smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@](C)(O)CC ZINC000160506988 367011973 /nfs/dbraw/zinc/01/19/73/367011973.db2.gz URPVBLMAJHOZIF-MRXNPFEDSA-N 0 1 294.395 2.117 10 70 CEIEMN CCN(CC(=O)Nc1cccc(OC)c1)C[C@](C)(O)CC ZINC000160506988 367011978 /nfs/dbraw/zinc/01/19/78/367011978.db2.gz URPVBLMAJHOZIF-MRXNPFEDSA-N 0 1 294.395 2.117 10 70 CEIEMN CCCC[C@H](C(=O)OC)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160629536 395061867 /nfs/dbraw/zinc/06/18/67/395061867.db2.gz STCMRKQKORCGNP-IIAWOOMASA-N 0 1 283.412 2.345 10 70 CEIEMN CCN1CCC[C@@H](Nc2nnc(C(F)(F)F)s2)C1 ZINC000160162589 270238394 /nfs/dbraw/zinc/23/83/94/270238394.db2.gz YLRNFGHUXHHWON-SSDOTTSWSA-N 0 1 280.319 2.453 10 70 CEIEMN COC(=O)c1coc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160628861 534315697 /nfs/dbraw/zinc/31/56/97/534315697.db2.gz YGAGCKAVEJQWTQ-CZUORRHYSA-N 0 1 293.363 2.193 10 70 CEIEMN CC[C@@H]1CN(C(=O)C(C)(CC)CC)CCN1C[C@@H](C)O ZINC000159438754 540406951 /nfs/dbraw/zinc/40/69/51/540406951.db2.gz GPAIOPNAKSNBKW-ZIAGYGMSSA-N 0 1 284.444 2.116 10 70 CEIEMN CCc1nc(CN[C@H](C)c2ccc(F)c(F)c2)n[nH]1 ZINC000160271807 366989153 /nfs/dbraw/zinc/98/91/53/366989153.db2.gz GNHCQGZMTQBLLZ-MRVPVSSYSA-N 0 1 266.295 2.496 10 70 CEIEMN O=C(N1CCN2CCCC[C@H]2C1)N1CCCCCC1 ZINC000160678048 367026854 /nfs/dbraw/zinc/02/68/54/367026854.db2.gz JZWGSIVYWUZFQH-AWEZNQCLSA-N 0 1 265.401 2.153 10 70 CEIEMN CC[C@H]1CN(C(=O)C(C)(CC)CC)CCN1C[C@@H](C)O ZINC000159438878 539277971 /nfs/dbraw/zinc/27/79/71/539277971.db2.gz GPAIOPNAKSNBKW-KGLIPLIRSA-N 0 1 284.444 2.116 10 70 CEIEMN CCC[C@@H](C(=O)Nc1cccc(-c2nnco2)c1)N(C)C ZINC000161494025 367090683 /nfs/dbraw/zinc/09/06/83/367090683.db2.gz KHKFIUCOULLYJV-ZDUSSCGKSA-N 0 1 288.351 2.405 10 70 CEIEMN Nc1ccc2c(c1)CCC[C@H]2Nc1ncnc2[nH]cnc21 ZINC000159507884 395058365 /nfs/dbraw/zinc/05/83/65/395058365.db2.gz MWFUZMHVKZAYTA-GFCCVEGCSA-N 0 1 280.335 2.425 10 70 CEIEMN CCCC(O)(CCC)CC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000159706942 162311669 /nfs/dbraw/zinc/31/16/69/162311669.db2.gz XUZADLJRUMKXHK-OAHLLOKOSA-N 0 1 296.455 2.405 10 70 CEIEMN CCn1cc(C2CCN(Cc3cnn(C)c3)CC2)cn1 ZINC000160466305 523355867 /nfs/dbraw/zinc/35/58/67/523355867.db2.gz RAUMHXDWWIBPFC-UHFFFAOYSA-N 0 1 273.384 2.016 10 70 CEIEMN CCC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(C)C ZINC000161129211 367059671 /nfs/dbraw/zinc/05/96/71/367059671.db2.gz GEBGLJJBZWNPEP-AWEZNQCLSA-N 0 1 277.368 2.314 10 70 CEIEMN CCN(CC(=O)Nc1ccccc1OC)C[C@](C)(O)CC ZINC000160397384 527930263 /nfs/dbraw/zinc/93/02/63/527930263.db2.gz WYSGPBQXTMSRDT-MRXNPFEDSA-N 0 1 294.395 2.117 10 70 CEIEMN CCC(CC)CNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000160569023 521528278 /nfs/dbraw/zinc/52/82/78/521528278.db2.gz UVNFQNZDVIHLEF-CQSZACIVSA-N 0 1 267.417 2.302 10 70 CEIEMN CCC[C@H](NC(=O)CN(CC)C1CC1)C(=O)OC(C)(C)C ZINC000161487077 521125482 /nfs/dbraw/zinc/12/54/82/521125482.db2.gz MAUOOKHDMIUAKH-ZDUSSCGKSA-N 0 1 298.427 2.097 10 70 CEIEMN CCC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(C)C ZINC000161129318 367059416 /nfs/dbraw/zinc/05/94/16/367059416.db2.gz GEBGLJJBZWNPEP-CQSZACIVSA-N 0 1 277.368 2.314 10 70 CEIEMN CCC[C@H](C(=O)OCC)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160944193 276039303 /nfs/dbraw/zinc/03/93/03/276039303.db2.gz YZFWYUMNJCSVHM-IIAWOOMASA-N 0 1 283.412 2.345 10 70 CEIEMN CCC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(C)C ZINC000161210721 367068642 /nfs/dbraw/zinc/06/86/42/367068642.db2.gz LMLJPTHAZDAXOH-ZDUSSCGKSA-N 0 1 278.352 2.142 10 70 CEIEMN CCC[C@H](C(=O)Nc1ccc(N2CCCC2)nc1)N(C)C ZINC000161383904 367083020 /nfs/dbraw/zinc/08/30/20/367083020.db2.gz QBDRCKQMIACYER-CQSZACIVSA-N 0 1 290.411 2.351 10 70 CEIEMN COc1cccc([C@H](CNC(=O)OC(C)C)N(C)C)c1 ZINC000160318081 366994937 /nfs/dbraw/zinc/99/49/37/366994937.db2.gz JCEPUDPQIMCMSI-AWEZNQCLSA-N 0 1 280.368 2.433 10 70 CEIEMN CCC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N(C)C ZINC000161174769 367063624 /nfs/dbraw/zinc/06/36/24/367063624.db2.gz AAHXQGLEZFCBCU-GFCCVEGCSA-N 0 1 280.368 2.373 10 70 CEIEMN CC[C@](C)(O)C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000160518045 367012369 /nfs/dbraw/zinc/01/23/69/367012369.db2.gz HATZWOMYIPIWAZ-INIZCTEOSA-N 0 1 278.396 2.335 10 70 CEIEMN CC[C@](C)(O)CN(C)CC(=O)Nc1c(C)cccc1C ZINC000160518045 367012374 /nfs/dbraw/zinc/01/23/74/367012374.db2.gz HATZWOMYIPIWAZ-INIZCTEOSA-N 0 1 278.396 2.335 10 70 CEIEMN CCC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(C)C ZINC000161151931 367062758 /nfs/dbraw/zinc/06/27/58/367062758.db2.gz ANLILSWHAVWIPK-ZDUSSCGKSA-N 0 1 278.352 2.142 10 70 CEIEMN CCC[C@H](C(=O)Nc1ccc(N(C)C)cc1)N(C)C ZINC000161424190 367085033 /nfs/dbraw/zinc/08/50/33/367085033.db2.gz VYQROTBNWKGPGP-CQSZACIVSA-N 0 1 263.385 2.421 10 70 CEIEMN OC1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159733570 285246158 /nfs/dbraw/zinc/24/61/58/285246158.db2.gz QNSJRDWVNSHOCM-CQSZACIVSA-N 0 1 294.782 2.290 10 70 CEIEMN CCc1nc(CN[C@@H](C)c2ccc(F)c(F)c2)n[nH]1 ZINC000160271707 366989031 /nfs/dbraw/zinc/98/90/31/366989031.db2.gz GNHCQGZMTQBLLZ-QMMMGPOBSA-N 0 1 266.295 2.496 10 70 CEIEMN CCOC[C@H](O)CN1C[C@@H](c2ccccc2)OCC1(C)C ZINC000217183643 400306860 /nfs/dbraw/zinc/30/68/60/400306860.db2.gz XEGLLTWHXXUGGI-CVEARBPZSA-N 0 1 293.407 2.236 10 70 CEIEMN OCCN(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CC1 ZINC000159745480 366944407 /nfs/dbraw/zinc/94/44/07/366944407.db2.gz AMOFBSKCRUKTQO-AWEZNQCLSA-N 0 1 294.782 2.290 10 70 CEIEMN CC[C@](C)(O)CN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000161086154 367054813 /nfs/dbraw/zinc/05/48/13/367054813.db2.gz INOZQXFBZIBPOM-ZBFHGGJFSA-N 0 1 294.370 2.024 10 70 CEIEMN CC[C@](C)(O)CN(C)CC(=O)Nc1cccc(Cl)c1 ZINC000160441261 367006531 /nfs/dbraw/zinc/00/65/31/367006531.db2.gz XOAURTRNYUUDTI-AWEZNQCLSA-N 0 1 284.787 2.371 10 70 CEIEMN Cc1ccc(C(=O)CCN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000159465342 395058404 /nfs/dbraw/zinc/05/84/04/395058404.db2.gz PXRKCRYFWGGQDM-MRXNPFEDSA-N 0 1 298.390 2.496 10 70 CEIEMN CCC[C@H](C(=O)Nc1ccc(O)c(C)c1)N(C)C ZINC000160671751 367025417 /nfs/dbraw/zinc/02/54/17/367025417.db2.gz WNNHTZICSHAVHG-GFCCVEGCSA-N 0 1 250.342 2.369 10 70 CEIEMN CCCC(O)(CCC)CC(=O)N1CCN2CCCC[C@H]2C1 ZINC000159707078 162314239 /nfs/dbraw/zinc/31/42/39/162314239.db2.gz XUZADLJRUMKXHK-HNNXBMFYSA-N 0 1 296.455 2.405 10 70 CEIEMN CCN(CC(=O)Nc1ccccc1OC)C[C@@](C)(O)CC ZINC000160397275 527929507 /nfs/dbraw/zinc/92/95/07/527929507.db2.gz WYSGPBQXTMSRDT-INIZCTEOSA-N 0 1 294.395 2.117 10 70 CEIEMN CCC[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)N(C)C ZINC000160983344 367047401 /nfs/dbraw/zinc/04/74/01/367047401.db2.gz HQLGFBOPXBOWME-AWEZNQCLSA-N 0 1 277.368 2.314 10 70 CEIEMN CCC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)C ZINC000161148725 367062622 /nfs/dbraw/zinc/06/26/22/367062622.db2.gz JDJRLSFKCQNDEY-ZDUSSCGKSA-N 0 1 250.342 2.364 10 70 CEIEMN CCC(CC)CNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000160569139 521528150 /nfs/dbraw/zinc/52/81/50/521528150.db2.gz UVNFQNZDVIHLEF-AWEZNQCLSA-N 0 1 267.417 2.302 10 70 CEIEMN OCCN(C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CC1 ZINC000159745617 366944470 /nfs/dbraw/zinc/94/44/70/366944470.db2.gz AMOFBSKCRUKTQO-CQSZACIVSA-N 0 1 294.782 2.290 10 70 CEIEMN CCC(CC)CNC(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000160560818 344459614 /nfs/dbraw/zinc/45/96/14/344459614.db2.gz LNZSUAPEWQJSAE-OAHLLOKOSA-N 0 1 299.459 2.175 10 70 CEIEMN CCC[C@H](C(=O)Nc1cccc(OC)c1)N(C)C ZINC000161144608 367062382 /nfs/dbraw/zinc/06/23/82/367062382.db2.gz HXKZJJWBMNQWOG-CYBMUJFWSA-N 0 1 250.342 2.364 10 70 CEIEMN CCC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)N(C)C ZINC000161176398 367065206 /nfs/dbraw/zinc/06/52/06/367065206.db2.gz VYEUYHBEFWJALQ-CQSZACIVSA-N 0 1 280.368 2.373 10 70 CEIEMN CC1CCN(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)CC1 ZINC000160679820 395061675 /nfs/dbraw/zinc/06/16/75/395061675.db2.gz SFFLSAZSYCDWTD-GJZGRUSLSA-N 0 1 279.428 2.397 10 70 CEIEMN Cc1ccc2nc([C@@H](C)NC(=O)c3ccnnc3)[nH]c2c1 ZINC000217169448 400307175 /nfs/dbraw/zinc/30/71/75/400307175.db2.gz JYYNXQBWMTXDTP-SNVBAGLBSA-N 0 1 281.319 2.152 10 70 CEIEMN CCc1ccc([C@H](NC(=O)[C@H](N)COC)C(C)C)cc1 ZINC000159414793 366909838 /nfs/dbraw/zinc/90/98/38/366909838.db2.gz HMPRGTJAABVZMF-HUUCEWRRSA-N 0 1 278.396 2.036 10 70 CEIEMN CCC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(C)C ZINC000161174654 367063549 /nfs/dbraw/zinc/06/35/49/367063549.db2.gz AAHXQGLEZFCBCU-LBPRGKRZSA-N 0 1 280.368 2.373 10 70 CEIEMN CC[C@](C)(O)C[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000160514753 367012165 /nfs/dbraw/zinc/01/21/65/367012165.db2.gz SAIQBKVVKDKCMX-HNNXBMFYSA-N 0 1 264.369 2.026 10 70 CEIEMN CC[C@](C)(O)CN(C)CC(=O)Nc1ccc(C)cc1 ZINC000160514753 367012172 /nfs/dbraw/zinc/01/21/72/367012172.db2.gz SAIQBKVVKDKCMX-HNNXBMFYSA-N 0 1 264.369 2.026 10 70 CEIEMN CC(C)(C)c1nsc(N2CCC(c3nc[nH]n3)CC2)n1 ZINC000159891703 162320798 /nfs/dbraw/zinc/32/07/98/162320798.db2.gz ALNDSKICRYPJRH-UHFFFAOYSA-N 0 1 292.412 2.338 10 70 CEIEMN CCn1ccnc1CNC(C)(C)CNC(=O)OC(C)(C)C ZINC000217798950 280209796 /nfs/dbraw/zinc/20/97/96/280209796.db2.gz AWBZMXSPQQPXFE-UHFFFAOYSA-N 0 1 296.415 2.296 10 70 CEIEMN CCC[C@H](C(=O)Nc1cccc(NC(C)=O)c1)N(C)C ZINC000160983473 188501895 /nfs/dbraw/zinc/50/18/95/188501895.db2.gz HQLGFBOPXBOWME-CQSZACIVSA-N 0 1 277.368 2.314 10 70 CEIEMN OCCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161096283 367056682 /nfs/dbraw/zinc/05/66/82/367056682.db2.gz DPVWQQZBGWWWFZ-CHWSQXEVSA-N 0 1 289.297 2.196 10 70 CEIEMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160504417 279239827 /nfs/dbraw/zinc/23/98/27/279239827.db2.gz BDWGXMGAOVXEOR-XJKCOSOUSA-N 0 1 283.412 2.344 10 70 CEIEMN COC(=O)c1coc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160628987 534315903 /nfs/dbraw/zinc/31/59/03/534315903.db2.gz YGAGCKAVEJQWTQ-CJNGLKHVSA-N 0 1 293.363 2.193 10 70 CEIEMN O[C@H]1CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000159727705 366943322 /nfs/dbraw/zinc/94/33/22/366943322.db2.gz AECVINJRCXYWIY-UONOGXRCSA-N 0 1 294.782 2.290 10 70 CEIEMN CCN1CCC[C@H](Nc2nnc(C(F)(F)F)s2)C1 ZINC000160162470 270238351 /nfs/dbraw/zinc/23/83/51/270238351.db2.gz YLRNFGHUXHHWON-ZETCQYMHSA-N 0 1 280.319 2.453 10 70 CEIEMN CCC[C@H](C(=O)Nc1cccc(-c2nnco2)c1)N(C)C ZINC000161494132 188530918 /nfs/dbraw/zinc/53/09/18/188530918.db2.gz KHKFIUCOULLYJV-CYBMUJFWSA-N 0 1 288.351 2.405 10 70 CEIEMN CC[C@@](C)(O)CN(C)CC(=O)Nc1c(C)cccc1C ZINC000160518195 395060768 /nfs/dbraw/zinc/06/07/68/395060768.db2.gz HATZWOMYIPIWAZ-MRXNPFEDSA-N 0 1 278.396 2.335 10 70 CEIEMN CC(C)(C)CCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161087804 518649341 /nfs/dbraw/zinc/64/93/41/518649341.db2.gz VLVHVMIRTOEZQO-PBHICJAKSA-N 0 1 296.455 2.166 10 70 CEIEMN CC[C@@](C)(O)C[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000160514864 367012116 /nfs/dbraw/zinc/01/21/16/367012116.db2.gz SAIQBKVVKDKCMX-OAHLLOKOSA-N 0 1 264.369 2.026 10 70 CEIEMN CC[C@@](C)(O)CN(C)CC(=O)Nc1ccc(C)cc1 ZINC000160514864 367012122 /nfs/dbraw/zinc/01/21/22/367012122.db2.gz SAIQBKVVKDKCMX-OAHLLOKOSA-N 0 1 264.369 2.026 10 70 CEIEMN CCC[C@@H](C(=O)Nc1ccc(N2CCCC2)nc1)N(C)C ZINC000161383795 367082392 /nfs/dbraw/zinc/08/23/92/367082392.db2.gz QBDRCKQMIACYER-AWEZNQCLSA-N 0 1 290.411 2.351 10 70 CEIEMN CCC[C@@H](C(=O)Nc1ccc(F)c(NC(C)=O)c1)N(C)C ZINC000161406073 367083180 /nfs/dbraw/zinc/08/31/80/367083180.db2.gz HBEXQRKXPDNIAH-AWEZNQCLSA-N 0 1 295.358 2.453 10 70 CEIEMN CCC[C@@H](C(=O)Nc1ccc(N(C)C)cc1)N(C)C ZINC000161424048 367084960 /nfs/dbraw/zinc/08/49/60/367084960.db2.gz VYQROTBNWKGPGP-AWEZNQCLSA-N 0 1 263.385 2.421 10 70 CEIEMN COC[C@@H](N)C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000159413943 366910289 /nfs/dbraw/zinc/91/02/89/366910289.db2.gz JBJIRIRGZCFDPX-GFCCVEGCSA-N 0 1 291.376 2.031 10 70 CEIEMN CCC[C@@H](C(=O)Nc1cccc(OC)c1)N(C)C ZINC000161144476 367060823 /nfs/dbraw/zinc/06/08/23/367060823.db2.gz HXKZJJWBMNQWOG-ZDUSSCGKSA-N 0 1 250.342 2.364 10 70 CEIEMN CCc1nc(CN[C@H](C)c2ccc(OC)c(OC)c2)n[nH]1 ZINC000160381071 367001007 /nfs/dbraw/zinc/00/10/07/367001007.db2.gz LWBYWMZHGVOPKY-SNVBAGLBSA-N 0 1 290.367 2.235 10 70 CEIEMN OC1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159733414 285246152 /nfs/dbraw/zinc/24/61/52/285246152.db2.gz QNSJRDWVNSHOCM-AWEZNQCLSA-N 0 1 294.782 2.290 10 70 CEIEMN CC[C@@](C)(O)CN(C)CC(=O)Nc1cccc(Cl)c1 ZINC000160441370 367005879 /nfs/dbraw/zinc/00/58/79/367005879.db2.gz XOAURTRNYUUDTI-CQSZACIVSA-N 0 1 284.787 2.371 10 70 CEIEMN CC[C@](C)(O)C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000160510056 367011761 /nfs/dbraw/zinc/01/17/61/367011761.db2.gz VVXPFOPEKWQWJJ-INIZCTEOSA-N 0 1 278.396 2.335 10 70 CEIEMN CC[C@](C)(O)CN(C)CC(=O)Nc1cccc(C)c1C ZINC000160510056 367011765 /nfs/dbraw/zinc/01/17/65/367011765.db2.gz VVXPFOPEKWQWJJ-INIZCTEOSA-N 0 1 278.396 2.335 10 70 CEIEMN CC1CCN(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)CC1 ZINC000160679928 395062073 /nfs/dbraw/zinc/06/20/73/395062073.db2.gz SFFLSAZSYCDWTD-LSDHHAIUSA-N 0 1 279.428 2.397 10 70 CEIEMN CCOC[C@@H](O)CN1C[C@@H](c2ccccc2)OCC1(C)C ZINC000217183635 400306758 /nfs/dbraw/zinc/30/67/58/400306758.db2.gz XEGLLTWHXXUGGI-HOTGVXAUSA-N 0 1 293.407 2.236 10 70 CEIEMN CCc1ccc([C@@H](NC(=O)[C@H](N)COC)C(C)C)cc1 ZINC000159414938 366909808 /nfs/dbraw/zinc/90/98/08/366909808.db2.gz HMPRGTJAABVZMF-CABCVRRESA-N 0 1 278.396 2.036 10 70 CEIEMN CC[C@@](C)(O)C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000160510217 367012264 /nfs/dbraw/zinc/01/22/64/367012264.db2.gz VVXPFOPEKWQWJJ-MRXNPFEDSA-N 0 1 278.396 2.335 10 70 CEIEMN CC[C@@](C)(O)CN(C)CC(=O)Nc1cccc(C)c1C ZINC000160510217 367012269 /nfs/dbraw/zinc/01/22/69/367012269.db2.gz VVXPFOPEKWQWJJ-MRXNPFEDSA-N 0 1 278.396 2.335 10 70 CEIEMN O=C(N1CCN2CCCC[C@@H]2C1)N1CCCCCC1 ZINC000160677901 367026917 /nfs/dbraw/zinc/02/69/17/367026917.db2.gz JZWGSIVYWUZFQH-CQSZACIVSA-N 0 1 265.401 2.153 10 70 CEIEMN CCC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(C)C ZINC000161152034 367062749 /nfs/dbraw/zinc/06/27/49/367062749.db2.gz ANLILSWHAVWIPK-CYBMUJFWSA-N 0 1 278.352 2.142 10 70 CEIEMN O[C@H](CN1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000217024376 370192125 /nfs/dbraw/zinc/19/21/25/370192125.db2.gz AWVXIRYCMVPHQK-BZUAXINKSA-N 0 1 261.365 2.363 10 70 CEIEMN Cc1ccc2nc([C@H](C)NC(=O)c3ccnnc3)[nH]c2c1 ZINC000217169455 400307248 /nfs/dbraw/zinc/30/72/48/400307248.db2.gz JYYNXQBWMTXDTP-JTQLQIEISA-N 0 1 281.319 2.152 10 70 CEIEMN CCC(CC)CNC(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000160560954 344459343 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