smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c2nc(C)cc(Nc3ccc(F)cc3)c2c1 ZINC000000072002 567907526 /nfs/dbraw/zinc/90/75/26/567907526.db2.gz HALGBHPLDCJOBR-UHFFFAOYSA-N 0 3 280.346 5.043 50 0 CKAAHN Cc1ccc2nc(C)cc(Nc3cccc(Cl)c3C)c2c1 ZINC000000077018 567907517 /nfs/dbraw/zinc/90/75/17/567907517.db2.gz OZNHWVNFKJECRK-UHFFFAOYSA-N 0 3 296.801 5.557 50 0 CKAAHN Cc1ccc2nc(C)cc(Nc3ccc(C)c(C)c3)c2c1 ZINC000000077035 567907508 /nfs/dbraw/zinc/90/75/08/567907508.db2.gz MLPQCJMRLGWUIY-UHFFFAOYSA-N 0 3 276.383 5.212 50 0 CKAAHN Clc1cccc(Nc2c3c(nc4ccccc42)CCC3)c1 ZINC000000122821 169544088 /nfs/dbraw/zinc/54/40/88/169544088.db2.gz VPKVFHNOGYCRRP-UHFFFAOYSA-N 0 3 294.785 5.121 50 0 CKAAHN Clc1ccc(Nc2c3c(nc4ccccc42)CCC3)cc1 ZINC000000122825 169543862 /nfs/dbraw/zinc/54/38/62/169543862.db2.gz XFFZPLGHMCNYGF-UHFFFAOYSA-N 0 3 294.785 5.121 50 0 CKAAHN Cc1ccc(Nc2cc(C)nc3c(C)c(C)ccc23)cc1 ZINC000000183378 567924838 /nfs/dbraw/zinc/92/48/38/567924838.db2.gz NZKHUFWSZQZMEE-UHFFFAOYSA-N 0 3 276.383 5.212 50 0 CKAAHN CN(C)Cc1ccccc1Sc1cccc2ccccc21 ZINC000000346635 567825796 /nfs/dbraw/zinc/82/57/96/567825796.db2.gz DGZUNQTZDDPLAE-UHFFFAOYSA-N 0 3 293.435 5.053 50 0 CKAAHN Cc1cc(C)c2nc(C)cc(Nc3cccc(Cl)c3)c2c1 ZINC000000949076 566831501 /nfs/dbraw/zinc/83/15/01/566831501.db2.gz OCOXQQCAXDBSGF-UHFFFAOYSA-N 0 3 296.801 5.557 50 0 CKAAHN Cc1cc(Nc2cccc(C)c2C)c2ccc(C)c(C)c2n1 ZINC000000999292 567835277 /nfs/dbraw/zinc/83/52/77/567835277.db2.gz VPIURTPNAFTINE-UHFFFAOYSA-N 0 3 290.410 5.521 50 0 CKAAHN CC(C)=CCC/C(C)=C/CC(C)(C)CNCc1ccco1 ZINC000002106028 567844905 /nfs/dbraw/zinc/84/49/05/567844905.db2.gz JJZWDYRSEKOOGL-GZTJUZNOSA-N 0 3 289.463 5.478 50 0 CKAAHN c1ccc2cc(CNCc3ccc4ccccc4c3)ccc2c1 ZINC000003846307 567853912 /nfs/dbraw/zinc/85/39/12/567853912.db2.gz SIAVZWAYCUNWAB-UHFFFAOYSA-N 0 3 297.401 5.283 50 0 CKAAHN c1ccc2cc(CNCc3cccc4ccccc43)ccc2c1 ZINC000004343360 567944901 /nfs/dbraw/zinc/94/49/01/567944901.db2.gz NKOBJVWGQSDPED-UHFFFAOYSA-N 0 3 297.401 5.283 50 0 CKAAHN c1ccc2c(c1)ccc1c2-c2c(ccc3ccccc32)CNC1 ZINC000004343972 567857065 /nfs/dbraw/zinc/85/70/65/567857065.db2.gz YZXDPXIVNVKRNR-UHFFFAOYSA-N 0 3 295.385 5.263 50 0 CKAAHN CCCC[C@@H](CC)CNCc1ccc(Cl)cc1Cl ZINC000004688990 567901598 /nfs/dbraw/zinc/90/15/98/567901598.db2.gz LTKJJYIRFYNXDE-GFCCVEGCSA-N 0 3 288.262 5.299 50 0 CKAAHN CCCC[C@H](CC)CNCc1ccc(Cl)cc1Cl ZINC000004688991 567901957 /nfs/dbraw/zinc/90/19/57/567901957.db2.gz LTKJJYIRFYNXDE-LBPRGKRZSA-N 0 3 288.262 5.299 50 0 CKAAHN CCCCNc1c2ccccc2nc2c1C=CC(C)(C)C2 ZINC000004863059 170032262 /nfs/dbraw/zinc/03/22/62/170032262.db2.gz GHRZBTBCFAFYFZ-UHFFFAOYSA-N 0 3 280.415 5.042 50 0 CKAAHN Cc1cc(C)c2nc(C)cc(Nc3cccc(C)c3C)c2c1 ZINC000005129237 170069166 /nfs/dbraw/zinc/06/91/66/170069166.db2.gz KMFGISBGCRMVQT-UHFFFAOYSA-N 0 3 290.410 5.521 50 0 CKAAHN Cc1cc(Nc2ccc(Cl)cc2)c2ccc(C)c(C)c2n1 ZINC000005394507 567931856 /nfs/dbraw/zinc/93/18/56/567931856.db2.gz JODDYCMTQVSVDN-UHFFFAOYSA-N 0 3 296.801 5.557 50 0 CKAAHN Cc1ccc2nc(C)cc(Nc3ccc(Cl)cc3)c2c1 ZINC000005593299 170117389 /nfs/dbraw/zinc/11/73/89/170117389.db2.gz BVAORUZIVFNZSW-UHFFFAOYSA-N 0 3 282.774 5.249 50 0 CKAAHN Cc1ccc(Nc2cc(C)nc3c(C)c(C)ccc23)c(C)c1 ZINC000005783799 170139901 /nfs/dbraw/zinc/13/99/01/170139901.db2.gz RMUDGWXWCHPGMZ-UHFFFAOYSA-N 0 3 290.410 5.521 50 0 CKAAHN C[C@H](NC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000005937043 170158409 /nfs/dbraw/zinc/15/84/09/170158409.db2.gz GCHPYYMTNJIRBC-HNNXBMFYSA-N 0 3 285.390 5.107 50 0 CKAAHN C[C@@H](NC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000005937045 170158210 /nfs/dbraw/zinc/15/82/10/170158210.db2.gz GCHPYYMTNJIRBC-OAHLLOKOSA-N 0 3 285.390 5.107 50 0 CKAAHN Cc1ccc2nc(C)cc(Nc3cccc(Cl)c3)c2c1 ZINC000006256444 326818082 /nfs/dbraw/zinc/81/80/82/326818082.db2.gz HJXBFDYQAUZYNW-UHFFFAOYSA-N 0 3 282.774 5.249 50 0 CKAAHN CCc1ccccc1Nc1c2c(nc3ccccc31)CCC2 ZINC000006388228 170197117 /nfs/dbraw/zinc/19/71/17/170197117.db2.gz LTBKVMKFTFLKPO-UHFFFAOYSA-N 0 3 288.394 5.030 50 0 CKAAHN Cc1ccccc1Nc1c2ccccc2nc2c1CCCC2 ZINC000006746210 170239355 /nfs/dbraw/zinc/23/93/55/170239355.db2.gz AOPAQCGQDZRUSF-UHFFFAOYSA-N 0 3 288.394 5.166 50 0 CKAAHN CC(C)(C)CC(C)(C)NCc1c(Cl)cccc1Cl ZINC000006857330 170250013 /nfs/dbraw/zinc/25/00/13/170250013.db2.gz BNBCTKQCFPCWNX-UHFFFAOYSA-N 0 3 288.262 5.298 50 0 CKAAHN CC(C)(C)CC(C)(C)NCc1ccc(Cl)cc1Cl ZINC000006857397 170249975 /nfs/dbraw/zinc/24/99/75/170249975.db2.gz DSYFOKVOGNIMAD-UHFFFAOYSA-N 0 3 288.262 5.298 50 0 CKAAHN CC(C)(C)CC(C)(C)NCc1cccc(Cl)c1Cl ZINC000006857424 170250279 /nfs/dbraw/zinc/25/02/79/170250279.db2.gz QSKVFNHNNPQAQI-UHFFFAOYSA-N 0 3 288.262 5.298 50 0 CKAAHN CC(C)(C)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000006882559 170252027 /nfs/dbraw/zinc/25/20/27/170252027.db2.gz GWEYNPHPVDBZQP-UHFFFAOYSA-N 0 3 298.213 5.142 50 0 CKAAHN CC(C)(C)NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006882561 170252142 /nfs/dbraw/zinc/25/21/42/170252142.db2.gz AYWAVPOOUPZELO-UHFFFAOYSA-N 0 3 298.213 5.142 50 0 CKAAHN CC(C)(C)NCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000006882570 170252631 /nfs/dbraw/zinc/25/26/31/170252631.db2.gz WVXMRPSMGLOXFF-UHFFFAOYSA-N 0 3 298.213 5.142 50 0 CKAAHN CC(C)N(Cc1csc2c1CCCC2)Cc1ccccc1 ZINC000006895107 567002337 /nfs/dbraw/zinc/00/23/37/567002337.db2.gz DBUDILGCZUHXSE-UHFFFAOYSA-N 0 3 299.483 5.038 50 0 CKAAHN CCCCCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007261055 170274090 /nfs/dbraw/zinc/27/40/90/170274090.db2.gz MMDYSRJIXFLRQU-UHFFFAOYSA-N 0 3 291.822 5.270 50 0 CKAAHN CCCCCCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000007261060 170273796 /nfs/dbraw/zinc/27/37/96/170273796.db2.gz HOWYMGNPVLDAET-UHFFFAOYSA-N 0 3 291.822 5.270 50 0 CKAAHN CCCCCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007261318 170273991 /nfs/dbraw/zinc/27/39/91/170273991.db2.gz ILQVKPQTOZMVJF-UHFFFAOYSA-N 0 3 295.785 5.019 50 0 CKAAHN CCCCCNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007261329 170273659 /nfs/dbraw/zinc/27/36/59/170273659.db2.gz LGIKEZBIWNWMBW-UHFFFAOYSA-N 0 3 291.822 5.188 50 0 CKAAHN CCCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007261706 170273984 /nfs/dbraw/zinc/27/39/84/170273984.db2.gz NPBFFFLSXBFHDD-UHFFFAOYSA-N 0 3 298.213 5.143 50 0 CKAAHN CCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007261707 170274006 /nfs/dbraw/zinc/27/40/06/170274006.db2.gz QJPPWYDHFVLSHS-UHFFFAOYSA-N 0 3 298.213 5.143 50 0 CKAAHN CCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007261716 170273758 /nfs/dbraw/zinc/27/37/58/170273758.db2.gz QOKGFIGMWGGBMQ-UHFFFAOYSA-N 0 3 298.213 5.143 50 0 CKAAHN Clc1cccc(Cl)c1CNC1CCCCCCC1 ZINC000007522790 170288538 /nfs/dbraw/zinc/28/85/38/170288538.db2.gz SZDAZVBRAQZEMV-UHFFFAOYSA-N 0 3 286.246 5.196 50 0 CKAAHN CC[C@@H](C)NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007524496 170288952 /nfs/dbraw/zinc/28/89/52/170288952.db2.gz XUKHGZLQOTUOIE-SNVBAGLBSA-N 0 3 298.213 5.142 50 0 CKAAHN CC[C@H](C)NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007524499 170288814 /nfs/dbraw/zinc/28/88/14/170288814.db2.gz XUKHGZLQOTUOIE-JTQLQIEISA-N 0 3 298.213 5.142 50 0 CKAAHN CC[C@@H](C)NCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007539015 170290141 /nfs/dbraw/zinc/29/01/41/170290141.db2.gz QXRRHNJNCZTLER-SNVBAGLBSA-N 0 3 298.213 5.142 50 0 CKAAHN CC[C@H](C)NCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007539019 170290370 /nfs/dbraw/zinc/29/03/70/170290370.db2.gz QXRRHNJNCZTLER-JTQLQIEISA-N 0 3 298.213 5.142 50 0 CKAAHN C[C@H](NCc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000008534265 170339028 /nfs/dbraw/zinc/33/90/28/170339028.db2.gz ZPDBGUNITLRZKO-KRWDZBQOSA-N 0 3 287.406 5.204 50 0 CKAAHN C[C@@H](NCc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000008535337 170339297 /nfs/dbraw/zinc/33/92/97/170339297.db2.gz ZPDBGUNITLRZKO-QGZVFWFLSA-N 0 3 287.406 5.204 50 0 CKAAHN Fc1ccccc1-c1ccc(CNCCC2=CCCCC2)o1 ZINC000013723847 567867661 /nfs/dbraw/zinc/86/76/61/567867661.db2.gz PMGCEYVAQRGOLF-UHFFFAOYSA-N 0 3 299.389 5.066 50 0 CKAAHN Fc1ccc(-c2ccc(CNCCC3=CCCCC3)o2)cc1 ZINC000013723850 567942240 /nfs/dbraw/zinc/94/22/40/567942240.db2.gz ILLHDYJORFKYNV-UHFFFAOYSA-N 0 3 299.389 5.066 50 0 CKAAHN Cc1c(Cl)cccc1-c1ccc(CNCCC(C)C)o1 ZINC000013724404 567867714 /nfs/dbraw/zinc/86/77/14/567867714.db2.gz XGJGHSPFEZJRIV-UHFFFAOYSA-N 0 3 291.822 5.044 50 0 CKAAHN Cc1ccc(-c2ccc(CNCCC(C)C)o2)cc1Cl ZINC000013724495 567867354 /nfs/dbraw/zinc/86/73/54/567867354.db2.gz WBFOQDNQTPBLSZ-UHFFFAOYSA-N 0 3 291.822 5.044 50 0 CKAAHN Cc1ccc(Nc2c3c(nc4ccccc42)CCC3)c(C)c1 ZINC000020858496 171276395 /nfs/dbraw/zinc/27/63/95/171276395.db2.gz HFISVXDHRDZZFB-UHFFFAOYSA-N 0 3 288.394 5.084 50 0 CKAAHN Cc1cc(C)cc(Nc2c3c(nc4ccccc42)CCC3)c1 ZINC000020858500 171276357 /nfs/dbraw/zinc/27/63/57/171276357.db2.gz MXDFTQASSMLXLU-UHFFFAOYSA-N 0 3 288.394 5.084 50 0 CKAAHN Cc1ccc(Nc2c3c(nc4ccccc42)CCC3)cc1C ZINC000020858505 171276444 /nfs/dbraw/zinc/27/64/44/171276444.db2.gz ZVTOQRDBANXCKY-UHFFFAOYSA-N 0 3 288.394 5.084 50 0 CKAAHN Cc1ccc(C)c(Nc2c3c(nc4ccccc42)CCC3)c1 ZINC000020858510 171276272 /nfs/dbraw/zinc/27/62/72/171276272.db2.gz FYWJIRYXDFLCLY-UHFFFAOYSA-N 0 3 288.394 5.084 50 0 CKAAHN CCCCCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000020876028 171277494 /nfs/dbraw/zinc/27/74/94/171277494.db2.gz XWDOTEOJLKOXQG-UHFFFAOYSA-N 0 3 291.822 5.270 50 0 CKAAHN CCCCCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876595 171277600 /nfs/dbraw/zinc/27/76/00/171277600.db2.gz GKXSOTMNWJMZHB-UHFFFAOYSA-N 0 3 291.822 5.188 50 0 CKAAHN Cc1ccc(CN[C@H](C)c2cccc3ccccc32)s1 ZINC000021021356 570303344 /nfs/dbraw/zinc/30/33/44/570303344.db2.gz BYXALAOLPSSBQP-CQSZACIVSA-N 0 3 281.424 5.061 50 0 CKAAHN Cc1ccc(CN[C@@H](C)c2cccc3ccccc32)s1 ZINC000021021363 327921099 /nfs/dbraw/zinc/92/10/99/327921099.db2.gz BYXALAOLPSSBQP-AWEZNQCLSA-N 0 3 281.424 5.061 50 0 CKAAHN CCc1c(C)[nH]c(/C=C/C=C2/N=C(C)C(CC)=C2C)c1C ZINC000025726029 570231400 /nfs/dbraw/zinc/23/14/00/570231400.db2.gz PVUYVDVINSBRKT-FWTLAULQSA-N 0 3 282.431 5.292 50 0 CKAAHN Fc1cccc(CN2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087070 567886342 /nfs/dbraw/zinc/88/63/42/567886342.db2.gz BZBLTBILDCJBFC-MRXNPFEDSA-N 0 3 289.419 5.005 50 0 CKAAHN Fc1cccc(CN2CCCCC[C@H]2c2cccs2)c1 ZINC000033087071 567886202 /nfs/dbraw/zinc/88/62/02/567886202.db2.gz BZBLTBILDCJBFC-INIZCTEOSA-N 0 3 289.419 5.005 50 0 CKAAHN Fc1ccccc1CN1CCCCC[C@@H]1c1cccs1 ZINC000033087272 567886443 /nfs/dbraw/zinc/88/64/43/567886443.db2.gz KDFURRHKRDQQAL-MRXNPFEDSA-N 0 3 289.419 5.005 50 0 CKAAHN Fc1ccccc1CN1CCCCC[C@H]1c1cccs1 ZINC000033087273 567886215 /nfs/dbraw/zinc/88/62/15/567886215.db2.gz KDFURRHKRDQQAL-INIZCTEOSA-N 0 3 289.419 5.005 50 0 CKAAHN Fc1ccc(CN2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087290 567886815 /nfs/dbraw/zinc/88/68/15/567886815.db2.gz BBWQJNQIGAWRAK-MRXNPFEDSA-N 0 3 289.419 5.005 50 0 CKAAHN Fc1ccc(CN2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087291 567886675 /nfs/dbraw/zinc/88/66/75/567886675.db2.gz BBWQJNQIGAWRAK-INIZCTEOSA-N 0 3 289.419 5.005 50 0 CKAAHN Cc1[nH]c(C2=C/C(=C3/N=C(C)C(C)=C3C)CCC2)c(C)c1C ZINC000033773480 567887101 /nfs/dbraw/zinc/88/71/01/567887101.db2.gz TXCNZYJXBARETF-CZIZESTLSA-N 0 3 294.442 5.572 50 0 CKAAHN CC(C)[C@H](NCc1ccc2ccccc2c1)c1cccs1 ZINC000035017329 566843853 /nfs/dbraw/zinc/84/38/53/566843853.db2.gz KWKKDSRRMIXTFA-IBGZPJMESA-N 0 3 295.451 5.388 50 0 CKAAHN CC(C)[C@@H](NCc1ccc2ccccc2c1)c1cccs1 ZINC000035017331 566844180 /nfs/dbraw/zinc/84/41/80/566844180.db2.gz KWKKDSRRMIXTFA-LJQANCHMSA-N 0 3 295.451 5.388 50 0 CKAAHN C[C@H](NC1c2ccccc2-c2ccccc21)c1cccs1 ZINC000055420765 567147110 /nfs/dbraw/zinc/14/71/10/567147110.db2.gz ZLCJKSYUFCREFB-ZDUSSCGKSA-N 0 3 291.419 5.169 50 0 CKAAHN C[C@@H](NC1c2ccccc2-c2ccccc21)c1cccs1 ZINC000055420770 567145969 /nfs/dbraw/zinc/14/59/69/567145969.db2.gz ZLCJKSYUFCREFB-CYBMUJFWSA-N 0 3 291.419 5.169 50 0 CKAAHN CC(C)n1cc(CN[C@@H](C)c2ccccc2)c2ccccc21 ZINC000057353247 567894960 /nfs/dbraw/zinc/89/49/60/567894960.db2.gz CIHHULGWPRJBQL-INIZCTEOSA-N 0 3 292.426 5.073 50 0 CKAAHN CC(C)n1cc(CN[C@H](C)c2ccccc2)c2ccccc21 ZINC000057353249 567895107 /nfs/dbraw/zinc/89/51/07/567895107.db2.gz CIHHULGWPRJBQL-MRXNPFEDSA-N 0 3 292.426 5.073 50 0 CKAAHN C(=C/N(Cc1ccccc1)Cc1ccccc1)\c1ccccc1 ZINC000067734481 567859439 /nfs/dbraw/zinc/85/94/39/567859439.db2.gz YLABIYTVXBHXSD-WUKNDPDISA-N 0 3 299.417 5.360 50 0 CKAAHN CC(C)(C)[C@H](NCc1ccc(Cl)s1)c1cccs1 ZINC000072016050 176309741 /nfs/dbraw/zinc/30/97/41/176309741.db2.gz PMTQWLDWVDKKRI-CYBMUJFWSA-N 0 3 299.892 5.340 50 0 CKAAHN CC(C)(C)[C@@H](NCc1ccc(Cl)s1)c1cccs1 ZINC000072016051 176309549 /nfs/dbraw/zinc/30/95/49/176309549.db2.gz PMTQWLDWVDKKRI-ZDUSSCGKSA-N 0 3 299.892 5.340 50 0 CKAAHN CN[C@@H](C)c1ccc(Oc2ccccc2Cl)cc1Cl ZINC000078931963 567112195 /nfs/dbraw/zinc/11/21/95/567112195.db2.gz WCEVHKNAQOZYIT-JTQLQIEISA-N 0 3 296.197 5.066 50 0 CKAAHN CN[C@H](C)c1ccc(Oc2ccccc2Cl)cc1Cl ZINC000078931970 567111890 /nfs/dbraw/zinc/11/18/90/567111890.db2.gz WCEVHKNAQOZYIT-SNVBAGLBSA-N 0 3 296.197 5.066 50 0 CKAAHN Cc1ccsc1CNCc1cccc(-c2ccccc2)c1 ZINC000084257556 570253086 /nfs/dbraw/zinc/25/30/86/570253086.db2.gz KQHBGZPPGSLAAT-UHFFFAOYSA-N 0 3 293.435 5.013 50 0 CKAAHN Cc1ccc([C@@H](C)N[C@@H](C)c2cc3ccccc3[nH]2)cc1C ZINC000095986436 185056251 /nfs/dbraw/zinc/05/62/51/185056251.db2.gz RXFWRKDZISHARF-CVEARBPZSA-N 0 3 292.426 5.197 50 0 CKAAHN Cc1ccc([C@H](C)N[C@@H](C)c2cc3ccccc3[nH]2)cc1C ZINC000095986437 185056772 /nfs/dbraw/zinc/05/67/72/185056772.db2.gz RXFWRKDZISHARF-HOTGVXAUSA-N 0 3 292.426 5.197 50 0 CKAAHN Cc1ccc([C@@H](C)N[C@H](C)c2cc3ccccc3[nH]2)cc1C ZINC000095986438 185056367 /nfs/dbraw/zinc/05/63/67/185056367.db2.gz RXFWRKDZISHARF-HZPDHXFCSA-N 0 3 292.426 5.197 50 0 CKAAHN Cc1ccc([C@H](C)N[C@H](C)c2cc3ccccc3[nH]2)cc1C ZINC000095986439 185056296 /nfs/dbraw/zinc/05/62/96/185056296.db2.gz RXFWRKDZISHARF-JKSUJKDBSA-N 0 3 292.426 5.197 50 0 CKAAHN C(=C\N(Cc1ccccc1)Cc1ccccc1)\c1ccccc1 ZINC000104227583 185936646 /nfs/dbraw/zinc/93/66/46/185936646.db2.gz YLABIYTVXBHXSD-MSUUIHNZSA-N 0 3 299.417 5.360 50 0 CKAAHN