smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1cc(C2CC2)[nH]n1)Cc1nc(Cc2ccccc2F)no1 ZINC000019838806 202022254 /nfs/dbraw/zinc/02/22/54/202022254.db2.gz QCMBOUGZLMSQGD-UHFFFAOYSA-N 0 1 341.390 3.032 50 0 EGAAMN C[C@H](N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000020191851 202035732 /nfs/dbraw/zinc/03/57/32/202035732.db2.gz QTKBRVVITIGIOE-BLLLJJGKSA-N 0 1 328.799 3.323 50 0 EGAAMN O=C(NCc1ccccc1)C1CCN(Cc2ccccc2F)CC1 ZINC000020100349 202031619 /nfs/dbraw/zinc/03/16/19/202031619.db2.gz ZMWBJSDNPOTYNB-UHFFFAOYSA-N 0 1 326.415 3.354 50 0 EGAAMN C[C@H]1CNC(=O)CCN1Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000067725498 202276582 /nfs/dbraw/zinc/27/65/82/202276582.db2.gz KDJNEJMUZXHMOI-HNNXBMFYSA-N 0 1 346.434 3.007 50 0 EGAAMN COc1c(CN[C@@H](C)c2ccc3c(c2)CCO3)c(C(C)C)nn1C ZINC000058402138 201141633 /nfs/dbraw/zinc/14/16/33/201141633.db2.gz HNFDKZXPPJGCAZ-ZDUSSCGKSA-N 0 1 329.444 3.338 50 0 EGAAMN COc1cc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc(OC)c1 ZINC000022766915 212321870 /nfs/dbraw/zinc/32/18/70/212321870.db2.gz IOFRWFYMIJOVNQ-INIZCTEOSA-N 0 1 349.456 3.190 50 0 EGAAMN Cc1ccsc1-c1nc(CN2CCC3(CNC(=O)C3)CC2)c(C)o1 ZINC000071751854 203108137 /nfs/dbraw/zinc/10/81/37/203108137.db2.gz KIOXJSSQQOVSRO-UHFFFAOYSA-N 0 1 345.468 3.122 50 0 EGAAMN COc1ccc(F)c(F)c1CN1CCCN(Cc2cccnc2)CC1 ZINC000072174109 203181911 /nfs/dbraw/zinc/18/19/11/203181911.db2.gz QJIQJQVSYHTPFX-UHFFFAOYSA-N 0 1 347.409 3.076 50 0 EGAAMN COc1cccc(CN2CCN(C)C[C@@H]2c2ccccc2)c1OC ZINC000020166724 212108518 /nfs/dbraw/zinc/10/85/18/212108518.db2.gz UQLYIKOUEGDMJO-GOSISDBHSA-N 0 1 326.440 3.193 50 0 EGAAMN CC(C)(O)CCc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000072473224 203231243 /nfs/dbraw/zinc/23/12/43/203231243.db2.gz PVDBXTLXYHKLGW-UHFFFAOYSA-N 0 1 344.499 3.091 50 0 EGAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3ccc(CO)cc3)[nH]c2c1 ZINC000072428772 203223083 /nfs/dbraw/zinc/22/30/83/203223083.db2.gz XQAIDXDYAJLIRH-LJQANCHMSA-N 0 1 349.434 3.270 50 0 EGAAMN CCNc1nc(C)cc(NCCNC(=O)c2cccc3ccccc32)n1 ZINC000072437922 203223891 /nfs/dbraw/zinc/22/38/91/203223891.db2.gz CNVYPJUMDBMVNF-UHFFFAOYSA-N 0 1 349.438 3.212 50 0 EGAAMN Cc1cc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)on1 ZINC000299785489 258092276 /nfs/dbraw/zinc/09/22/76/258092276.db2.gz SETQRWOKHOZNCF-ZWOKBUDYSA-N 0 1 340.423 3.454 50 0 EGAAMN C[C@H](C(=O)Nc1ccc(F)cc1)N1CCC(CCn2cccn2)CC1 ZINC000299789045 258094749 /nfs/dbraw/zinc/09/47/49/258094749.db2.gz ZWBWZOAGPGIGGW-OAHLLOKOSA-N 0 1 344.434 3.152 50 0 EGAAMN Cc1ccc2nc(C)c(C)c(C(=O)N3CC(N4CCCCC4)C3)c2c1 ZINC000095530487 281152862 /nfs/dbraw/zinc/15/28/62/281152862.db2.gz NQDNLNZZABZXMV-UHFFFAOYSA-N 0 1 337.467 3.470 50 0 EGAAMN Cc1cccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000003908611 452788648 /nfs/dbraw/zinc/78/86/48/452788648.db2.gz ZPERLHBRRCPJLJ-UHFFFAOYSA-N 0 1 347.422 3.436 50 0 EGAAMN CSCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000004144254 452794263 /nfs/dbraw/zinc/79/42/63/452794263.db2.gz YNPJLCLSSDOLGE-MRXNPFEDSA-N 0 1 348.468 3.344 50 0 EGAAMN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2F)n2ncnc2N1 ZINC000004776738 452817223 /nfs/dbraw/zinc/81/72/23/452817223.db2.gz KFNTWFKSJXIZDI-HNNXBMFYSA-N 0 1 330.363 3.049 50 0 EGAAMN COc1ccc2nc(SCc3nc4ccccc4c(=O)[nH]3)[nH]c2c1 ZINC000008706403 453223802 /nfs/dbraw/zinc/22/38/02/453223802.db2.gz ZBXCAVQNKKDIJF-UHFFFAOYSA-N 0 1 338.392 3.100 50 0 EGAAMN CCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 ZINC000008845820 453235462 /nfs/dbraw/zinc/23/54/62/453235462.db2.gz YVDNVDOBIVMSHF-IBGZPJMESA-N 0 1 349.390 3.356 50 0 EGAAMN CN1CCCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000012387837 453359428 /nfs/dbraw/zinc/35/94/28/453359428.db2.gz IKPVPPQXTJCFFU-INIZCTEOSA-N 0 1 343.402 3.114 50 0 EGAAMN CCc1ccc(C(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000067172451 453909164 /nfs/dbraw/zinc/90/91/64/453909164.db2.gz RABUNAGOZHHWKT-UHFFFAOYSA-N 0 1 335.359 3.093 50 0 EGAAMN CC(C)c1cc(C2CCN(C(=O)[C@@H]3CC(C(C)C)=NO3)CC2)n[nH]1 ZINC000067446639 453931426 /nfs/dbraw/zinc/93/14/26/453931426.db2.gz VLZUCXYQDBUOBC-KRWDZBQOSA-N 0 1 332.448 3.040 50 0 EGAAMN O=C(c1cccnc1)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 ZINC000067757491 453963485 /nfs/dbraw/zinc/96/34/85/453963485.db2.gz XQFGITZRKQMQNS-SFHVURJKSA-N 0 1 346.434 3.415 50 0 EGAAMN CCc1cn[nH]c1C1CCN(C(=O)c2c(C)nc3sccn32)CC1 ZINC000067872370 453975214 /nfs/dbraw/zinc/97/52/14/453975214.db2.gz GPRFHGVNAKWQBO-UHFFFAOYSA-N 0 1 343.456 3.010 50 0 EGAAMN CCc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n[nH]1 ZINC000067909416 453979618 /nfs/dbraw/zinc/97/96/18/453979618.db2.gz KAXAUHHZUGMLNW-AZUAARDMSA-N 0 1 349.434 3.116 50 0 EGAAMN COc1c(OC(C)=O)cc(=O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000087492993 454086674 /nfs/dbraw/zinc/08/66/74/454086674.db2.gz QDRDFENYJDAHOT-UHFFFAOYSA-N 0 1 326.304 3.100 50 0 biogenic EGAAMN COc1ccc(CC(=O)Nc2ccc3nc(C)[nH]c3c2)cc1OC ZINC000044891076 454124414 /nfs/dbraw/zinc/12/44/14/454124414.db2.gz CONRTIGNRGESCI-UHFFFAOYSA-N 0 1 325.368 3.070 50 0 EGAAMN Cc1c[nH]c(C[N@H+]2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(C)c1=O ZINC000095353955 454195980 /nfs/dbraw/zinc/19/59/80/454195980.db2.gz GEAGSQUFYMWDOK-KRWDZBQOSA-N 0 1 340.423 3.070 50 0 EGAAMN O=C([O-])c1cccc([C@H]2CCC[N@@H+](Cc3cncn3C3CC3)C2)c1 ZINC000095363267 454196848 /nfs/dbraw/zinc/19/68/48/454196848.db2.gz XMWDQBMGIUYEQP-INIZCTEOSA-N 0 1 325.412 3.296 50 0 EGAAMN O=C(C1CCCCC1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 ZINC000095371215 454198308 /nfs/dbraw/zinc/19/83/08/454198308.db2.gz SZLSXBZXHHUPAQ-QFBILLFUSA-N 0 1 327.472 3.085 50 0 EGAAMN CC(C)C[N@@H+](C)[C@H](C(=O)[O-])c1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000095370082 454198440 /nfs/dbraw/zinc/19/84/40/454198440.db2.gz WSIXHLYEKKIVGG-SFHVURJKSA-N 0 1 346.471 3.272 50 0 EGAAMN c1nc2cc(-c3noc([C@@H](c4cccnc4)N4CCCC4)n3)ccc2[nH]1 ZINC000095388307 454200548 /nfs/dbraw/zinc/20/05/48/454200548.db2.gz FHRAXGJRZWRSKT-QGZVFWFLSA-N 0 1 346.394 3.193 50 0 EGAAMN Cc1csc(-c2cccc(CNC(=O)c3[nH]nc4c3CCC4)c2)n1 ZINC000095478176 454221194 /nfs/dbraw/zinc/22/11/94/454221194.db2.gz MZNWYZUNGTVXDI-UHFFFAOYSA-N 0 1 338.436 3.260 50 0 EGAAMN COc1cc2c(c(OC)c1)[C@H](c1cccs1)C1=C(COC1=O)N2 ZINC000063111224 454392353 /nfs/dbraw/zinc/39/23/53/454392353.db2.gz WDFXDRFTIICWSX-INIZCTEOSA-N 0 1 329.377 3.134 50 0 EGAAMN Cc1cc(C)n(CCNC(=O)c2ccc([C@@H](C)N3CCCCC3)o2)n1 ZINC000097527227 454438803 /nfs/dbraw/zinc/43/88/03/454438803.db2.gz NHEIYGZLDUSJIW-MRXNPFEDSA-N 0 1 344.459 3.070 50 0 EGAAMN C[C@@H]1CCCCN1C1CN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000091518870 454443289 /nfs/dbraw/zinc/44/32/89/454443289.db2.gz HLJKIMSYOXMYEQ-CYBMUJFWSA-N 0 1 329.419 3.138 50 0 EGAAMN CCc1ccc(C[N@@H+]2C[C@@H](c3ccccc3OC)[C@H](C(=O)[O-])C2)o1 ZINC000091644007 454454918 /nfs/dbraw/zinc/45/49/18/454454918.db2.gz GGRSYKFWAJCRCG-DLBZAZTESA-N 0 1 329.396 3.151 50 0 EGAAMN COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1F ZINC000091745247 454466268 /nfs/dbraw/zinc/46/62/68/454466268.db2.gz XZLBMGGBBUWFJY-JKSUJKDBSA-N 0 1 329.371 3.135 50 0 EGAAMN CCOc1ccc([C@@H](O)CN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000065255293 454545678 /nfs/dbraw/zinc/54/56/78/454545678.db2.gz AZGCCFJMPAKXCX-NRFANRHFSA-N 0 1 340.467 3.249 50 0 EGAAMN O=C(CN1CCCCCC1)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000219851001 456036770 /nfs/dbraw/zinc/03/67/70/456036770.db2.gz TWWQFESIRPNISU-FQEVSTJZSA-N 0 1 341.430 3.302 50 0 EGAAMN Cc1ccc2nc(CN(C)C(=O)NCCCC[C@H]3CCCO3)[nH]c2c1 ZINC000426410733 457825234 /nfs/dbraw/zinc/82/52/34/457825234.db2.gz QHZVQEGMHAYDDH-HNNXBMFYSA-N 0 1 344.459 3.362 50 0 EGAAMN Cc1nc([C@H]2CCCN2C(=O)Cc2coc3cc(C)cc(C)c23)n[nH]1 ZINC000426525866 457849699 /nfs/dbraw/zinc/84/96/99/457849699.db2.gz IPKPCCYAOZQQJD-OAHLLOKOSA-N 0 1 338.411 3.382 50 0 EGAAMN O=C([O-])Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000426552336 457854516 /nfs/dbraw/zinc/85/45/16/457854516.db2.gz MOLUINQQMWKTGX-LLVKDONJSA-N 0 1 339.848 3.062 50 0 EGAAMN CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000000075445 519876908 /nfs/dbraw/zinc/87/69/08/519876908.db2.gz PFSMHIIHQVOPBU-UHFFFAOYSA-N 0 1 329.366 3.196 50 0 EGAAMN CN(CCCOc1cccc(Cl)c1)CC(=O)NC1CCCCC1 ZINC000244641216 536359036 /nfs/dbraw/zinc/35/90/36/536359036.db2.gz GLOMPRBYZSSNSK-UHFFFAOYSA-N 0 1 338.879 3.490 50 0 EGAAMN COc1cccc(-c2ncc(CN3CCN(CC4CC4)CC3)s2)c1 ZINC000216058479 537070029 /nfs/dbraw/zinc/07/00/29/537070029.db2.gz DMYLDJTUVJGKNZ-UHFFFAOYSA-N 0 1 343.496 3.346 50 0 EGAAMN CC[C@@H](CO)N(Cc1ccc(-c2cc[nH]n2)s1)Cc1ccccn1 ZINC000055244521 546558093 /nfs/dbraw/zinc/55/80/93/546558093.db2.gz IKPLIUNWPGWJRV-HNNXBMFYSA-N 0 1 342.468 3.306 50 0 EGAAMN O=C(NCc1n[nH]c2c1CCCCC2)c1ccc(-c2cnco2)cc1 ZINC000670461401 548219159 /nfs/dbraw/zinc/21/91/59/548219159.db2.gz RUWODUMYYXOCCI-UHFFFAOYSA-N 0 1 336.395 3.264 50 0 EGAAMN Cc1ncc(C(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)[nH]1 ZINC000020913199 1291195517 /nfs/dbraw/zinc/19/55/17/1291195517.db2.gz GEHOUERAJXNGFD-OAHLLOKOSA-N 0 1 327.363 3.101 50 0 EGAAMN C[C@H](Oc1ccccc1C[N@@H+](C)C1Cc2ccccc2C1)C(=O)[O-] ZINC000828445610 1292463470 /nfs/dbraw/zinc/46/34/70/1292463470.db2.gz GMWUMNRJYXPRFO-AWEZNQCLSA-N 0 1 325.408 3.138 50 0 EGAAMN CC(C)NC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)C2CCCCC2)cc1 ZINC000952966528 1334626430 /nfs/dbraw/zinc/62/64/30/1334626430.db2.gz VICSPQAAABFTBV-OAHLLOKOSA-N 0 1 345.487 3.416 50 0 EGAAMN COc1cc(CN2CCN(Cc3ccccc3)CC2)cc(OC)c1 ZINC000019607081 202015055 /nfs/dbraw/zinc/01/50/55/202015055.db2.gz DVNRYRMKULNSTL-UHFFFAOYSA-N 0 1 326.440 3.022 50 0 EGAAMN C[C@@H](N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000020191848 202036036 /nfs/dbraw/zinc/03/60/36/202036036.db2.gz QTKBRVVITIGIOE-WBMJQRKESA-N 0 1 328.799 3.323 50 0 EGAAMN Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000020438180 202041387 /nfs/dbraw/zinc/04/13/87/202041387.db2.gz BMLGJLCTFKLNFU-NRFANRHFSA-N 0 1 349.478 3.328 50 0 EGAAMN c1cc(CN2CCC(n3cc(C4CC4)nn3)CC2)n(-c2ccccc2)n1 ZINC000023214884 202100120 /nfs/dbraw/zinc/10/01/20/202100120.db2.gz VPMUOMVJNFANON-UHFFFAOYSA-N 0 1 348.454 3.178 50 0 EGAAMN OCC[C@H]1CN(C/C=C/c2ccccc2)CCN1Cc1cccs1 ZINC000023358800 202102977 /nfs/dbraw/zinc/10/29/77/202102977.db2.gz PIWFYVRZNQCJGD-AMGQUURNSA-N 0 1 342.508 3.330 50 0 EGAAMN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2ccco2)n[nH]1 ZINC000030564837 202197279 /nfs/dbraw/zinc/19/72/79/202197279.db2.gz VXFIQNAVMACHDR-UHFFFAOYSA-N 0 1 337.364 3.441 50 0 EGAAMN O=C([O-])COc1ccccc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000072479775 304071552 /nfs/dbraw/zinc/07/15/52/304071552.db2.gz QAZOCWYAZDRUJH-AWEZNQCLSA-N 0 1 329.371 3.279 50 0 EGAAMN CC(C)c1nnc2n1C[C@@H](NCc1csc(-c3ccco3)n1)CC2 ZINC000097199433 201382627 /nfs/dbraw/zinc/38/26/27/201382627.db2.gz YEPIVGSCRUIQSY-LBPRGKRZSA-N 0 1 343.456 3.223 50 0 EGAAMN O=C(NCc1cccs1)NC[C@@H](c1ccsc1)N1CCCC1 ZINC000022679135 212315752 /nfs/dbraw/zinc/31/57/52/212315752.db2.gz UJLMONQNULWHKD-HNNXBMFYSA-N 0 1 335.498 3.446 50 0 EGAAMN Cc1n[nH]c(C2CCN(Cc3nn(C)c4cccc(Cl)c34)CC2)n1 ZINC000215859699 241149632 /nfs/dbraw/zinc/14/96/32/241149632.db2.gz JRPBRFLOMJXBDW-UHFFFAOYSA-N 0 1 344.850 3.033 50 0 EGAAMN O=C([O-])COc1ccccc1C[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000215452277 241124683 /nfs/dbraw/zinc/12/46/83/241124683.db2.gz VMBRUWQOVWKXSY-KRWDZBQOSA-N 0 1 326.396 3.272 50 0 EGAAMN Nc1nc(NCC2(c3ccc(Cl)cc3)CC2)cc([C@H]2C[C@@H](O)C2)n1 ZINC000244734964 243074395 /nfs/dbraw/zinc/07/43/95/243074395.db2.gz NQPVPNXEAUYEDU-VDISTLRHSA-N 0 1 344.846 3.094 50 0 EGAAMN Cc1nc(CC(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)cs1 ZINC000244774135 243079285 /nfs/dbraw/zinc/07/92/85/243079285.db2.gz POLOUBYSRHGCEN-KRWDZBQOSA-N 0 1 347.459 3.086 50 0 EGAAMN COCc1cccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000069521322 203013086 /nfs/dbraw/zinc/01/30/86/203013086.db2.gz FKQDVELDWWKJFY-GOSISDBHSA-N 0 1 342.439 3.301 50 0 EGAAMN Brc1cncc(N2CCN(Cc3ccccc3)CC2)c1 ZINC000071255625 203088894 /nfs/dbraw/zinc/08/88/94/203088894.db2.gz LJULJEIXEDMQCI-UHFFFAOYSA-N 0 1 332.245 3.166 50 0 EGAAMN 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1 325.456 3.484 50 0 EGAAMN O=C([O-])[C@@H]1C[N@@H+](Cc2cnc(C3CCCCC3)nc2)C[C@H]1C1CC1 ZINC000091325881 454428103 /nfs/dbraw/zinc/42/81/03/454428103.db2.gz PQGSOGDJCDNCBH-DLBZAZTESA-N 0 1 329.444 3.067 50 0 EGAAMN COc1cccc(N2CCN(C[C@@H](O)c3cc(C)ccc3C)CC2)c1 ZINC000065255290 454545610 /nfs/dbraw/zinc/54/56/10/454545610.db2.gz SALGTSUYJZBCIR-OAQYLSRUSA-N 0 1 340.467 3.168 50 0 EGAAMN Cc1ccsc1[C@@H]1CCN(Cc2cccc3c2OCO3)C[C@H]1O ZINC000065381397 454556756 /nfs/dbraw/zinc/55/67/56/454556756.db2.gz LVFSFUNNCRWNDB-HUUCEWRRSA-N 0 1 331.437 3.136 50 0 EGAAMN Cn1ccnc1CN1CC[C@@H](c2ccnc(-c3cccc(O)c3)c2)C1 ZINC000065382382 454558014 /nfs/dbraw/zinc/55/80/14/454558014.db2.gz DDWPQFWGQGYOFY-QGZVFWFLSA-N 0 1 334.423 3.177 50 0 EGAAMN Cc1ccsc1[C@@H]1CCN(Cc2cnn(C)c2C2CC2)C[C@H]1O ZINC000065407377 454561338 /nfs/dbraw/zinc/56/13/38/454561338.db2.gz GVIHJCKVOJXURW-HZPDHXFCSA-N 0 1 331.485 3.018 50 0 EGAAMN COCc1cc(CNC(=O)[C@@]2(c3ccccc3)CC23CCCC3)n[nH]1 ZINC000426360485 457810752 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CCCCN1CCN(C(=O)NC2(c3cc(F)ccc3F)CC2)CC1 ZINC000584894210 459819925 /nfs/dbraw/zinc/81/99/25/459819925.db2.gz UBFMOMYQQIOKQN-UHFFFAOYSA-N 0 1 337.414 3.081 50 0 EGAAMN COc1ccccc1CC(=O)N[C@@H]1CCCN(Cc2cccs2)C1 ZINC000824815241 1320288181 /nfs/dbraw/zinc/28/81/81/1320288181.db2.gz DPADRZDPFZCQNE-MRXNPFEDSA-N 0 1 344.480 3.080 50 0 EGAAMN Cc1cnccc1C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1 ZINC000825573702 1320347663 /nfs/dbraw/zinc/34/76/63/1320347663.db2.gz HZZVNKGLNAMRGN-UHFFFAOYSA-N 0 1 328.803 3.282 50 0 EGAAMN CC(C)C(=O)Nc1ccc(NC(=O)CN2C[C@@H]3CC[C@H]2C3)cc1Cl ZINC000952868925 1334583942 /nfs/dbraw/zinc/58/39/42/1334583942.db2.gz IXZSGNYFDPAYBB-OCCSQVGLSA-N 0 1 349.862 3.357 50 0 EGAAMN COc1cccc2c1OC[C@@H](NCc1cc(-c3ccccc3)no1)C2 ZINC000952966000 1334626407 /nfs/dbraw/zinc/62/64/07/1334626407.db2.gz HJBYCEIRVKGOSW-INIZCTEOSA-N 0 1 336.391 3.444 50 0 EGAAMN CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)[C@H]1CCOC(C)(C)C1 ZINC000952983082 1334629655 /nfs/dbraw/zinc/62/96/55/1334629655.db2.gz 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/nfs/dbraw/zinc/18/61/91/215186191.db2.gz QUWGSVZPNRWJCR-MRXNPFEDSA-N 0 1 347.462 3.329 50 0 EGAAMN Cc1cc(C(=O)N2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)n[nH]1 ZINC000067774314 215209272 /nfs/dbraw/zinc/20/92/72/215209272.db2.gz VSLPWQPDGSUAEG-INIZCTEOSA-N 0 1 349.438 3.436 50 0 EGAAMN Cc1cc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccc(C)cc3)C2)[nH]n1 ZINC000067774314 215209276 /nfs/dbraw/zinc/20/92/76/215209276.db2.gz VSLPWQPDGSUAEG-INIZCTEOSA-N 0 1 349.438 3.436 50 0 EGAAMN Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ccncn3)C2)cc1 ZINC000067804617 215215989 /nfs/dbraw/zinc/21/59/89/215215989.db2.gz BKKFTDGSPTVABS-INIZCTEOSA-N 0 1 347.422 3.195 50 0 EGAAMN CN(CCc1ccccn1)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067919910 215249829 /nfs/dbraw/zinc/24/98/29/215249829.db2.gz MXBRMIYSNYJNKP-UHFFFAOYSA-N 0 1 343.434 3.466 50 0 EGAAMN CCc1cn[nH]c1C1CCN(C(=O)c2cccc3nc(C)[nH]c32)CC1 ZINC000067966649 215262758 /nfs/dbraw/zinc/26/27/58/215262758.db2.gz GXUFBMGIVFUTIG-UHFFFAOYSA-N 0 1 337.427 3.177 50 0 EGAAMN CC(C)(C)c1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccco4)c32)[nH]n1 ZINC000067983500 215268391 /nfs/dbraw/zinc/26/83/91/215268391.db2.gz HPZNTRZEBPQMEC-VIFPVBQESA-N 0 1 325.372 3.164 50 0 EGAAMN COc1ccc(NS(=O)(=O)c2ccc(SC)cc2)c(OC)c1 ZINC000000582085 209672814 /nfs/dbraw/zinc/67/28/14/209672814.db2.gz JOGIFHWLWNVQNR-UHFFFAOYSA-N 0 1 339.438 3.227 50 0 EGAAMN Cc1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCc2ccccc2)cc1 ZINC000000044964 209387927 /nfs/dbraw/zinc/38/79/27/209387927.db2.gz QXNBTZKXKFDGQP-GOSISDBHSA-N 0 1 336.391 3.366 50 0 EGAAMN CC(C)c1cc(-c2nn3c(COc4ccccc4)nnc3s2)[nH]n1 ZINC000022504576 212301954 /nfs/dbraw/zinc/30/19/54/212301954.db2.gz VUOCDJRSNYTWSW-UHFFFAOYSA-N 0 1 340.412 3.278 50 0 EGAAMN CCOc1ccccc1OCCN1CCN(Cc2ccccc2)CC1 ZINC000022309707 212288923 /nfs/dbraw/zinc/28/89/23/212288923.db2.gz KSYMQVVONHTKIU-UHFFFAOYSA-N 0 1 340.467 3.282 50 0 EGAAMN Cc1ccc([C@@H](NC(=O)c2[nH]nc3c2CCC3)c2ccncc2)cc1 ZINC000215998489 241156838 /nfs/dbraw/zinc/15/68/38/241156838.db2.gz YRLRKLKQQWFMIL-GOSISDBHSA-N 0 1 332.407 3.121 50 0 EGAAMN CCOCc1cc(CN2CCC[C@@H](c3noc(C)n3)C2)ccc1OC ZINC000216083420 241163029 /nfs/dbraw/zinc/16/30/29/241163029.db2.gz JYGUZSSAXVQXFG-MRXNPFEDSA-N 0 1 345.443 3.303 50 0 EGAAMN CN(Cc1noc(C2CCCC2)n1)Cc1nc2ccc(F)cc2[nH]1 ZINC000244872845 243088250 /nfs/dbraw/zinc/08/82/50/243088250.db2.gz WFMHIJAVZIAPQZ-UHFFFAOYSA-N 0 1 329.379 3.375 50 0 EGAAMN Cc1ocnc1C(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000020351097 212121189 /nfs/dbraw/zinc/12/11/89/212121189.db2.gz PPBQHFWXUXEHDL-CQSZACIVSA-N 0 1 328.347 3.366 50 0 EGAAMN CCN1CCN(Cc2c(C)c(C)sc2NC(=O)c2ccco2)CC1 ZINC000020192523 212110084 /nfs/dbraw/zinc/11/00/84/212110084.db2.gz MPITYSRDOKCWRI-UHFFFAOYSA-N 0 1 347.484 3.348 50 0 EGAAMN COc1cccc([C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000049420891 214007027 /nfs/dbraw/zinc/00/70/27/214007027.db2.gz DQNOKUYLQNJXRI-IBGZPJMESA-N 0 1 346.858 3.204 50 0 EGAAMN COc1ccc(C(=O)[C@H]2CCCN(Cc3ccncc3)C2)cc1OC ZINC000012304575 211339068 /nfs/dbraw/zinc/33/90/68/211339068.db2.gz VBYWHUGFIOYQJB-KRWDZBQOSA-N 0 1 340.423 3.194 50 0 EGAAMN CCCCc1nc(C[N@@H+]2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)c[nH]1 ZINC000091492895 218013007 /nfs/dbraw/zinc/01/30/07/218013007.db2.gz KQMNKBCNCDBAQB-ZWKOTPCHSA-N 0 1 341.455 3.361 50 0 EGAAMN CCCCc1ncc(C[N@H+]2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)[nH]1 ZINC000091492895 218013010 /nfs/dbraw/zinc/01/30/10/218013010.db2.gz KQMNKBCNCDBAQB-ZWKOTPCHSA-N 0 1 341.455 3.361 50 0 EGAAMN CCCCc1ncc(C[N@@H+]2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)[nH]1 ZINC000091492895 218013011 /nfs/dbraw/zinc/01/30/11/218013011.db2.gz KQMNKBCNCDBAQB-ZWKOTPCHSA-N 0 1 341.455 3.361 50 0 EGAAMN COCC[C@]1(CO)CCCN(Cc2cnc(C3CCCCC3)nc2)C1 ZINC000091872382 218080553 /nfs/dbraw/zinc/08/05/53/218080553.db2.gz JRCSRFNNTJGFPQ-HXUWFJFHSA-N 0 1 347.503 3.135 50 0 EGAAMN COCC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000091943274 218092584 /nfs/dbraw/zinc/09/25/84/218092584.db2.gz ZYNBDNJEKHBUSX-FQEVSTJZSA-N 0 1 347.455 3.103 50 0 EGAAMN COc1ccc(CCC(=O)Nc2ccc3nc(C)[nH]c3c2)cc1OC ZINC000010895683 211194470 /nfs/dbraw/zinc/19/44/70/211194470.db2.gz OBYSROYUFMKCBE-UHFFFAOYSA-N 0 1 339.395 3.460 50 0 EGAAMN Oc1ccccc1-c1cc(-c2nc(-c3cn4ccccc4n3)no2)[nH]n1 ZINC000095367717 218300550 /nfs/dbraw/zinc/30/05/50/218300550.db2.gz CBVKNOSLBUEBBD-UHFFFAOYSA-N 0 1 344.334 3.147 50 0 EGAAMN Cc1nn(C(C)C)c(C)c1CN(C)C(=O)CCc1n[nH]c(C)c1C ZINC000097307419 219010543 /nfs/dbraw/zinc/01/05/43/219010543.db2.gz DFBCCOOUMWJMJK-UHFFFAOYSA-N 0 1 331.464 3.012 50 0 EGAAMN CO[C@]12CCN(Cc3csc(-c4ccccc4)n3)[C@H]1C[C@H](O)CC2 ZINC000299773533 258085289 /nfs/dbraw/zinc/08/52/89/258085289.db2.gz FDOSWKXANIXUHA-ZIFCJYIRSA-N 0 1 344.480 3.314 50 0 EGAAMN CC[C@@H](NC(=O)c1ccc(CN2CCCC2)o1)c1cccc(C)n1 ZINC000299789355 258095859 /nfs/dbraw/zinc/09/58/59/258095859.db2.gz XYPLRMHNVLDUBV-MRXNPFEDSA-N 0 1 327.428 3.460 50 0 EGAAMN CCc1nn(C)c(NC(=O)NCc2ccc3nc(C)[nH]c3c2)c1CC ZINC000299800783 258104166 /nfs/dbraw/zinc/10/41/66/258104166.db2.gz 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/nfs/dbraw/zinc/55/15/68/453551568.db2.gz PTSLBLHVKHROMK-UHFFFAOYSA-N 0 1 339.420 3.253 50 0 EGAAMN CCOC(=O)C(=Cc1cccs1)c1n[nH]c(-c2ccncc2)n1 ZINC000015085141 453556307 /nfs/dbraw/zinc/55/63/07/453556307.db2.gz WCKVDDJBYFZCHN-JLHYYAGUSA-N 0 1 326.381 3.032 50 0 EGAAMN Cc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1C ZINC000015831652 453586172 /nfs/dbraw/zinc/58/61/72/453586172.db2.gz WAWWGWRRDNRTFU-GOSISDBHSA-N 0 1 342.439 3.229 50 0 EGAAMN Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCCCC2)o1 ZINC000015860173 453587460 /nfs/dbraw/zinc/58/74/60/453587460.db2.gz BBIRCJRJKMHMFV-GOSISDBHSA-N 0 1 342.439 3.310 50 0 EGAAMN O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1ccc(Cl)cc1 ZINC000015913400 453588180 /nfs/dbraw/zinc/58/81/80/453588180.db2.gz XFBQWIQQPKAJMO-UHFFFAOYSA-N 0 1 345.815 3.251 50 0 EGAAMN COc1ccc(CN2CCN(Cc3cccc(C)c3)CC2)cc1OC ZINC000019235034 453655411 /nfs/dbraw/zinc/65/54/11/453655411.db2.gz BRJYZLXPENBMGI-UHFFFAOYSA-N 0 1 340.467 3.330 50 0 biogenic EGAAMN COc1cccc(CN2CCN(Cc3cccc(C)c3)CC2)c1OC 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O=C(CCCOc1ccccc1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000012128875 211299587 /nfs/dbraw/zinc/29/95/87/211299587.db2.gz AZZZJAMJXQZKIW-UHFFFAOYSA-N 0 1 341.386 3.220 50 0 EGAAMN COc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3cccnc3)n[nH]2)cc1 ZINC000091738485 218055997 /nfs/dbraw/zinc/05/59/97/218055997.db2.gz CDSNYLSLBFJOGT-CYBMUJFWSA-N 0 1 336.395 3.314 50 0 EGAAMN C[C@H](c1ccc(C(=O)NCC2(O)CCCCC2)o1)N1CCCCC1 ZINC000097602273 219039858 /nfs/dbraw/zinc/03/98/58/219039858.db2.gz KLJTWPNOEKHMEJ-OAHLLOKOSA-N 0 1 334.460 3.252 50 0 EGAAMN COc1ccc(CN2CC[C@](O)(c3ccccc3)C2)c(Cl)c1OC ZINC000097594806 219036905 /nfs/dbraw/zinc/03/69/05/219036905.db2.gz VFKNZPZQOFLBTQ-LJQANCHMSA-N 0 1 347.842 3.451 50 0 EGAAMN COCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(-c3ccco3)c2)C1 ZINC000299785939 258093257 /nfs/dbraw/zinc/09/32/57/258093257.db2.gz LCERMHNIMHUBKF-OAHLLOKOSA-N 0 1 343.427 3.036 50 0 EGAAMN Cc1n[nH]c2c1[C@@H](c1c(Cl)cccc1Cl)C1=C(COC1=O)N2 ZINC000020086452 258057339 /nfs/dbraw/zinc/05/73/39/258057339.db2.gz 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/nfs/dbraw/zinc/34/27/96/278342796.db2.gz NNQMEAWOYICRTD-SNVBAGLBSA-N 0 1 336.486 3.158 50 0 EGAAMN c1cc(-c2nc3c(c(N4CC[C@@H]5CCCC[C@@H]5C4)n2)CNC3)ccn1 ZINC000072153603 280465462 /nfs/dbraw/zinc/46/54/62/280465462.db2.gz OVEQEUMBKZTNMO-GOEBONIOSA-N 0 1 335.455 3.158 50 0 EGAAMN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3C(=O)N1CCc2nc[nH]c2C1 ZINC000095358428 281027381 /nfs/dbraw/zinc/02/73/81/281027381.db2.gz JZCSJGXNCPTDAO-CQSZACIVSA-N 0 1 334.423 3.204 50 0 EGAAMN COc1ccc(CN2CCCC[C@@H]2CCO)cc1Br ZINC000000209856 452537485 /nfs/dbraw/zinc/53/74/85/452537485.db2.gz MRTKNZJFLHZKJY-CYBMUJFWSA-N 0 1 328.250 3.195 50 0 EGAAMN COc1cc(NS(=O)(=O)Cc2ccccc2)c(OC)cc1Cl ZINC000000304089 452558938 /nfs/dbraw/zinc/55/89/38/452558938.db2.gz VZRCSIQTVNPVIT-UHFFFAOYSA-N 0 1 341.816 3.299 50 0 EGAAMN CCOc1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000000423497 452588106 /nfs/dbraw/zinc/58/81/06/452588106.db2.gz LFQVYZNHEYHGEB-UHFFFAOYSA-N 0 1 328.393 3.434 50 0 EGAAMN COc1cc(CNCc2cccnc2)cc(Br)c1OC ZINC000006703247 452973780 /nfs/dbraw/zinc/97/37/80/452973780.db2.gz UEWDQMQKKWBYJA-UHFFFAOYSA-N 0 1 337.217 3.151 50 0 EGAAMN CCOc1ccc(NS(=O)(=O)c2cc(CC)ccc2OC)cc1 ZINC000008132486 453167652 /nfs/dbraw/zinc/16/76/52/453167652.db2.gz KYCGOSLVECJOTH-UHFFFAOYSA-N 0 1 335.425 3.457 50 0 EGAAMN COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCCC2)cc1 ZINC000008613760 453219746 /nfs/dbraw/zinc/21/97/46/453219746.db2.gz XDFAKUAZYHDWTG-LJQANCHMSA-N 0 1 342.414 3.401 50 0 biogenic EGAAMN CSc1ccc(CNCc2cccnc2N2CCC[C@@H](O)C2)cc1 ZINC000012756291 453399349 /nfs/dbraw/zinc/39/93/49/453399349.db2.gz OLIAYUQAFNEYAI-QGZVFWFLSA-N 0 1 343.496 3.054 50 0 EGAAMN C[C@@H]1CN(CCCOc2ccccc2Br)C[C@H](C)O1 ZINC000016247527 453598567 /nfs/dbraw/zinc/59/85/67/453598567.db2.gz GWTQPPDNBSYBSA-BETUJISGSA-N 0 1 328.250 3.327 50 0 EGAAMN CCc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cs1 ZINC000020607226 453667519 /nfs/dbraw/zinc/66/75/19/453667519.db2.gz WOSTUYMVTYZGFH-UHFFFAOYSA-N 0 1 329.469 3.315 50 0 EGAAMN CC(C)Cc1n[nH]c2c1CN(Cc1ccc(-c3cc[nH]n3)o1)CC2 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COc1ccc(-c2cc(C(=O)Nc3ccccc3F)[nH]n2)c(OC)c1 ZINC000057477073 454132164 /nfs/dbraw/zinc/13/21/64/454132164.db2.gz FSJULLSLMIIMIV-UHFFFAOYSA-N 0 1 341.342 3.485 50 0 EGAAMN CC(=O)Nn1c(C)cc(CN2CCC[C@@H]2c2c(C)noc2C)c1C ZINC000071771506 454217193 /nfs/dbraw/zinc/21/71/93/454217193.db2.gz ATPJQLQRDFASGA-QGZVFWFLSA-N 0 1 330.432 3.137 50 0 EGAAMN CCc1noc(C)c1C(=O)NCCN1CCC[C@H](c2ccccc2)C1 ZINC000097137369 454414333 /nfs/dbraw/zinc/41/43/33/454414333.db2.gz QZEOQNLQLRZULX-KRWDZBQOSA-N 0 1 341.455 3.155 50 0 EGAAMN Cc1cccc2nc([C@H]3CCCN(C(=O)c4cnc(C)nc4C)C3)[nH]c21 ZINC000091321552 454427110 /nfs/dbraw/zinc/42/71/10/454427110.db2.gz LOCDCHWEOMWWEY-HNNXBMFYSA-N 0 1 349.438 3.298 50 0 EGAAMN CCN1CC2(CCC1=O)CCN(Cc1nc3ccc(C)cc3[nH]1)CC2 ZINC000091505514 454443112 /nfs/dbraw/zinc/44/31/12/454443112.db2.gz QYZBXGUTXGCCLR-UHFFFAOYSA-N 0 1 340.471 3.096 50 0 EGAAMN O=C(C[C@H]1CCc2ccccc21)NCCN1CCc2ccccc2C1 ZINC000091547440 454445011 /nfs/dbraw/zinc/44/50/11/454445011.db2.gz YLQSPNKUZJFAMH-LJQANCHMSA-N 0 1 334.463 3.281 50 0 EGAAMN COc1ccccc1N1CCN(C[C@H](O)c2ccc(C)cc2C)CC1 ZINC000065255249 454544497 /nfs/dbraw/zinc/54/44/97/454544497.db2.gz GUFAOWHRRONGHU-FQEVSTJZSA-N 0 1 340.467 3.168 50 0 EGAAMN Cc1cc(C[C@H](C)NC(=O)Cc2c(C)[nH]c3c2cc(C)cc3C)n[nH]1 ZINC000065404139 454560082 /nfs/dbraw/zinc/56/00/82/454560082.db2.gz GMLLEGQOKMKGEC-ZDUSSCGKSA-N 0 1 338.455 3.415 50 0 EGAAMN CC(=O)Nc1ccc(-c2ccc([C@@H](C)N3CCOCC3)cc2)cn1 ZINC000065466630 454571858 /nfs/dbraw/zinc/57/18/58/454571858.db2.gz MLDDASVKUZRXTM-CQSZACIVSA-N 0 1 325.412 3.100 50 0 EGAAMN Cc1n[nH]c(C)c1CN(C)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000252485135 455809855 /nfs/dbraw/zinc/80/98/55/455809855.db2.gz GNYRDNCQHWPCCK-LJQANCHMSA-N 0 1 340.471 3.040 50 0 EGAAMN C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000263569994 456171397 /nfs/dbraw/zinc/17/13/97/456171397.db2.gz HWAMZNWIUHWBJF-NPMABZOXSA-N 0 1 331.437 3.315 50 0 EGAAMN Cc1nc([C@@H](C)N(C)C(=O)NCc2cc(C3CC3)[nH]n2)c(C)s1 ZINC000426582788 457857035 /nfs/dbraw/zinc/85/70/35/457857035.db2.gz IBHUPHJCWZKLLL-SECBINFHSA-N 0 1 333.461 3.263 50 0 EGAAMN CCCC1(NC(=O)N(C)CCc2nc3ccc(OC)cc3[nH]2)CC1 ZINC000534579883 459335122 /nfs/dbraw/zinc/33/51/22/459335122.db2.gz ZFJPTUPZEKGHAI-UHFFFAOYSA-N 0 1 330.432 3.088 50 0 EGAAMN Cc1ccccc1CC1(NC(=O)c2ccccc2-c2nnc[nH]2)CC1 ZINC000534656700 459342570 /nfs/dbraw/zinc/34/25/70/459342570.db2.gz WGKOALHMLOCZOG-UHFFFAOYSA-N 0 1 332.407 3.285 50 0 EGAAMN O=C1[C@H](Cc2c[nH]c3ccccc23)N=C2c3ccccc3NC(=S)N12 ZINC000575615022 459985445 /nfs/dbraw/zinc/98/54/45/459985445.db2.gz DKVFDSHSFLGXDM-INIZCTEOSA-N 0 1 346.415 3.078 50 0 EGAAMN O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000000036673 526487527 /nfs/dbraw/zinc/48/75/27/526487527.db2.gz VRUACYYLBNMQIL-UHFFFAOYSA-N 0 1 343.858 3.491 50 0 EGAAMN CCN1CCN(CCOc2ccc(Br)cc2Cl)CC1 ZINC000230555344 564133468 /nfs/dbraw/zinc/13/34/68/564133468.db2.gz SZIYYVCBVZBUBH-UHFFFAOYSA-N 0 1 347.684 3.119 50 0 EGAAMN CC(C)(C)c1ccc(OCc2nc(CN3CCCCC3=O)n[nH]2)cc1 ZINC000828263847 1292449241 /nfs/dbraw/zinc/44/92/41/1292449241.db2.gz ZWOMJBYAVQIJOQ-UHFFFAOYSA-N 0 1 342.443 3.194 50 0 EGAAMN COCCN(Cc1c(C)nn(C)c1C)Cc1ccc2c(ccn2C)c1 ZINC000824405547 1320255133 /nfs/dbraw/zinc/25/51/33/1320255133.db2.gz YSKNHKPVLRSQPJ-UHFFFAOYSA-N 0 1 340.471 3.177 50 0 EGAAMN C[C@H](O)c1nc2ccc(NC(=O)c3cccc4cccnc43)cc2[nH]1 ZINC000952973658 1334627514 /nfs/dbraw/zinc/62/75/14/1334627514.db2.gz UXXFLPVXEWDQSO-NSHDSACASA-N 0 1 332.363 3.417 50 0 EGAAMN CC(C)Cc1cc(C(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)no1 ZINC000952977245 1334628651 /nfs/dbraw/zinc/62/86/51/1334628651.db2.gz PSMRYDKBFNGSGK-JTQLQIEISA-N 0 1 328.372 3.055 50 0 EGAAMN Cc1ncc(CN(CCO)Cc2ccc(OC3CCCC3)cc2)[nH]1 ZINC001704313863 1416439568 /nfs/dbraw/zinc/43/95/68/1416439568.db2.gz LNZCSQHMBBEBQH-UHFFFAOYSA-N 0 1 329.444 3.034 50 0 EGAAMN Cc1ccsc1C[N@@H+](Cc1cnc(C(=O)[O-])cn1)C1CCCC1 ZINC001772710862 1441417268 /nfs/dbraw/zinc/41/72/68/1441417268.db2.gz TZWWORGYTCHOHN-UHFFFAOYSA-N 0 1 331.441 3.490 50 0 EGAAMN CC(C)C[N@@H+](Cc1ccccn1)Cc1ccccc1OCC(=O)[O-] ZINC000055107755 957543402 /nfs/dbraw/zinc/54/34/02/957543402.db2.gz GISNNDILBRZDIG-UHFFFAOYSA-N 0 1 328.412 3.203 50 0 EGAAMN Cc1ccc(O)c(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)n1 ZINC000055088962 214270837 /nfs/dbraw/zinc/27/08/37/214270837.db2.gz JNNKHAOWXYXRSI-QGZVFWFLSA-N 0 1 330.403 3.416 50 0 EGAAMN Cc1ccc(OCC[N@H+](C)Cc2ccc(O)c(C(=O)[O-])c2)c(C)c1 ZINC000055368922 214313089 /nfs/dbraw/zinc/31/30/89/214313089.db2.gz JIWJNMNWNDBYHA-UHFFFAOYSA-N 0 1 329.396 3.218 50 0 EGAAMN C[C@H](NC(=O)c1cccc(NCc2ccc(F)cc2)c1)c1nnc[nH]1 ZINC000055414063 214322150 /nfs/dbraw/zinc/32/21/50/214322150.db2.gz UPOURENRKBDENV-LBPRGKRZSA-N 0 1 339.374 3.047 50 0 EGAAMN CCOc1ccc(Br)c([C@]2(O)C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000004339493 210174663 /nfs/dbraw/zinc/17/46/63/210174663.db2.gz KTZNNKANCYRNTA-MKBNYLNASA-N 0 1 342.277 3.396 50 0 EGAAMN N=C1Nc2nc3ccccc3n2[C@H](c2cccc(Br)c2)N1 ZINC000004149139 210132705 /nfs/dbraw/zinc/13/27/05/210132705.db2.gz 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