smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CCCN1[C@H](P)CP 95618403 1410282452 /nfs/dbraw/zinc/28/24/52/1410282452.db2.gz LQIAZOCLNBBZQK-ZCFIWIBFSA-N 0 0 177.124 0.685 1 0 endogenous,in-man ACAFRN CC1=NN[C@@H](C)N=N1 40506013 572933901 /nfs/dbraw/zinc/93/39/01/572933901.db2.gz LKQNEFXKCOFFCO-GSVOUGTGSA-N 0 0 112.136 0.721 1 0 ACAFRN C[C@@]12CC(=O)[C@H]3C[C@@H](O1)O[C@]2(O)C3 95099144 560062664 /nfs/dbraw/zinc/06/26/64/560062664.db2.gz NGYMGVJOUWPPJW-IZJRFANQSA-N 0 0 184.191 0.189 1 0 biogenic,in-vitro ACAFRN Cc1ccoc1C(=O)[C@@H](O)C(C)(C)O 95910869 560057792 /nfs/dbraw/zinc/05/77/92/560057792.db2.gz HUFFZUKDVXAGIW-SECBINFHSA-N 0 0 198.218 0.903 1 0 biogenic,in-vitro ACAFRN CC[C@@H](C)[C@@H]1NC(=O)[C@H](C)NC1=O 95910272 560058875 /nfs/dbraw/zinc/05/88/75/560058875.db2.gz JDRIJDPCYNFZIT-VQVTYTSYSA-N 0 0 184.239 0.036 1 0 biogenic,in-vitro ACAFRN C[C@]12CC(=O)[C@H]3C[C@@H](O1)O[C@]2(O)C3 95099145 560062651 /nfs/dbraw/zinc/06/26/51/560062651.db2.gz NGYMGVJOUWPPJW-URJBTRRKSA-N 0 0 184.191 0.189 1 0 biogenic,in-vitro ACAFRN CC(=O)N[C@@H]1C(=O)C[C@@H](C)[C@@H]1C 85493300 560075024 /nfs/dbraw/zinc/07/50/24/560075024.db2.gz FTIHWRSCXOUYHV-JHEQGTHGSA-N 0 0 169.224 0.736 1 0 biogenic,in-vitro ACAFRN CC(=O)c1cc(=O)c(O)c(C(C)=O)o1 33832438 560088331 /nfs/dbraw/zinc/08/83/31/560088331.db2.gz LIVNCPMCQTZXRZ-UHFFFAOYSA-N 0 0 196.158 0.751 1 0 biogenic,in-vitro ACAFRN O=C1O[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C2)C3 200769 560177720 /nfs/dbraw/zinc/17/77/20/560177720.db2.gz IYOCRSOAYQUGEF-BDNRQGISSA-N 0 0 182.219 0.853 1 0 in-vitro ACAFRN [NH3+][C@H](CC1C=CCC=C1)C(=O)[O-] 2018555 560185757 /nfs/dbraw/zinc/18/57/57/560185757.db2.gz IZKPUUZAGQLNCR-MRVPVSSYSA-N 0 0 167.208 0.921 1 0 in-vitro ACAFRN CC(=O)NC[C@H](O)c1ccc(O)cc1 3649993 560189285 /nfs/dbraw/zinc/18/92/85/560189285.db2.gz KAWMSLLRABYLGN-JTQLQIEISA-N 0 0 195.218 0.562 3 0 in-vitro ACAFRN CC(=O)NC[C@@H](O)c1ccc(O)cc1 3649994 560189290 /nfs/dbraw/zinc/18/92/90/560189290.db2.gz KAWMSLLRABYLGN-SNVBAGLBSA-N 0 0 195.218 0.562 3 0 in-vitro ACAFRN O[C@H]1C=CC=C(Cl)[C@@H]1O 4978609 560200360 /nfs/dbraw/zinc/20/03/60/560200360.db2.gz CEKJBAXHIQWXBY-WDSKDSINSA-N 0 0 146.573 0.401 1 0 in-vitro ACAFRN O[C@@H]1C(Cl)=CC=C[C@H]1O 4978599 560200370 /nfs/dbraw/zinc/20/03/70/560200370.db2.gz CEKJBAXHIQWXBY-PHDIDXHHSA-N 0 0 146.573 0.401 1 0 in-vitro ACAFRN C1=COC=CO1 5187631 560201188 /nfs/dbraw/zinc/20/11/88/560201188.db2.gz KVGZZAHHUNAVKZ-UHFFFAOYSA-N 0 0 84.074 0.976 1 0 in-vitro ACAFRN CCC[C@@H](O)[C@@H]1C(=O)OC[C@H]1C 5842768 560203517 /nfs/dbraw/zinc/20/35/17/560203517.db2.gz LGIWBHBXTVSVNT-BWZBUEFSSA-N 0 0 172.224 0.957 1 0 in-vitro ACAFRN CCC[C@@H](O)[C@H]1C(=O)OC[C@H]1C 5842631 560203552 /nfs/dbraw/zinc/20/35/52/560203552.db2.gz LGIWBHBXTVSVNT-PRJMDXOYSA-N 0 0 172.224 0.957 1 0 in-vitro ACAFRN COC1=C(OC)CN(C)C=C1 13372444 560215230 /nfs/dbraw/zinc/21/52/30/560215230.db2.gz MYDYIGNXMHUFGM-UHFFFAOYSA-N 0 0 155.197 0.950 1 0 biogenic,in-vitro ACAFRN CC1(C)CC(=O)O[C@@]2(C)C(=O)OC[C@H]12 13410811 560216428 /nfs/dbraw/zinc/21/64/28/560216428.db2.gz ZMZOWXXWRCOMBJ-LHLIQPBNSA-N 0 0 198.218 0.891 1 0 biogenic,in-vitro ACAFRN CC1=C[C@H](O)C=C[C@@H]1O 13513375 560218062 /nfs/dbraw/zinc/21/80/62/560218062.db2.gz LQCOHWADIZXTOZ-RQJHMYQMSA-N 0 0 126.155 0.224 1 0 in-vitro,metabolite ACAFRN CC1=C[C@@H](O)C=C[C@H]1O 13513378 560218063 /nfs/dbraw/zinc/21/80/63/560218063.db2.gz LQCOHWADIZXTOZ-NKWVEPMBSA-N 0 0 126.155 0.224 1 0 in-vitro,metabolite ACAFRN CC1=C[C@@H](O)C=C[C@@H]1O 13513373 560218069 /nfs/dbraw/zinc/21/80/69/560218069.db2.gz LQCOHWADIZXTOZ-BQBZGAKWSA-N 0 0 126.155 0.224 1 0 in-vitro,metabolite ACAFRN CC1=C[C@H](O)C=C[C@H]1O 13513380 560218072 /nfs/dbraw/zinc/21/80/72/560218072.db2.gz LQCOHWADIZXTOZ-RNFRBKRXSA-N 0 0 126.155 0.224 1 0 in-vitro,metabolite ACAFRN Cc1ccccc1[C@@H](O)CC(N)=O 14491227 560221911 /nfs/dbraw/zinc/22/19/11/560221911.db2.gz LKTRKUPEDMMAQL-VIFPVBQESA-N 0 0 179.219 0.904 1 0 in-vitro ACAFRN Cc1ccccc1[C@H](O)CC(N)=O 14491229 560221923 /nfs/dbraw/zinc/22/19/23/560221923.db2.gz LKTRKUPEDMMAQL-SECBINFHSA-N 0 0 179.219 0.904 1 0 in-vitro ACAFRN C[C@@H]1CC[C@]2(C[C@@H]3OC(=O)C[C@@H]3O2)O1 14922252 560227537 /nfs/dbraw/zinc/22/75/37/560227537.db2.gz XNJDUGALSDZUTA-VEVYYDQMSA-N 0 0 198.218 0.986 1 0 biogenic,in-vitro ACAFRN CC(=O)N1C=CCC1 13480247 571702280 /nfs/dbraw/zinc/70/22/80/571702280.db2.gz CMFWLOPIOWBYCM-UHFFFAOYSA-N 0 0 111.144 0.752 1 0 endogenous,in-man ACAFRN C[C@@H](CO)[C@H]1CC[C@@](C)(O)[C@@H](O)C1 14588533 571713321 /nfs/dbraw/zinc/71/33/21/571713321.db2.gz JHIDFPUXRICDSW-AATLWQCWSA-N 0 0 188.267 0.527 1 0 endogenous,in-man ACAFRN C[C@@H](CO)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1 14588531 571713377 /nfs/dbraw/zinc/71/33/77/571713377.db2.gz JHIDFPUXRICDSW-QCLAVDOMSA-N 0 0 188.267 0.527 1 0 endogenous,in-man ACAFRN C[C@H](CO)[C@H]1CC[C@@](C)(O)[C@@H](O)C1 14588534 571713395 /nfs/dbraw/zinc/71/33/95/571713395.db2.gz JHIDFPUXRICDSW-XFWSIPNHSA-N 0 0 188.267 0.527 1 0 endogenous,in-man ACAFRN CC(C)C1=C[C@@H](O)[C@](C)(O)C[C@@H]1O 14588888 571713776 /nfs/dbraw/zinc/71/37/76/571713776.db2.gz SYRVWXFZYGDVTF-IVZWLZJFSA-N 0 0 186.251 0.445 1 0 endogenous,in-man ACAFRN CC(C)C1=C[C@@H](O)[C@@](C)(O)C[C@@H]1O 14588886 571713789 /nfs/dbraw/zinc/71/37/89/571713789.db2.gz SYRVWXFZYGDVTF-AEJSXWLSSA-N 0 0 186.251 0.445 1 0 endogenous,in-man ACAFRN CN1CCc2cncn2C1=S 14887327 571726792 /nfs/dbraw/zinc/72/67/92/571726792.db2.gz OXVNSOXLMCVHBU-UHFFFAOYSA-N 0 0 167.237 0.504 1 0 endogenous,in-man ACAFRN O=c1ccn2n1CCCCC2 1645558 571779291 /nfs/dbraw/zinc/77/92/91/571779291.db2.gz PFZHRYOZBHISOM-UHFFFAOYSA-N 0 0 152.197 0.834 1 0 ACAFRN CCCCCCOS(N)(=O)=O 5511987 571841675 /nfs/dbraw/zinc/84/16/75/571841675.db2.gz BJLJBRCPDABXCA-UHFFFAOYSA-N 0 0 181.257 0.787 1 0 ACAFRN C[C@H]1CN(N=O)C(=O)O1 6037795 571858189 /nfs/dbraw/zinc/85/81/89/571858189.db2.gz CWPDWGWHFVCTQM-VKHMYHEASA-N 0 0 130.103 0.509 1 0 ACAFRN CC(C)c1cc(=O)n2nc(N)[nH]c2n1 13118652 571975057 /nfs/dbraw/zinc/97/50/57/571975057.db2.gz LQAWPAVTLGYJSB-UHFFFAOYSA-N 0 0 193.210 0.536 1 0 ACAFRN CC[C@@H](O)O[C@H](C)CO[C@@H](O)CC 36387829 572207760 /nfs/dbraw/zinc/20/77/60/572207760.db2.gz SNAJJYBUNRAGEF-HLTSFMKQSA-N 0 0 192.255 0.865 1 0 ACAFRN O=C1C[C@H]2CC=CN12 39475402 572366515 /nfs/dbraw/zinc/36/65/15/572366515.db2.gz YZBQHRLRFGPBSL-RXMQYKEDSA-N 0 0 109.128 0.505 1 0 in-vitro ACAFRN CC1=NN[C@H](C)N=N1 40506016 572934108 /nfs/dbraw/zinc/93/41/08/572934108.db2.gz LKQNEFXKCOFFCO-VKHMYHEASA-N 0 0 112.136 0.721 1 0 ACAFRN OC(O)[C@@H](O)c1ccccc1 34408116 574414248 /nfs/dbraw/zinc/41/42/48/574414248.db2.gz KAPBIUGYNCGAAZ-ZETCQYMHSA-N 0 0 154.165 0.031 1 0 endogenous,in-vitro ACAFRN C[C@H]([NH3+])C(=O)N1CCCC1C(=O)[O-] 69486247 574415663 /nfs/dbraw/zinc/41/56/63/574415663.db2.gz AIGYIMGDPQWIKT-YFKPBYRVSA-N 0 0 186.211 0.241 1 0 endogenous,in-vitro ACAFRN OC(O)[C@H](O)c1ccccc1 59978200 574415350 /nfs/dbraw/zinc/41/53/50/574415350.db2.gz KAPBIUGYNCGAAZ-SSDOTTSWSA-N 0 0 154.165 0.031 1 0 endogenous,in-vitro ACAFRN CC(C)C(NC(=O)[C@H](C)[NH3+])C(=O)[O-] 69486274 574415669 /nfs/dbraw/zinc/41/56/69/574415669.db2.gz ZVWNHJMOEPHKDF-YFKPBYRVSA-N 0 0 188.227 0.391 1 0 endogenous,in-vitro ACAFRN CC(C)C(NC(=O)[C@@H](C)[NH3+])C(=O)[O-] 69486271 574415661 /nfs/dbraw/zinc/41/56/61/574415661.db2.gz ZVWNHJMOEPHKDF-RXMQYKEDSA-N 0 0 188.227 0.391 1 0 endogenous,in-vitro ACAFRN C[C@@H]([NH3+])C(=O)N1CCCC1C(=O)[O-] 69486244 574415671 /nfs/dbraw/zinc/41/56/71/574415671.db2.gz AIGYIMGDPQWIKT-RXMQYKEDSA-N 0 0 186.211 0.241 1 0 endogenous,in-vitro ACAFRN CC(C)C(NC(=O)C[NH3+])C(=O)[O-] 69486948 574415905 /nfs/dbraw/zinc/41/59/05/574415905.db2.gz PAZNVXPOYZPOAE-UHFFFAOYSA-N 0 0 174.200 0.002 1 0 endogenous,in-vitro ACAFRN CC[C@H](C)C(NC(=O)C[NH3+])C(=O)[O-] 69486923 574415917 /nfs/dbraw/zinc/41/59/17/574415917.db2.gz BMDLGHOVLJDVSO-YFKPBYRVSA-N 0 0 188.227 0.393 1 0 endogenous,in-vitro ACAFRN CC[C@@H](C)C(NC(=O)C[NH3+])C(=O)[O-] 69486921 574415941 /nfs/dbraw/zinc/41/59/41/574415941.db2.gz BMDLGHOVLJDVSO-RXMQYKEDSA-N 0 0 188.227 0.393 1 0 endogenous,in-vitro ACAFRN CC(C)CC(NC(=O)C[NH3+])C(=O)[O-] 69486924 574415956 /nfs/dbraw/zinc/41/59/56/574415956.db2.gz CEHSKPYSNAIQHZ-UHFFFAOYSA-N 0 0 188.227 0.393 1 0 endogenous,in-vitro ACAFRN CC(C)C[C@H]([NH3+])C(=O)NCC(=O)[O-] 69487308 574416033 /nfs/dbraw/zinc/41/60/33/574416033.db2.gz SBGOADGGRFXHHV-LURJTMIESA-N 0 0 188.227 0.391 1 0 endogenous,in-vitro ACAFRN CC(C)C[C@@H]([NH3+])C(=O)NCC(=O)[O-] 69487306 574416041 /nfs/dbraw/zinc/41/60/41/574416041.db2.gz SBGOADGGRFXHHV-ZCFIWIBFSA-N 0 0 188.227 0.391 1 0 endogenous,in-vitro ACAFRN CC(NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-] 69487739 574416175 /nfs/dbraw/zinc/41/61/75/574416175.db2.gz QGNKKSPCHQNXAJ-LURJTMIESA-N 0 0 186.211 0.160 1 0 endogenous,in-vitro ACAFRN CC(NC(=O)[C@H]1CCC[NH2+]1)C(=O)[O-] 69487736 574416176 /nfs/dbraw/zinc/41/61/76/574416176.db2.gz QGNKKSPCHQNXAJ-ZCFIWIBFSA-N 0 0 186.211 0.160 1 0 endogenous,in-vitro ACAFRN [NH2+]=CN[C@@H](Cc1ccccc1)C(=O)[O-] 69488519 574416391 /nfs/dbraw/zinc/41/63/91/574416391.db2.gz GKAJHMJOABRCBW-VIFPVBQESA-N 0 0 192.218 0.879 1 0 endogenous,in-vitro ACAFRN CC[C@H](C)[C@@H](NC=[NH2+])C(=O)[O-] 69488499 574416392 /nfs/dbraw/zinc/41/63/92/574416392.db2.gz PHPGDDISHVJLPV-NTSWFWBYSA-N 0 0 158.201 0.682 1 0 endogenous,in-vitro ACAFRN [NH2+]=CN1CCC[C@@H]1C(=O)[O-] 69488520 574416394 /nfs/dbraw/zinc/41/63/94/574416394.db2.gz CDJCMXBBVRPGEI-RXMQYKEDSA-N 0 0 142.158 0.142 1 0 endogenous,in-vitro ACAFRN CC[C@@H](C)[C@@H](NC=[NH2+])C(=O)[O-] 69488496 574416396 /nfs/dbraw/zinc/41/63/96/574416396.db2.gz PHPGDDISHVJLPV-PHDIDXHHSA-N 0 0 158.201 0.682 1 0 endogenous,in-vitro ACAFRN [NH2+]=CN[C@H](Cc1ccccc1)C(=O)[O-] 69488517 574416401 /nfs/dbraw/zinc/41/64/01/574416401.db2.gz GKAJHMJOABRCBW-SECBINFHSA-N 0 0 192.218 0.879 1 0 endogenous,in-vitro ACAFRN CC[C@H](C)[C@H](NC=[NH2+])C(=O)[O-] 69488502 574416402 /nfs/dbraw/zinc/41/64/02/574416402.db2.gz PHPGDDISHVJLPV-WDSKDSINSA-N 0 0 158.201 0.682 1 0 endogenous,in-vitro ACAFRN CC[C@@H](C)[C@H](NC=[NH2+])C(=O)[O-] 69488500 574416403 /nfs/dbraw/zinc/41/64/03/574416403.db2.gz PHPGDDISHVJLPV-RITPCOANSA-N 0 0 158.201 0.682 1 0 endogenous,in-vitro ACAFRN CSCC[C@@H](NC=[NH2+])C(=O)[O-] 69488511 574416405 /nfs/dbraw/zinc/41/64/05/574416405.db2.gz UYBULUTVXWWUPR-RXMQYKEDSA-N 0 0 176.241 0.389 1 0 endogenous,in-vitro ACAFRN [NH2+]=CN1CCC[C@H]1C(=O)[O-] 69488521 574416406 /nfs/dbraw/zinc/41/64/06/574416406.db2.gz CDJCMXBBVRPGEI-YFKPBYRVSA-N 0 0 142.158 0.142 1 0 endogenous,in-vitro ACAFRN CSCC[C@H](NC=[NH2+])C(=O)[O-] 69488513 574416411 /nfs/dbraw/zinc/41/64/11/574416411.db2.gz UYBULUTVXWWUPR-YFKPBYRVSA-N 0 0 176.241 0.389 1 0 endogenous,in-vitro ACAFRN CC(C)[C@H](NC=[NH2+])C(=O)[O-] 69488549 574416431 /nfs/dbraw/zinc/41/64/31/574416431.db2.gz BNUPSBDSLNASKZ-YFKPBYRVSA-N 0 0 144.174 0.292 1 0 endogenous,in-vitro ACAFRN CC(C)[C@@H](NC=[NH2+])C(=O)[O-] 69488545 574416432 /nfs/dbraw/zinc/41/64/32/574416432.db2.gz BNUPSBDSLNASKZ-RXMQYKEDSA-N 0 0 144.174 0.292 1 0 endogenous,in-vitro ACAFRN CC(=O)NC(CCCC[NH3+])C(=O)[O-] 69488609 574416453 /nfs/dbraw/zinc/41/64/53/574416453.db2.gz ZXUIOXLJUORBBS-UHFFFAOYSA-N 0 0 188.227 0.537 1 0 endogenous,in-vitro ACAFRN NC(=O)NC(CCCC[NH3+])C(=O)[O-] 69488660 574416472 /nfs/dbraw/zinc/41/64/72/574416472.db2.gz FWMQRIOZPGXYIA-UHFFFAOYSA-N 0 0 189.215 0.069 1 0 endogenous,in-vitro ACAFRN [NH2+]=CN1CCCC1C(=O)[O-] 69488716 574416486 /nfs/dbraw/zinc/41/64/86/574416486.db2.gz JBMFMSBAPGRKDI-UHFFFAOYSA-N 0 0 142.158 0.075 1 0 endogenous,in-vitro ACAFRN [NH3+]CCCCC(NC=O)C(=O)[O-] 69488760 574416504 /nfs/dbraw/zinc/41/65/04/574416504.db2.gz WTDHFMVOHCYGET-UHFFFAOYSA-N 0 0 174.200 0.147 1 0 endogenous,in-vitro ACAFRN CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(=O)[O-] 100387036 574417767 /nfs/dbraw/zinc/41/77/67/574417767.db2.gz OHUXEOJFWNAUNA-CAHLUQPWSA-N 0 0 188.227 0.391 1 0 endogenous,in-vitro ACAFRN CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)[O-] 100387043 574417784 /nfs/dbraw/zinc/41/77/84/574417784.db2.gz OHUXEOJFWNAUNA-FSPLSTOPSA-N 0 0 188.227 0.391 1 0 endogenous,in-vitro ACAFRN CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(=O)[O-] 100387046 574417795 /nfs/dbraw/zinc/41/77/95/574417795.db2.gz OHUXEOJFWNAUNA-VDTYLAMSSA-N 0 0 188.227 0.391 1 0 endogenous,in-vitro ACAFRN CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(=O)[O-] 100387040 574417813 /nfs/dbraw/zinc/41/78/13/574417813.db2.gz OHUXEOJFWNAUNA-IYSWYEEDSA-N 0 0 188.227 0.391 1 0 endogenous,in-vitro ACAFRN CC(NC(=O)[C@@H]([NH3+])C(C)C)C(=O)[O-] 100388765 574418383 /nfs/dbraw/zinc/41/83/83/574418383.db2.gz NSURZNDHCRRJQQ-LURJTMIESA-N 0 0 188.227 0.391 1 0 endogenous,in-vitro ACAFRN CC(NC=[NH2+])C(=O)[O-] 100389284 574418452 /nfs/dbraw/zinc/41/84/52/574418452.db2.gz DZIWFYQIOSKTNR-UHFFFAOYSA-N 0 0 116.120 0.488 1 0 endogenous,in-vitro ACAFRN [NH2+]=CNC(Cc1c[nH]cn1)C(=O)[O-] 100389311 574418453 /nfs/dbraw/zinc/41/84/53/574418453.db2.gz FMOAZFQBCSEOPV-UHFFFAOYSA-N 0 0 182.183 0.434 1 0 endogenous,in-vitro ACAFRN CC(C)[C@@H]([NH3+])C(=O)NCC(=O)[O-] 100388801 574418413 /nfs/dbraw/zinc/41/84/13/574418413.db2.gz VRGYAFOJFDBRRB-ZCFIWIBFSA-N 0 0 174.200 0.001 1 0 endogenous,in-vitro ACAFRN CC(C)[C@H]([NH3+])C(=O)NCC(=O)[O-] 100388803 574418421 /nfs/dbraw/zinc/41/84/21/574418421.db2.gz VRGYAFOJFDBRRB-LURJTMIESA-N 0 0 174.200 0.001 1 0 endogenous,in-vitro ACAFRN [NH2+]=CNCC(=O)[O-] 100389306 574418457 /nfs/dbraw/zinc/41/84/57/574418457.db2.gz WBDQZQROPLEOKC-UHFFFAOYSA-N 0 0 102.093 0.098 1 0 endogenous,in-vitro ACAFRN CC(NC(=O)[C@H]([NH3+])C(C)C)C(=O)[O-] 100388762 574418367 /nfs/dbraw/zinc/41/83/67/574418367.db2.gz NSURZNDHCRRJQQ-ZCFIWIBFSA-N 0 0 188.227 0.391 1 0 endogenous,in-vitro ACAFRN CC1=N[C@H]2CCSC[C@@H]2C(=O)N1 28526546 581094398 /nfs/dbraw/zinc/09/43/98/581094398.db2.gz MWNZUHRKNPCRKY-BQBZGAKWSA-N 0 0 184.264 0.656 1 0 ACAFRN CC1=N[C@H]2CCSC[C@H]2C(=O)N1 28526548 581094427 /nfs/dbraw/zinc/09/44/27/581094427.db2.gz 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