-OAHLLOKOSA-N 1 2 332.379 2.048 50 70 EEIALO O=C(CC1=CSC2=[NH+]CCCN12)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000217838386 241277213 /nfs/dbraw/zinc/27/72/13/241277213.db2.gz VRRNNWOWAAZOPO-GFCCVEGCSA-N 1 2 331.445 2.156 50 70 EEIALO O=C(NC1Cc2ccccc2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161257011 463413757 /nfs/dbraw/zinc/41/37/57/463413757.db2.gz MKKNOMCPECCNLU-UHFFFAOYSA-N 1 2 336.439 2.076 50 70 EEIALO CCc1[nH+]c(C)ccc1OCC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000217201794 241241621 /nfs/dbraw/zinc/24/16/21/241241621.db2.gz UBOKTHJHFXFCDZ-HNNXBMFYSA-N 1 2 348.443 2.176 50 70 EEIALO OC[C@@H](O)c1cc2n(n1)CC[N@H+](Cc1csc3ccccc13)C2 ZINC000217204090 241241568 /nfs/dbraw/zinc/24/15/68/241241568.db2.gz IMQAMNPXRKCOCU-MRXNPFEDSA-N 1 2 329.425 2.139 50 70 EEIALO OC[C@@H](O)c1cc2n(n1)CC[N@@H+](Cc1csc3ccccc13)C2 ZINC000217204090 241241578 /nfs/dbraw/zinc/24/15/78/241241578.db2.gz IMQAMNPXRKCOCU-MRXNPFEDSA-N 1 2 329.425 2.139 50 70 EEIALO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CC1=CSC2=[NH+]CCN12 ZINC000218370876 241317437 /nfs/dbraw/zinc/31/74/37/241317437.db2.gz HPEWJXLYVBYQOL-UHFFFAOYSA-N 1 2 333.461 2.316 50 70 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