smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCOc1ccc(C2=[NH+]CCN2)c2ccccc12 ZINC000169322364 197740535 /nfs/dbraw/zinc/74/05/35/197740535.db2.gz QUOIVTYDTSRDLY-UHFFFAOYSA-N 1 0 310.441 4.539 10 30 DJEERO CCCCCCC[C@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000059090974 184134456 /nfs/dbraw/zinc/13/44/56/184134456.db2.gz OJTPRALWJOGJEB-AWEZNQCLSA-N 1 0 314.267 4.818 10 30 DJEERO CCCCC[NH+](CCCCC)CCOc1ccc(C#N)cc1 ZINC000584599003 337370615 /nfs/dbraw/zinc/37/06/15/337370615.db2.gz GFPCCHURPLYJBR-UHFFFAOYSA-N 1 0 302.462 4.619 10 30 DJEERO CCCCN(C=[NH+]c1nc2cc(Cl)ccc2[nH]1)CCCC ZINC000004123642 520337844 /nfs/dbraw/zinc/33/78/44/520337844.db2.gz QWAADZQWUFDKGU-LDADJPATSA-N 1 0 306.841 4.778 10 30 DJEERO C[N+](C)(Cc1ccc(-c2ccccc2C#N)cc1)C1CCCC1 ZINC000074181638 717134835 /nfs/dbraw/zinc/13/48/35/717134835.db2.gz FWUYXTDCIHTAQR-UHFFFAOYSA-N 1 0 305.445 4.744 10 30 DJEERO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 ZINC000162637698 332493618 /nfs/dbraw/zinc/49/36/18/332493618.db2.gz AXKNIECHMZZNTI-NSHDSACASA-N 1 0 305.208 4.716 10 30 DJEERO CC(C)c1csc([C@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)n1 ZINC000174875127 337145178 /nfs/dbraw/zinc/14/51/78/337145178.db2.gz VGURIFHCPXNMKE-HNNXBMFYSA-N 1 0 319.518 4.776 10 30 DJEERO CCCCCCCCCCCCOCCC[NH2+]CCS ZINC000584601583 337370937 /nfs/dbraw/zinc/37/09/37/337370937.db2.gz AGFPMUMDLSYEBG-UHFFFAOYSA-N 1 0 303.556 4.833 10 30 DJEERO C/C=C\C[N+]1(CC#Cc2cccc3ccccc23)CCCCC1 ZINC000005666528 717101246 /nfs/dbraw/zinc/10/12/46/717101246.db2.gz KGIWPXYHPFKLIU-IHWYPQMZSA-N 1 0 304.457 4.768 10 30 DJEERO C[N+](C)(CC(=O)c1ccc(C2CCCCC2)cc1)C1CCCC1 ZINC000057939929 717130980 /nfs/dbraw/zinc/13/09/80/717130980.db2.gz KXBXNWMSNJRBHF-UHFFFAOYSA-N 1 0 314.493 4.936 10 30 DJEERO C(=NNc1c2ccccc2[nH+]c2ccccc21)c1cccs1 ZINC000005338579 181231827 /nfs/dbraw/zinc/23/18/27/181231827.db2.gz DPDOVXPLIABEKD-XDHOZWIPSA-N 1 0 303.390 4.896 10 30 DJEERO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)c1ccc(C#N)cc1 ZINC000128954319 332016127 /nfs/dbraw/zinc/01/61/27/332016127.db2.gz WJQUOFRQUJRFCQ-KBXCAEBGSA-N 1 0 306.409 4.511 10 30 DJEERO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000160723739 333367802 /nfs/dbraw/zinc/36/78/02/333367802.db2.gz CMUUWXKNBANYGN-HNNXBMFYSA-N 1 0 313.470 4.763 10 30 DJEERO CCCCCCC[C@H](CCCC)OCCC[NH2+]CCS ZINC000584601642 337370976 /nfs/dbraw/zinc/37/09/76/337370976.db2.gz HCZUUWSGSXULIN-KRWDZBQOSA-N 1 0 303.556 4.832 10 30 DJEERO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccccc2Cl)oc1C ZINC000012587400 518598861 /nfs/dbraw/zinc/59/88/61/518598861.db2.gz DULBCPRKHUIFRQ-UHFFFAOYSA-N 1 0 304.821 4.701 10 30 DJEERO CCC[N+](/C=C\C(=O)c1ccc(CC)cc1)(CCC)CCC ZINC000033373988 717121011 /nfs/dbraw/zinc/12/10/11/717121011.db2.gz HXMMTPYBMDQDBN-LGMDPLHJSA-N 1 0 302.482 4.992 10 30 DJEERO CCC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000004375753 181104121 /nfs/dbraw/zinc/10/41/21/181104121.db2.gz UWBQKEUMMHOFLM-MUQXEELRSA-N 1 0 308.425 4.709 10 30 DJEERO CN(C)c1ccc(/C=[NH+]\N(c2ccccc2)c2ccccc2)cc1 ZINC000004520989 181119340 /nfs/dbraw/zinc/11/93/40/181119340.db2.gz YTJZGOONVHNAQC-XLNRJJMWSA-N 1 0 315.420 4.925 10 30 DJEERO C=CCc1cc(C[NH2+]CCCCCCC)cc(OC)c1OCC ZINC000103593489 256576583 /nfs/dbraw/zinc/57/65/83/256576583.db2.gz ZTCGBIILKGMFTQ-UHFFFAOYSA-N 1 0 319.489 4.882 10 30 DJEERO CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cccs1 ZINC000236948278 332252230 /nfs/dbraw/zinc/25/22/30/332252230.db2.gz RREUJWKUJQLIHT-KRWDZBQOSA-N 1 0 314.454 4.672 10 30 DJEERO C[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccc(C#N)s1 ZINC000183349922 337191455 /nfs/dbraw/zinc/19/14/55/337191455.db2.gz LIEJANRZWDYPDT-CQSZACIVSA-N 1 0 319.433 4.533 10 30 DJEERO Cc1ccc(C2(C#N)CCC([NH2+]Cc3ccccc3)CC2)cc1F ZINC000584600599 337370827 /nfs/dbraw/zinc/37/08/27/337370827.db2.gz PPNZRZZSXFVDQK-UHFFFAOYSA-N 1 0 322.427 4.628 10 30 DJEERO C=CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875138 518952523 /nfs/dbraw/zinc/95/25/23/518952523.db2.gz VTPHIJSLWLOXRL-UHFFFAOYSA-N 1 0 301.817 4.503 10 30 DJEERO CC(C)[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000100398688 563550497 /nfs/dbraw/zinc/55/04/97/563550497.db2.gz XLYIKINYBVURBX-MCAVJPGKSA-N 1 0 308.425 4.565 10 30 DJEERO CCC[C@H]1/C(=N\O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000105392514 256581200 /nfs/dbraw/zinc/58/12/00/256581200.db2.gz UWBQKEUMMHOFLM-APFGANQCSA-N 1 0 308.425 4.709 10 30 DJEERO CCCCCCCC[NH2+]Cc1cc(Br)cs1 ZINC000105807631 256581804 /nfs/dbraw/zinc/58/18/04/256581804.db2.gz XTNOURMLCGPGEQ-UHFFFAOYSA-N 1 0 304.297 4.961 10 30 DJEERO CCC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000100398702 563550441 /nfs/dbraw/zinc/55/04/41/563550441.db2.gz UWBQKEUMMHOFLM-WVUGOTMXSA-N 1 0 308.425 4.709 10 30 DJEERO C=CC[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1[C@H](CO)c1ccccc1 ZINC000005480655 181248661 /nfs/dbraw/zinc/24/86/61/181248661.db2.gz COQIVGFVEFTPTM-QHAWAJNXSA-N 1 0 307.437 4.502 10 30 DJEERO C[NH2+]CC[C@@H](Oc1cccc2sc(C#N)cc21)c1ccccc1 ZINC000028361463 182521498 /nfs/dbraw/zinc/52/14/98/182521498.db2.gz GTRHSBRKJIROQO-QGZVFWFLSA-N 1 0 322.433 4.503 10 30 DJEERO CCCCCCC[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000059090975 184134399 /nfs/dbraw/zinc/13/43/99/184134399.db2.gz OJTPRALWJOGJEB-CQSZACIVSA-N 1 0 314.267 4.818 10 30 DJEERO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000181638498 333170896 /nfs/dbraw/zinc/17/08/96/333170896.db2.gz UMXYMBFTPVCQQL-CYBMUJFWSA-N 1 0 314.379 4.617 10 30 DJEERO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000160723583 333367829 /nfs/dbraw/zinc/36/78/29/333367829.db2.gz CMUUWXKNBANYGN-OAHLLOKOSA-N 1 0 313.470 4.763 10 30 DJEERO CC(C)CC[C@](C#N)(CC[NH+](C(C)C)C(C)C)c1ccccn1 ZINC000584628929 337376396 /nfs/dbraw/zinc/37/63/96/337376396.db2.gz ZNORAWVQBACXNC-HXUWFJFHSA-N 1 0 315.505 4.788 10 30 DJEERO CC(C)CC[C@@](C#N)(CC[NH+](C(C)C)C(C)C)c1ccccn1 ZINC000584628928 337376425 /nfs/dbraw/zinc/37/64/25/337376425.db2.gz ZNORAWVQBACXNC-FQEVSTJZSA-N 1 0 315.505 4.788 10 30 DJEERO CCCCCCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000104465382 563564471 /nfs/dbraw/zinc/56/44/71/563564471.db2.gz YUHZSARGSFXWAQ-UHFFFAOYSA-N 1 0 314.267 4.518 10 30 DJEERO Cc1cc(/C=C2\C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)ccc1[N+](C)(C)C ZINC000084403491 717135864 /nfs/dbraw/zinc/13/58/64/717135864.db2.gz PIQZAZWTLJXHDL-VCRGWNTBSA-N 1 0 312.477 4.600 10 30 DJEERO C[C@@H](C[NH+]1CCCCC1)C(C#N)(c1ccccc1)c1ccccc1 ZINC000005735115 181278546 /nfs/dbraw/zinc/27/85/46/181278546.db2.gz HGKFSYSKZCQWHP-IBGZPJMESA-N 1 0 318.464 4.618 10 30 DJEERO [NH2+]=C(Nc1ccc(Br)cc1Cl)C1CCCCC1 ZINC000062990013 184264981 /nfs/dbraw/zinc/26/49/81/184264981.db2.gz XNWYTUCMXFIOJJ-UHFFFAOYSA-N 1 0 315.642 4.672 10 30 DJEERO CC(C)[NH+](CC[C@@H](C#N)c1ccccc1Br)C(C)C ZINC000584594483 337373782 /nfs/dbraw/zinc/37/37/82/337373782.db2.gz IGMNCJUNXPEAGH-AWEZNQCLSA-N 1 0 323.278 4.565 10 30 DJEERO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1Br ZINC000235506833 340660223 /nfs/dbraw/zinc/66/02/23/340660223.db2.gz VGENSRLJMUJCGF-ZDUSSCGKSA-N 1 0 323.278 4.820 10 30 DJEERO N#Cc1csc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000131305153 341075004 /nfs/dbraw/zinc/07/50/04/341075004.db2.gz PMTTWXCORGVKQF-KRWDZBQOSA-N 1 0 324.449 4.546 10 30 DJEERO CCCCC[C@](C#N)(CC[NH+](C(C)C)C(C)C)c1ccccn1 ZINC000584628543 337376287 /nfs/dbraw/zinc/37/62/87/337376287.db2.gz LOVBQJWJSYFMBW-HXUWFJFHSA-N 1 0 315.505 4.932 10 30 DJEERO N#Cc1csc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000131304924 341074934 /nfs/dbraw/zinc/07/49/34/341074934.db2.gz PMTTWXCORGVKQF-QGZVFWFLSA-N 1 0 324.449 4.546 10 30 DJEERO C=CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428177 563751356 /nfs/dbraw/zinc/75/13/56/563751356.db2.gz WJIUJQIHHJPQOE-UHFFFAOYSA-N 1 0 322.235 4.848 10 30 DJEERO CCCCCCCCCCCCOC[N+](CC)(CC)CCO ZINC000101674261 717145132 /nfs/dbraw/zinc/14/51/32/717145132.db2.gz ZKVHMFNTHNHQKN-UHFFFAOYSA-N 1 0 316.550 4.730 10 30 DJEERO CC(C)[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000004936366 181175232 /nfs/dbraw/zinc/17/52/32/181175232.db2.gz XLYIKINYBVURBX-PCYBQRIZSA-N 1 0 308.425 4.565 10 30 DJEERO CCCCCCCCc1ccc([C@H]2CC[C@]([NH3+])(CO)C2)cc1 ZINC000043131951 183339725 /nfs/dbraw/zinc/33/97/25/183339725.db2.gz BLASFTPNKGQBNF-VQTJNVASSA-N 1 0 303.490 4.547 10 30 DJEERO CCCCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCC ZINC000104208191 257272982 /nfs/dbraw/zinc/27/29/82/257272982.db2.gz WDUYEXXROCCGJH-UHFFFAOYSA-N 1 0 313.869 4.807 10 30 DJEERO CCCCCCCCCC[N@@H+]1CCC[C@H](C(=O)N(CC)CC)C1 ZINC000042988492 183326073 /nfs/dbraw/zinc/32/60/73/183326073.db2.gz QHDWRYQSNODWBJ-IBGZPJMESA-N 1 0 324.553 4.708 10 30 DJEERO CCCCCCC[C@@H](CCCC)OCCC[NH2+]CCS ZINC000584601643 337370884 /nfs/dbraw/zinc/37/08/84/337370884.db2.gz HCZUUWSGSXULIN-QGZVFWFLSA-N 1 0 303.556 4.832 10 30 DJEERO CC(C)[NH+](CC[C@H](C#N)c1ccccc1Br)C(C)C ZINC000584594488 337373786 /nfs/dbraw/zinc/37/37/86/337373786.db2.gz IGMNCJUNXPEAGH-CQSZACIVSA-N 1 0 323.278 4.565 10 30 DJEERO CCC(CC)[C@@](C#N)(CC[NH+](C(C)C)C(C)C)c1ccccn1 ZINC000584628837 337376420 /nfs/dbraw/zinc/37/64/20/337376420.db2.gz USKSKCOQIOOSLK-FQEVSTJZSA-N 1 0 315.505 4.788 10 30 DJEERO CCC(CC)[C@](C#N)(CC[NH+](C(C)C)C(C)C)c1ccccn1 ZINC000584628838 337376434 /nfs/dbraw/zinc/37/64/34/337376434.db2.gz USKSKCOQIOOSLK-HXUWFJFHSA-N 1 0 315.505 4.788 10 30 DJEERO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1Br ZINC000235193297 340657419 /nfs/dbraw/zinc/65/74/19/340657419.db2.gz VGENSRLJMUJCGF-CYBMUJFWSA-N 1 0 323.278 4.820 10 30 DJEERO CC(C)(CCC#N)C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131296485 341074374 /nfs/dbraw/zinc/07/43/74/341074374.db2.gz YOHJHDSRLLZEJI-QGZVFWFLSA-N 1 0 312.457 4.743 10 30 DJEERO CCCCCCCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000102552138 563559270 /nfs/dbraw/zinc/55/92/70/563559270.db2.gz IJHIUNKXQYPNAD-UHFFFAOYSA-N 1 0 313.445 4.719 10 30 DJEERO CCCCCCCCCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC)C1 ZINC000042988494 183326371 /nfs/dbraw/zinc/32/63/71/183326371.db2.gz QHDWRYQSNODWBJ-LJQANCHMSA-N 1 0 324.553 4.708 10 30 DJEERO [NH2+]=C(Nc1cc(Br)ccc1Cl)C1CCCCC1 ZINC000062987947 184264731 /nfs/dbraw/zinc/26/47/31/184264731.db2.gz KXQONXTYVFRNCM-UHFFFAOYSA-N 1 0 315.642 4.672 10 30 DJEERO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)c1ccc(C#N)cc1 ZINC000128954540 332016036 /nfs/dbraw/zinc/01/60/36/332016036.db2.gz WJQUOFRQUJRFCQ-RDTXWAMCSA-N 1 0 306.409 4.511 10 30 DJEERO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)c1ccc(C#N)cc1 ZINC000128954776 332016155 /nfs/dbraw/zinc/01/61/55/332016155.db2.gz WJQUOFRQUJRFCQ-KSSFIOAISA-N 1 0 306.409 4.511 10 30 DJEERO CCCCCCCCCCCCCCC[NH+]1CCN(N)CC1 ZINC000038153848 337379251 /nfs/dbraw/zinc/37/92/51/337379251.db2.gz PWUYKMFFUGBHCP-UHFFFAOYSA-N 1 0 311.558 4.569 10 30 DJEERO CC[C@H]1C(=NO)[C@H](CC)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000169297564 563646422 /nfs/dbraw/zinc/64/64/22/563646422.db2.gz CKEIFXSNZGOKPW-UAFMIMERSA-N 1 0 322.452 4.955 10 30 DJEERO C=CCOc1ccc(C[NH2+]CCC2=CCCCC2)cc1OCC ZINC000013723707 563839414 /nfs/dbraw/zinc/83/94/14/563839414.db2.gz DFESSPLRDQDRKI-UHFFFAOYSA-N 1 0 315.457 4.630 10 30 DJEERO Cc1cc(/C=C2\C(=O)[C@]3(C)CC[C@H]2C3(C)C)ccc1[N+](C)(C)C ZINC000084403490 717135714 /nfs/dbraw/zinc/13/57/14/717135714.db2.gz PIQZAZWTLJXHDL-OIWKVIMASA-N 1 0 312.477 4.600 10 30 DJEERO N#Cc1ccc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)s1 ZINC000131279970 337437060 /nfs/dbraw/zinc/43/70/60/337437060.db2.gz HHVWNXBRNDJGFU-QGZVFWFLSA-N 1 0 324.449 4.546 10 30 DJEERO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(Br)c1 ZINC000235193109 340657503 /nfs/dbraw/zinc/65/75/03/340657503.db2.gz AHASEKOMPZINAT-CYBMUJFWSA-N 1 0 323.278 4.820 10 30 DJEERO CCCCCCCC[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000100048771 563545482 /nfs/dbraw/zinc/54/54/82/563545482.db2.gz BHQDXGVYNTXQQK-UHFFFAOYSA-N 1 0 307.478 4.933 10 30 DJEERO CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cccs1 ZINC000237017743 332283524 /nfs/dbraw/zinc/28/35/24/332283524.db2.gz RREUJWKUJQLIHT-QGZVFWFLSA-N 1 0 314.454 4.672 10 30 DJEERO CCN1c2ccccc2C(C)(C)/C1=[NH+]/c1ccc(N(C)C)cc1 ZINC000109025342 563568297 /nfs/dbraw/zinc/56/82/97/563568297.db2.gz WGMMFOKPXNHNFN-VZCXRCSSSA-N 1 0 307.441 4.600 10 30 DJEERO C[C@H](C[NH+]1CCCCC1)C(C#N)(c1ccccc1)c1ccccc1 ZINC000005751376 181280973 /nfs/dbraw/zinc/28/09/73/181280973.db2.gz HGKFSYSKZCQWHP-LJQANCHMSA-N 1 0 318.464 4.618 10 30 DJEERO CC(C)c1csc([C@@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)n1 ZINC000174875116 337145094 /nfs/dbraw/zinc/14/50/94/337145094.db2.gz VGURIFHCPXNMKE-OAHLLOKOSA-N 1 0 319.518 4.776 10 30 DJEERO C[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccc(C#N)s1 ZINC000183349897 337191489 /nfs/dbraw/zinc/19/14/89/337191489.db2.gz LIEJANRZWDYPDT-AWEZNQCLSA-N 1 0 319.433 4.533 10 30 DJEERO CC(C)(CCC#N)C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131296725 341074403 /nfs/dbraw/zinc/07/44/03/341074403.db2.gz YOHJHDSRLLZEJI-KRWDZBQOSA-N 1 0 312.457 4.743 10 30 DJEERO CCCCCCCCC(=O)OCC[N+](C)(C)Cc1ccccc1 ZINC000100033875 717141873 /nfs/dbraw/zinc/14/18/73/717141873.db2.gz KGLGSUMGJKIPHA-UHFFFAOYSA-N 1 0 320.497 4.557 10 30 DJEERO N#CC(CC[NH+]1CCCCCC1)(c1ccccc1)c1ccccc1 ZINC000038635664 183005351 /nfs/dbraw/zinc/00/53/51/183005351.db2.gz UMKKQZRFTGQLJE-UHFFFAOYSA-N 1 0 318.464 4.762 10 30 DJEERO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)c1ccc(C#N)cc1 ZINC000128955000 332016053 /nfs/dbraw/zinc/01/60/53/332016053.db2.gz WJQUOFRQUJRFCQ-KDOFPFPSSA-N 1 0 306.409 4.511 10 30 DJEERO CCCCC[C@@](C#N)(CC[NH+](C(C)C)C(C)C)c1ccccn1 ZINC000584628538 337376328 /nfs/dbraw/zinc/37/63/28/337376328.db2.gz LOVBQJWJSYFMBW-FQEVSTJZSA-N 1 0 315.505 4.932 10 30 DJEERO CCCCCCC[NH2+]Cc1ccc(OCCC)c(OCC)c1 ZINC000104468462 563564967 /nfs/dbraw/zinc/56/49/67/563564967.db2.gz WJPIHLZVVONKGG-UHFFFAOYSA-N 1 0 307.478 4.934 10 30 DJEERO CCCCCCCOc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000035949545 581095348 /nfs/dbraw/zinc/09/53/48/581095348.db2.gz HREPIZMYDARKAH-UHFFFAOYSA-N 1 0 305.462 4.510 10 30 DJEERO CCCCCCCC[NH2+]Cc1ccc(OCCC)c(OC)c1 ZINC000100048759 563545514 /nfs/dbraw/zinc/54/55/14/563545514.db2.gz GKDYJIGQEGJUDO-UHFFFAOYSA-N 1 0 307.478 4.934 10 30 DJEERO CCCCCCCCOC[N+](C)(C)c1ccc2nsnc2c1 ZINC000001852178 717090660 /nfs/dbraw/zinc/09/06/60/717090660.db2.gz DTUONCAOKOFFPK-UHFFFAOYSA-N 1 0 322.498 4.593 10 30 DJEERO