smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC[C@@H]2[C@@H](C1)c1cccc3c1N2c1ccccc1CS3 ZINC000140512435 186026991 /nfs/dbraw/zinc/02/69/91/186026991.db2.gz YVENIGOVHPMTDH-DOTOQJQBSA-N 1 1 308.450 4.232 1 0 DIAFMO C[N@H+]1CC[C@@H]2[C@@H](C1)c1cccc3c1N2c1ccccc1CS3 ZINC000140512435 186026993 /nfs/dbraw/zinc/02/69/93/186026993.db2.gz YVENIGOVHPMTDH-DOTOQJQBSA-N 1 1 308.450 4.232 1 0 DIAFMO Cc1cn(Cc2coc(-c3cccc4ccccc43)n2)c(C)[nH+]1 ZINC000072184184 191071929 /nfs/dbraw/zinc/07/19/29/191071929.db2.gz RWLLEHLSENKQBV-UHFFFAOYSA-N 1 1 303.365 4.356 1 0 DIAFMO Fc1cccc(-c2nc(C[NH2+][C@H]3CCc4ccccc43)co2)c1 ZINC000072185588 191073066 /nfs/dbraw/zinc/07/30/66/191073066.db2.gz HOEUWVFUYICHDB-SFHVURJKSA-N 1 1 308.356 4.258 1 0 DIAFMO C[C@@H]1Cc2c3ccccc3[nH]c2Cc2ccccc2CC[N@H+]1C ZINC000073198604 191291354 /nfs/dbraw/zinc/29/13/54/191291354.db2.gz WQPRXYGVHKQNOH-OAHLLOKOSA-N 1 1 304.437 4.178 1 0 DIAFMO C[N@@H+]1[C@@H]2CC[C@H]1CC(O[C@@H](c1ccccc1)c1ccccc1N)C2 ZINC000003871516 181050549 /nfs/dbraw/zinc/05/05/49/181050549.db2.gz KZFDKINRISJFCO-APZTZJSISA-N 1 1 322.452 4.000 3 0 in-vitro DIAFMO C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2Cc1ccccc1 ZINC000006031889 181307188 /nfs/dbraw/zinc/30/71/88/181307188.db2.gz RPMPAQXGZYLEST-IPHXSNPTSA-N 1 1 307.437 4.117 1 0 DIAFMO CNC1=[NH+]c2ncccc2C(C2CCCC2)=N[C@H]1c1cccs1 ZINC000040404787 183062267 /nfs/dbraw/zinc/06/22/67/183062267.db2.gz QUTZZTQEHSJLRN-INIZCTEOSA-N 1 1 324.453 4.127 1 0 DIAFMO C[C@H]1CCC[C@]23CC[N@@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13 ZINC000040461426 183070656 /nfs/dbraw/zinc/07/06/56/183070656.db2.gz UBRYDTCPLSXNKT-MGNXDGSBSA-N 1 1 311.469 4.107 1 0 DIAFMO CC[C@H]1[C@H](C)CC[C@]23CC[N@@H+](C)[C@H](Cc4ccc(OC)cc42)[C@@H]13 ZINC000040709452 183120764 /nfs/dbraw/zinc/12/07/64/183120764.db2.gz WUTXTDJQZMUNAE-FHBRLQHDSA-N 1 1 313.485 4.266 1 0 DIAFMO CC(C)(C)c1ccc(CCNc2nc[nH+]c3cc(N)ccc32)cc1 ZINC000042922296 183318496 /nfs/dbraw/zinc/31/84/96/183318496.db2.gz MGTDSTHCGUHQPV-UHFFFAOYSA-N 1 1 320.440 4.164 1 0 DIAFMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2/C=C/c1ccccc1 ZINC000058502030 184120775 /nfs/dbraw/zinc/12/07/75/184120775.db2.gz LBGASCXEDHLYEH-KAWBUVPWSA-N 1 1 304.437 4.274 1 0 DIAFMO CC(C)[N@H+]1CC[C@@](C)(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000061905736 184193937 /nfs/dbraw/zinc/19/39/37/184193937.db2.gz BFQXKMARNDQZRP-OAHLLOKOSA-N 1 1 315.244 4.052 3 0 DIAFMO CSc1ccc(C[N@H+]2CC[C@@](C)(Oc3ccccc3)C2)cc1 ZINC000061925687 184195681 /nfs/dbraw/zinc/19/56/81/184195681.db2.gz BVXODFZMSNMCCZ-LJQANCHMSA-N 1 1 313.466 4.452 3 0 DIAFMO Nc1[nH]c(-c2cc(F)cc(F)c2)c(-c2ccc(Cl)cc2)[nH+]1 ZINC000066112249 184390469 /nfs/dbraw/zinc/39/04/69/184390469.db2.gz JVXQQSHNIIPJOK-UHFFFAOYSA-N 1 1 305.715 4.258 1 0 DIAFMO CCC[N@H+]1C[C@H](c2ccccc2)O[C@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000026828493 581094232 /nfs/dbraw/zinc/09/42/32/581094232.db2.gz IXUNXYUOXOHHSI-HBMCJLEFSA-N 1 1 323.436 4.232 1 0 DIAFMO CCC[N@@H+](CCc1cccs1)[C@H]1CCc2ccc(O)cc2C1 ZINC000013759817 581094237 /nfs/dbraw/zinc/09/42/37/581094237.db2.gz FKPNKWMJMHRBGE-KRWDZBQOSA-N 1 1 315.482 4.266 1 0 DIAFMO CCC[N@H+]1C[C@H](c2ccccc2)O[C@@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000169357871 581094299 /nfs/dbraw/zinc/09/42/99/581094299.db2.gz IXUNXYUOXOHHSI-PWRODBHTSA-N 1 1 323.436 4.232 1 0 DIAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC000103267917 185443067 /nfs/dbraw/zinc/44/30/67/185443067.db2.gz TVHYKAAFLUFNOM-ZSXPUABSSA-N 1 1 323.436 4.123 1 0 DIAFMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000005008148 181189730 /nfs/dbraw/zinc/18/97/30/181189730.db2.gz BIWOHGQOCMGKSL-FDFHNCONSA-N 1 1 321.464 4.339 1 0 DIAFMO COc1cc2c(c(OC)c1)C[N@@H+](Cc1ccccc1)C(C)(C)C2 ZINC000038690848 183006199 /nfs/dbraw/zinc/00/61/99/183006199.db2.gz QOXMWGCWWYHZNW-UHFFFAOYSA-N 1 1 311.425 4.041 1 0 DIAFMO CNC1=[NH+]c2ncccc2C(C2CCCC2)=N[C@@H]1c1cccs1 ZINC000040404784 183061991 /nfs/dbraw/zinc/06/19/91/183061991.db2.gz QUTZZTQEHSJLRN-MRXNPFEDSA-N 1 1 324.453 4.127 1 0 DIAFMO CCC[C@H]1CCC[C@]23CC[N@@H+](C)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000040461349 183071217 /nfs/dbraw/zinc/07/12/17/183071217.db2.gz VKBJNKLLZGIUAS-ZFCZOSEKSA-N 1 1 313.485 4.410 1 0 DIAFMO c1ccc(CNc2c(-c3ccncc3)[nH+]c3ccccn32)cc1 ZINC000095575826 185380454 /nfs/dbraw/zinc/38/04/54/185380454.db2.gz DBMMAJVBVFDKJX-UHFFFAOYSA-N 1 1 300.365 4.008 1 0 DIAFMO C[C@H]1Cc2c3ccccc3[nH]c2Cc2ccccc2CC[N@H+]1C ZINC000082152216 192361966 /nfs/dbraw/zinc/36/19/66/192361966.db2.gz WQPRXYGVHKQNOH-HNNXBMFYSA-N 1 1 304.437 4.178 1 0 DIAFMO C[NH2+]CCN1C(C)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000072126081 191041709 /nfs/dbraw/zinc/04/17/09/191041709.db2.gz LMXLEVNEIVIVJL-GOSISDBHSA-N 1 1 313.832 4.014 1 0 DIAFMO CC[N@H+]1CC[C@H]2[C@H](c3ccc(CO)cc3)c3cc(C)ccc3[C@H]2C1 ZINC000003810800 181045919 /nfs/dbraw/zinc/04/59/19/181045919.db2.gz SMZNQAICVZUHGF-FCEUIQTBSA-N 1 1 321.464 4.058 1 0 DIAFMO CCCCC[N@H+]1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1 ZINC000042919963 183318612 /nfs/dbraw/zinc/31/86/12/183318612.db2.gz DTQNPORUQDMPPM-UHFFFAOYSA-N 1 1 303.494 4.139 1 0 DIAFMO Cc1ccccc1CN[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C ZINC000066073760 184387010 /nfs/dbraw/zinc/38/70/10/184387010.db2.gz NXRJGLFADZCXRK-SZPZYZBQSA-N 1 1 322.496 4.494 1 0 DIAFMO CCC[N@H+]1C[C@H](c2ccccc2)O[C@@H]2c3cc(O)ccc3CC[C@H]21 ZINC000013474738 581094282 /nfs/dbraw/zinc/09/42/82/581094282.db2.gz IXUNXYUOXOHHSI-NJDAHSKKSA-N 1 1 323.436 4.232 1 0 DIAFMO CNc1ccc2[nH]c3c[nH+]c(NCc4ccccc4)cc3c2c1 ZINC000095557018 185379591 /nfs/dbraw/zinc/37/95/91/185379591.db2.gz LYZCACIIFLCCJJ-UHFFFAOYSA-N 1 1 302.381 4.370 1 0 DIAFMO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000096927496 185391902 /nfs/dbraw/zinc/39/19/02/185391902.db2.gz QEBPBJVUTHULEZ-INIZCTEOSA-N 1 1 306.837 4.076 1 0 DIAFMO CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc3ccccc3c1)[N@H+]2C ZINC000013736170 190638732 /nfs/dbraw/zinc/63/87/32/190638732.db2.gz WJVLEIDMFWNIAA-PXCRPINLSA-N 1 1 307.437 4.385 1 0 DIAFMO CCc1[nH+]ccn1Cc1coc(-c2cccc3ccccc32)n1 ZINC000072101311 191037075 /nfs/dbraw/zinc/03/70/75/191037075.db2.gz DBRLBSFOMXXBET-UHFFFAOYSA-N 1 1 303.365 4.302 1 0 DIAFMO Cc1ccc(-c2nc(C[NH2+][C@@H]3CCc4ccccc43)co2)cc1 ZINC000072180545 191072182 /nfs/dbraw/zinc/07/21/82/191072182.db2.gz GNLBPFVALZPZOM-LJQANCHMSA-N 1 1 304.393 4.427 1 0 DIAFMO C[C@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CC[N@H+](C)C[C@H]12 ZINC000073167665 191287895 /nfs/dbraw/zinc/28/78/95/191287895.db2.gz BJYHYLQKUMWFQA-JTNHKYCSSA-N 1 1 322.374 4.414 1 0 DIAFMO CC[C@@H](C)[N@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000004893742 181169529 /nfs/dbraw/zinc/16/95/29/181169529.db2.gz MSZVPRVICYHAEH-IAGOWNOFSA-N 1 1 302.462 4.203 3 0 DIAFMO C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1 ZINC000013587972 181866328 /nfs/dbraw/zinc/86/63/28/181866328.db2.gz KUPRSXQYRVHMQY-PGRDOPGGSA-N 1 1 323.480 4.021 1 0 DIAFMO COc1ccc2c(c1)CCC[C@H]1C3=[NH+]CC[C@@]3(C)CS[C@H]21 ZINC000017176438 182078324 /nfs/dbraw/zinc/07/83/24/182078324.db2.gz WJMWCONWAQRXOI-NUJGCVRESA-N 1 1 301.455 4.287 1 0 DIAFMO COc1cccc2c1C[C@@H]([N@@H+](C)CCCc1ccccc1)CC2 ZINC000028763306 182537997 /nfs/dbraw/zinc/53/79/97/182537997.db2.gz IYTBJTNDZMUKJS-IBGZPJMESA-N 1 1 309.453 4.117 1 0 DIAFMO Cc1ccc(C(C)C)c(Oc2ccc3[nH+]c(N)nc(N)c3c2)c1 ZINC000045302265 183496432 /nfs/dbraw/zinc/49/64/32/183496432.db2.gz OMARMMHDPCQNAC-UHFFFAOYSA-N 1 1 308.385 4.018 1 0 DIAFMO Nc1[nH]c(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000066112245 184390359 /nfs/dbraw/zinc/39/03/59/184390359.db2.gz QUGDTCCQIDTVFG-UHFFFAOYSA-N 1 1 303.287 4.345 1 0 DIAFMO CCC[N@@H+](CCc1ccccc1)[C@@H]1CCc2ccc(O)cc2C1 ZINC000013759818 581094253 /nfs/dbraw/zinc/09/42/53/581094253.db2.gz NOXSTXNFXDOBON-HXUWFJFHSA-N 1 1 309.453 4.204 1 0 DIAFMO Cc1cc(C)c2c(C[N@@H+](C)Cc3ccccc3)cc(=O)oc2c1 ZINC000072138152 191048440 /nfs/dbraw/zinc/04/84/40/191048440.db2.gz PCNIWJTUCBFORZ-UHFFFAOYSA-N 1 1 307.393 4.042 3 0 DIAFMO CC[C@H]([NH2+]Cc1coc(-c2ccc(O)cc2)n1)c1ccccc1 ZINC000072184044 191071767 /nfs/dbraw/zinc/07/17/67/191071767.db2.gz SPHUKAJVMJXGHK-SFHVURJKSA-N 1 1 308.381 4.288 1 0 DIAFMO COc1ccc(-c2nc(C[NH2+][C@@H]3CCc4ccccc43)co2)cc1 ZINC000072182996 191072418 /nfs/dbraw/zinc/07/24/18/191072418.db2.gz RROGRUFRAQXWIO-LJQANCHMSA-N 1 1 320.392 4.127 1 0 DIAFMO CCOc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2C)co1 ZINC000072180417 191072718 /nfs/dbraw/zinc/07/27/18/191072718.db2.gz JRTCXMYERZNBFK-AWEZNQCLSA-N 1 1 300.402 4.115 1 0 DIAFMO Oc1ccc(-c2nc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)co2)cc1 ZINC000072182807 191072799 /nfs/dbraw/zinc/07/27/99/191072799.db2.gz FNHGJCVLILWBNB-GDBMZVCRSA-N 1 1 312.413 4.059 1 0 DIAFMO Cc1ccc([C@@H](C)[NH2+]Cc2coc(-c3ccc(O)cc3)n2)cc1 ZINC000072185699 191072915 /nfs/dbraw/zinc/07/29/15/191072915.db2.gz WMEVVQXHAVPVPO-CQSZACIVSA-N 1 1 308.381 4.206 1 0 DIAFMO Cc1ccc(O)c([C@H](CC[N@H+]2C[C@@H]3C[C@@H]3C2)c2ccccc2)c1 ZINC000003939529 181058073 /nfs/dbraw/zinc/05/80/73/181058073.db2.gz BZVDQWZORRJGHQ-CEXWTWQISA-N 1 1 307.437 4.174 1 0 DIAFMO CCCCCC[N@H+]1CCC[C@]2(C1)O[C@H](OC)Cc1ccccc12 ZINC000045255456 183491607 /nfs/dbraw/zinc/49/16/07/183491607.db2.gz PDZIFOILZWGZSR-VQTJNVASSA-N 1 1 317.473 4.103 1 0 DIAFMO CC(C)[N@H+]1CC[C@](C)(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000061905737 184194013 /nfs/dbraw/zinc/19/40/13/184194013.db2.gz BFQXKMARNDQZRP-HNNXBMFYSA-N 1 1 315.244 4.052 3 0 DIAFMO C[N@H+]1CCC[C@](C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000061904693 184194341 /nfs/dbraw/zinc/19/43/41/184194341.db2.gz HJVHBIYRTHQWDH-FQEVSTJZSA-N 1 1 324.424 4.149 3 0 DIAFMO CSc1ccc(O[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000061927710 184196357 /nfs/dbraw/zinc/19/63/57/184196357.db2.gz UAEKQRIHAMJKOV-IBGZPJMESA-N 1 1 313.466 4.452 3 0 DIAFMO c1ccc(Cc2ccc(OCC[N@H+]3C[C@@H]4C=C[C@H]3CC4)cc2)cc1 ZINC000013805343 581092062 /nfs/dbraw/zinc/09/20/62/581092062.db2.gz NMUGFBLMEOSJGP-RTWAWAEBSA-N 1 1 319.448 4.307 1 0 DIAFMO Cc1ccc(Sc2ccccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000095558591 185380087 /nfs/dbraw/zinc/38/00/87/185380087.db2.gz ONIODQRFDDUVAG-UHFFFAOYSA-N 1 1 312.482 4.206 1 0 DIAFMO C[N@@H+]1C[C@H]2C=C(c3cncc(OCc4ccccc4)c3)C[C@H](C2)C1 ZINC000095576515 185380725 /nfs/dbraw/zinc/38/07/25/185380725.db2.gz JASZEBXICKBENQ-MSOLQXFVSA-N 1 1 320.436 4.016 1 0 DIAFMO Clc1ccc(COc2ccc3c(c2)CCc2[nH+]ccn2-3)cc1 ZINC000095597981 185382307 /nfs/dbraw/zinc/38/23/07/185382307.db2.gz KVLSMIHLJDQQPF-UHFFFAOYSA-N 1 1 310.784 4.203 1 0 DIAFMO NC(=[NH2+])c1ccc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1 ZINC000095614485 185382833 /nfs/dbraw/zinc/38/28/33/185382833.db2.gz QLQYEKPTCMUJKK-UHFFFAOYSA-N 1 1 312.376 4.181 1 0 DIAFMO Fc1ccccc1-c1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)co1 ZINC000072102178 191036799 /nfs/dbraw/zinc/03/67/99/191036799.db2.gz QOPKPODVGLAZBZ-LSDHHAIUSA-N 1 1 314.404 4.493 1 0 DIAFMO Oc1ccc(-c2nc(C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)co2)cc1 ZINC000072103205 191036921 /nfs/dbraw/zinc/03/69/21/191036921.db2.gz FNHGJCVLILWBNB-GOEBONIOSA-N 1 1 312.413 4.059 1 0 DIAFMO Cc1[nH]c2c([nH+]1)C=CC(=O)O[C@H](C)CCCCCCCCC2 ZINC000072175358 191070842 /nfs/dbraw/zinc/07/08/42/191070842.db2.gz JKRWNYNYPTVETN-XTZCOPOCSA-N 1 1 304.434 4.340 1 0 DIAFMO COc1cccc(-c2nc(C[NH2+][C@H]3CCc4ccccc43)co2)c1 ZINC000072185704 191072937 /nfs/dbraw/zinc/07/29/37/191072937.db2.gz DGWBDILJUALHAW-IBGZPJMESA-N 1 1 320.392 4.127 1 0 DIAFMO CC[N@H+]1CC[C@H]2[C@H](c3ccc(C=O)cc3)c3cc(C)ccc3[C@H]2C1 ZINC000003810801 181046032 /nfs/dbraw/zinc/04/60/32/181046032.db2.gz NJNCRGMAMMNSBN-FCEUIQTBSA-N 1 1 319.448 4.378 1 0 DIAFMO CC(C)=CC[N@H+]1[C@@H](C)Cn2c(=S)[nH]c3cccc(c32)[C@@H]1C ZINC000003791073 181046547 /nfs/dbraw/zinc/04/65/47/181046547.db2.gz YTUOQDQWCBEQIZ-STQMWFEESA-N 1 1 301.459 4.430 1 0 DIAFMO CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CC1)CC3 ZINC000005167618 181212623 /nfs/dbraw/zinc/21/26/23/181212623.db2.gz VSGPHNHYKRDWBH-KSEOMHKRSA-N 1 1 323.480 4.358 1 0 DIAFMO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2Cc1ccccc1 ZINC000006067099 181309795 /nfs/dbraw/zinc/30/97/95/181309795.db2.gz RPMPAQXGZYLEST-IWMITWMQSA-N 1 1 307.437 4.117 1 0 DIAFMO C[C@@H]1CC[C@]23CC[N@@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1 ZINC000040460543 183070126 /nfs/dbraw/zinc/07/01/26/183070126.db2.gz OZNXNWAXDSEBNZ-ZQEFQCJFSA-N 1 1 311.469 4.107 1 0 DIAFMO CSc1ccc(O[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000061927712 184196137 /nfs/dbraw/zinc/19/61/37/184196137.db2.gz UAEKQRIHAMJKOV-LJQANCHMSA-N 1 1 313.466 4.452 3 0 DIAFMO Nc1[nH+]cnc2c1cc(-c1ccc(Cl)cc1)n2-c1ccccc1 ZINC000064448879 184297812 /nfs/dbraw/zinc/29/78/12/184297812.db2.gz QEEMOWACIOOBJQ-UHFFFAOYSA-N 1 1 320.783 4.323 1 0 DIAFMO CCCCCc1c(CC)[nH+]cn1CCc1ccccc1OC ZINC000095565765 185380347 /nfs/dbraw/zinc/38/03/47/185380347.db2.gz RHXPISPCYUADFL-UHFFFAOYSA-N 1 1 300.446 4.430 3 0 DIAFMO C[N@H+]1CC[C@]2(c3cccc(O)c3)C[C@@H](c3ccccc3)C[C@H]1C2 ZINC000096910732 185391036 /nfs/dbraw/zinc/39/10/36/185391036.db2.gz IXWCHLNQYIVTMJ-CUWPLCDZSA-N 1 1 307.437 4.302 1 0 DIAFMO CN(C)c1ccc(-c2[nH+]c3ccccn3c2NC(C)(C)C)cc1 ZINC000005901421 181294147 /nfs/dbraw/zinc/29/41/47/181294147.db2.gz PWOVIBFHCVXGCH-UHFFFAOYSA-N 1 1 308.429 4.278 1 0 DIAFMO CN1CC[N@H+]([C@@H]2C[C@@H](c3ccccc3)c3ccccc32)CC1(C)C ZINC000022938017 182342323 /nfs/dbraw/zinc/34/23/23/182342323.db2.gz USXYBVUAZCVLAV-LEWJYISDSA-N 1 1 320.480 4.289 1 0 DIAFMO COc1ccc(/C=C\c2ccc3ccccc3c2)cc1C(=O)C[NH3+] ZINC000028111969 182508064 /nfs/dbraw/zinc/50/80/64/182508064.db2.gz HCUDTDJIGRSMGT-SREVYHEPSA-N 1 1 317.388 4.160 1 0 DIAFMO CC(C)CNc1cc(SCC(C)C)[nH+]c(NCC(C)C)n1 ZINC000040827998 183138444 /nfs/dbraw/zinc/13/84/44/183138444.db2.gz XZAAPUZHCDYNOR-UHFFFAOYSA-N 1 1 310.511 4.361 1 0 DIAFMO CCC[N@H+]1C[C@@H](c2ccccc2)O[C@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000026828488 581094229 /nfs/dbraw/zinc/09/42/29/581094229.db2.gz IXUNXYUOXOHHSI-ACRUOGEOSA-N 1 1 323.436 4.232 1 0 DIAFMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCCC2)c(C)c1 ZINC000096927494 185391969 /nfs/dbraw/zinc/39/19/69/185391969.db2.gz 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