smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)[C@H]1CCCN(c2ncccn2)C1 ZINC000218063836 402294443 /nfs/dbraw/zinc/29/44/43/402294443.db2.gz UUOJGTNVRHNESQ-FXUDXRNXSA-N 0 0 312.417 2.021 40 70 DEIBRN CCN1C(=O)CS[C@H]1c1cn(Cc2ccc(F)cc2)nn1 ZINC000216753751 539726366 /nfs/dbraw/zinc/72/63/66/539726366.db2.gz VILUVSGMWFZEJH-AWEZNQCLSA-N 0 0 306.366 2.059 40 70 DEIBRN COc1ccccc1Nc1cc(N2CCN(C)CC2)nc(C)n1 ZINC000216849612 257232784 /nfs/dbraw/zinc/23/27/84/257232784.db2.gz HIYBIZDQUORRQU-UHFFFAOYSA-N 0 0 313.405 2.289 40 70 DEIBRN CN1C(=O)CS[C@@H]1c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000216751598 539726429 /nfs/dbraw/zinc/72/64/29/539726429.db2.gz OPQFEELWPCPCNT-CYBMUJFWSA-N 0 0 308.794 2.184 40 70 DEIBRN CCOC(=O)c1cc(S(C)(=O)=O)cn1Cc1ccccc1 ZINC000217753800 257131263 /nfs/dbraw/zinc/13/12/63/257131263.db2.gz SUJUDXHTRDPMPO-UHFFFAOYSA-N 0 0 307.371 2.117 40 70 DEIBRN C[C@]1(c2ncncc2F)NC(=O)c2cc(-c3cn[nH]c3)ccc21 ZINC000218305203 539726827 /nfs/dbraw/zinc/72/68/27/539726827.db2.gz KNLVLWZENYQYRT-INIZCTEOSA-N 0 0 309.304 2.013 40 70 DEIBRN CN1C(=O)CS[C@H]1c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000216751645 539726329 /nfs/dbraw/zinc/72/63/29/539726329.db2.gz OPQFEELWPCPCNT-ZDUSSCGKSA-N 0 0 308.794 2.184 40 70 DEIBRN CCN1C(=O)CS[C@H]1c1cn(Cc2ccccc2F)nn1 ZINC000216753635 539726426 /nfs/dbraw/zinc/72/64/26/539726426.db2.gz HESXQCCDUJXIJL-AWEZNQCLSA-N 0 0 306.366 2.059 40 70 DEIBRN CNC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000216891577 402290213 /nfs/dbraw/zinc/29/02/13/402290213.db2.gz QNNCOVSZKCEHAZ-UHFFFAOYSA-N 0 0 316.382 2.160 40 70 DEIBRN CN1C(=O)CS[C@H]1c1cn(Cc2cccc(Cl)c2)nn1 ZINC000216751535 563711484 /nfs/dbraw/zinc/71/14/84/563711484.db2.gz SQHITEIZLULBQK-ZDUSSCGKSA-N 0 0 308.794 2.184 40 70 DEIBRN Brc1cccc(Cn2cc(C3OCCO3)nn2)c1 ZINC000216748903 563711530 /nfs/dbraw/zinc/71/15/30/563711530.db2.gz ATDMNAOTKKDIDA-UHFFFAOYSA-N 0 0 310.151 2.134 40 70 DEIBRN CN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2Cl)nn1 ZINC000216751385 563711368 /nfs/dbraw/zinc/71/13/68/563711368.db2.gz QJBNHQPEGQQALZ-CYBMUJFWSA-N 0 0 308.794 2.184 40 70 DEIBRN COc1ccccc1-c1nnc([C@@H]2CCCN(C(C)=O)C2)o1 ZINC000216651509 257232751 /nfs/dbraw/zinc/23/27/51/257232751.db2.gz RPFSUUGMVHQMBZ-GFCCVEGCSA-N 0 0 301.346 2.471 40 70 DEIBRN Cc1ccccc1-c1nnc([C@@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000216645776 257232660 /nfs/dbraw/zinc/23/26/60/257232660.db2.gz SFQYPNMALBDUMR-GFCCVEGCSA-N 0 0 321.402 2.184 40 70 DEIBRN CN(CC(F)(F)F)C(=O)Cn1nc(C2CC2)nc1C1CC1 ZINC000161433587 291675086 /nfs/dbraw/zinc/67/50/86/291675086.db2.gz LHYDPTYTEUJLEE-UHFFFAOYSA-N 0 0 302.300 2.054 40 70 DEIBRN Cc1ccccc1-c1nnc([C@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000216645817 257232655 /nfs/dbraw/zinc/23/26/55/257232655.db2.gz SFQYPNMALBDUMR-LBPRGKRZSA-N 0 0 321.402 2.184 40 70 DEIBRN Cc1nc(Nc2ccccc2F)cc(N2CCN(C)CC2)n1 ZINC000216848768 402289929 /nfs/dbraw/zinc/28/99/29/402289929.db2.gz MXGUFRJRFRGLNO-UHFFFAOYSA-N 0 0 301.369 2.420 40 70 DEIBRN CCN1C(=O)CS[C@@H]1c1cn(Cc2ccc(C)cc2)nn1 ZINC000216753150 539726407 /nfs/dbraw/zinc/72/64/07/539726407.db2.gz AOIASPYQGPWXJD-OAHLLOKOSA-N 0 0 302.403 2.229 40 70 DEIBRN c1coc(CN2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)c1 ZINC000216779314 201497777 /nfs/dbraw/zinc/49/77/77/201497777.db2.gz HLDJMRYAUNOAAZ-QGZVFWFLSA-N 0 0 310.357 2.450 40 70 DEIBRN c1coc(CN2CCO[C@H]2c2cn(Cc3ccccc3)nn2)c1 ZINC000216779365 539726419 /nfs/dbraw/zinc/72/64/19/539726419.db2.gz HLDJMRYAUNOAAZ-KRWDZBQOSA-N 0 0 310.357 2.450 40 70 DEIBRN CN1CCC[C@H]1c1nc(CCCNC(=O)OC(C)(C)C)no1 ZINC000218378229 257131086 /nfs/dbraw/zinc/13/10/86/257131086.db2.gz KKWSQRDGPFBALP-NSHDSACASA-N 0 0 310.398 2.294 40 70 DEIBRN CCCC(=O)N1CCC[C@@H](c2nnc(-c3cncnc3C)o2)C1 ZINC000216660393 257232790 /nfs/dbraw/zinc/23/27/90/257232790.db2.gz PONFGJCEEDNUCZ-GFCCVEGCSA-N 0 0 315.377 2.341 40 70 DEIBRN Cc1cccc(-c2noc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)c1 ZINC000216671303 201496311 /nfs/dbraw/zinc/49/63/11/201496311.db2.gz KFTJPGGKRRDSSK-CYBMUJFWSA-N 0 0 321.402 2.184 40 70 DEIBRN COc1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)cc1OC ZINC000216958769 201507500 /nfs/dbraw/zinc/50/75/00/201507500.db2.gz OYUCBCWJMJXITL-UHFFFAOYSA-N 0 0 324.336 2.446 40 70 DEIBRN CC(C)(C)[SiH2]OC(C)(C)[C@@H]1CC(=O)[C@H]2OC(C)(C)O[C@H]12 ZINC000252581867 402658831 /nfs/dbraw/zinc/65/88/31/402658831.db2.gz SEDZFMTWQONWIJ-YUSALJHKSA-N 0 0 300.471 2.193 40 70 DEIBRN COc1ccc(-c2nnc([C@H]3CCCN(C(C)=O)C3)o2)cc1 ZINC000216656111 257232651 /nfs/dbraw/zinc/23/26/51/257232651.db2.gz LZLWQVKGQWVATE-ZDUSSCGKSA-N 0 0 301.346 2.471 40 70 DEIBRN CCN1C(=O)CS[C@@H]1c1cn(Cc2ccc(F)cc2)nn1 ZINC000216753700 539726379 /nfs/dbraw/zinc/72/63/79/539726379.db2.gz VILUVSGMWFZEJH-CQSZACIVSA-N 0 0 306.366 2.059 40 70 DEIBRN COc1cccc(-c2nnc(C3CCN(C(C)=O)CC3)o2)c1 ZINC000216635273 257232769 /nfs/dbraw/zinc/23/27/69/257232769.db2.gz FLNQWKFSVHKCMX-UHFFFAOYSA-N 0 0 301.346 2.471 40 70 DEIBRN Cc1nc(Nc2cccc(F)c2)cc(N2CCN(C)CC2)n1 ZINC000216848810 402289921 /nfs/dbraw/zinc/28/99/21/402289921.db2.gz NERLAMJXLLIPGB-UHFFFAOYSA-N 0 0 301.369 2.420 40 70 DEIBRN O=C(COc1cc(=O)[nH]c2ccccc21)Nc1nccs1 ZINC000217438389 402292378 /nfs/dbraw/zinc/29/23/78/402292378.db2.gz DYNWCUZVZATCRI-UHFFFAOYSA-N 0 0 301.327 2.002 40 70 DEIBRN COc1ccccc1-c1nnc([C@H]2CCCN(C(C)=O)C2)o1 ZINC000216651556 257232742 /nfs/dbraw/zinc/23/27/42/257232742.db2.gz RPFSUUGMVHQMBZ-LBPRGKRZSA-N 0 0 301.346 2.471 40 70 DEIBRN COc1cccc(-c2nnc([C@@H]3CCCN(C(C)=O)C3)o2)c1 ZINC000216653783 257232756 /nfs/dbraw/zinc/23/27/56/257232756.db2.gz NMUOKPJXIBPCDS-CYBMUJFWSA-N 0 0 301.346 2.471 40 70 DEIBRN O=C(Nc1ccccc1F)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000218366546 402295568 /nfs/dbraw/zinc/29/55/68/402295568.db2.gz WQQHZTPHWUSBSN-TXEJJXNPSA-N 0 0 303.341 2.257 40 70 DEIBRN CCN1C(=O)CS[C@H]1c1cn(Cc2ccccc2C)nn1 ZINC000216752972 539726319 /nfs/dbraw/zinc/72/63/19/539726319.db2.gz YBCJZJPSILRPOA-HNNXBMFYSA-N 0 0 302.403 2.229 40 70 DEIBRN Cc1ncncc1-c1nnc(C2CCN(C(=O)C(C)C)CC2)o1 ZINC000216641118 257232781 /nfs/dbraw/zinc/23/27/81/257232781.db2.gz LEOQKEHPMBCVQB-UHFFFAOYSA-N 0 0 315.377 2.197 40 70 DEIBRN COc1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1 ZINC000218116147 402294897 /nfs/dbraw/zinc/29/48/97/402294897.db2.gz IUKJFNKKGYYNOX-BETUJISGSA-N 0 0 315.377 2.127 40 70 DEIBRN Cc1ncc(-c2nnc(C3CCN(C(=O)C(C)C)CC3)o2)cn1 ZINC000216640855 257232666 /nfs/dbraw/zinc/23/26/66/257232666.db2.gz LPSFQBLZHWHYII-UHFFFAOYSA-N 0 0 315.377 2.197 40 70 DEIBRN CCN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2C)nn1 ZINC000216752928 201498478 /nfs/dbraw/zinc/49/84/78/201498478.db2.gz YBCJZJPSILRPOA-OAHLLOKOSA-N 0 0 302.403 2.229 40 70 DEIBRN CCOc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1 ZINC000216847428 402289872 /nfs/dbraw/zinc/28/98/72/402289872.db2.gz PPCSOGPOFCUSHN-UHFFFAOYSA-N 0 0 313.405 2.371 40 70 DEIBRN O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)[C@@H]1CCCN(c2ncccn2)C1 ZINC000218063771 402294406 /nfs/dbraw/zinc/29/44/06/402294406.db2.gz UUOJGTNVRHNESQ-QKPAOTATSA-N 0 0 312.417 2.021 40 70 DEIBRN CCCC(=O)N1CCC[C@@H](c2nnc(-c3cnc(C)nc3)o2)C1 ZINC000216658211 257232737 /nfs/dbraw/zinc/23/27/37/257232737.db2.gz ITUYYCQIYYEXKP-GFCCVEGCSA-N 0 0 315.377 2.341 40 70 DEIBRN COc1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1 ZINC000216849690 402289911 /nfs/dbraw/zinc/28/99/11/402289911.db2.gz WVZWSMXNRUBPHY-UHFFFAOYSA-N 0 0 313.405 2.289 40 70 DEIBRN CC(=O)c1cccc(Nc2cc(N3CCN(C)CC3)ncn2)c1 ZINC000216847996 402289962 /nfs/dbraw/zinc/28/99/62/402289962.db2.gz FBOULXIHBUQOEE-UHFFFAOYSA-N 0 0 311.389 2.175 40 70 DEIBRN CCOc1ccccc1Nc1cc(N2CCN(C)CC2)ncn1 ZINC000216847382 402290236 /nfs/dbraw/zinc/29/02/36/402290236.db2.gz ANSHGEUMBAXXES-UHFFFAOYSA-N 0 0 313.405 2.371 40 70 DEIBRN CN1CCN(c2cc(Nc3ccc(F)cc3F)ncn2)CC1 ZINC000216847056 402290207 /nfs/dbraw/zinc/29/02/07/402290207.db2.gz AUHHWBGETYSJCR-UHFFFAOYSA-N 0 0 305.332 2.250 40 70 DEIBRN O=C(NCCC1=CCCCC1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000217972122 402294110 /nfs/dbraw/zinc/29/41/10/402294110.db2.gz WMQBXOPJGZXDPD-IYBDPMFKSA-N 0 0 317.437 2.486 40 70 DEIBRN CN(C)C(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000216890612 282008390 /nfs/dbraw/zinc/00/83/90/282008390.db2.gz YVVDIHOTJPMEFI-UHFFFAOYSA-N 0 0 316.382 2.194 40 70 DEIBRN CN1C(=O)CS[C@@H]1c1cn(Cc2cccc(Cl)c2)nn1 ZINC000216751496 201498349 /nfs/dbraw/zinc/49/83/49/201498349.db2.gz SQHITEIZLULBQK-CYBMUJFWSA-N 0 0 308.794 2.184 40 70 DEIBRN COC(=O)c1ccc(-c2cc(C(=O)OC)ccc2C(=O)OC)o1 ZINC000216772094 539726383 /nfs/dbraw/zinc/72/63/83/539726383.db2.gz VOOVBCBWBHZWIQ-UHFFFAOYSA-N 0 0 318.281 2.306 40 70 DEIBRN Cc1cccc(-c2noc(C3CCN(S(C)(=O)=O)CC3)n2)c1 ZINC000216670515 201496256 /nfs/dbraw/zinc/49/62/56/201496256.db2.gz JHIUDGKUCRIUPV-UHFFFAOYSA-N 0 0 321.402 2.184 40 70 DEIBRN COc1ccccc1NC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000218350445 201537795 /nfs/dbraw/zinc/53/77/95/201537795.db2.gz DZKAQYXZLLNTEQ-BETUJISGSA-N 0 0 315.377 2.127 40 70 DEIBRN CN1CCC[C@@H]1c1nc(CCCNC(=O)OC(C)(C)C)no1 ZINC000218378152 257130713 /nfs/dbraw/zinc/13/07/13/257130713.db2.gz KKWSQRDGPFBALP-LLVKDONJSA-N 0 0 310.398 2.294 40 70 DEIBRN CCCC(=O)N1CCC[C@H](c2nnc(-c3cnc(C)nc3)o2)C1 ZINC000216658252 257232802 /nfs/dbraw/zinc/23/28/02/257232802.db2.gz ITUYYCQIYYEXKP-LBPRGKRZSA-N 0 0 315.377 2.341 40 70 DEIBRN Cc1nc(Nc2ccc(F)cc2)cc(N2CCN(C)CC2)n1 ZINC000216848853 402289973 /nfs/dbraw/zinc/28/99/73/402289973.db2.gz KCNRBVABYZYXPZ-UHFFFAOYSA-N 0 0 301.369 2.420 40 70 DEIBRN COc1cccc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)c1 ZINC000218108646 402295003 /nfs/dbraw/zinc/29/50/03/402295003.db2.gz WGZVGZNMAMKRAQ-BETUJISGSA-N 0 0 315.377 2.127 40 70 DEIBRN CN1C(=O)CS[C@H]1c1cn(Cc2ccccc2Cl)nn1 ZINC000216751431 563711293 /nfs/dbraw/zinc/71/12/93/563711293.db2.gz QJBNHQPEGQQALZ-ZDUSSCGKSA-N 0 0 308.794 2.184 40 70 DEIBRN COc1ccc(C)cc1Nc1cc(N2CCN(C)CC2)ncn1 ZINC000216847674 402290218 /nfs/dbraw/zinc/29/02/18/402290218.db2.gz YFLIMTBKNGGZTE-UHFFFAOYSA-N 0 0 313.405 2.289 40 70 DEIBRN Cc1cnc(C(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cn1 ZINC000217595071 402293160 /nfs/dbraw/zinc/29/31/60/402293160.db2.gz BKQWBOISOLMZDR-GOSISDBHSA-N 0 0 323.352 2.087 40 70 DEIBRN O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000218105477 402294758 /nfs/dbraw/zinc/29/47/58/402294758.db2.gz KHOMWBVSOOWTDS-CFVMTHIKSA-N 0 0 324.384 2.393 40 70 DEIBRN Cc1ccccc1-c1nnc(C2CCN(S(C)(=O)=O)CC2)o1 ZINC000216631102 333389015 /nfs/dbraw/zinc/38/90/15/333389015.db2.gz KKMSOMKHPSKGCH-UHFFFAOYSA-N 0 0 321.402 2.184 40 70 DEIBRN CCCC(=O)N1CCC(c2nnc(-c3cncnc3C)o2)CC1 ZINC000216639049 257232695 /nfs/dbraw/zinc/23/26/95/257232695.db2.gz SIUBCMIGKHHFRH-UHFFFAOYSA-N 0 0 315.377 2.341 40 70 DEIBRN Cc1ccc(-c2nnc([C@@H]3CCCN(S(C)(=O)=O)C3)o2)cc1 ZINC000216647972 257232657 /nfs/dbraw/zinc/23/26/57/257232657.db2.gz SWBXAAVZBZMHMN-CYBMUJFWSA-N 0 0 321.402 2.184 40 70 DEIBRN Cc1cnc(C(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cn1 ZINC000217595143 402293037 /nfs/dbraw/zinc/29/30/37/402293037.db2.gz BKQWBOISOLMZDR-SFHVURJKSA-N 0 0 323.352 2.087 40 70 DEIBRN COc1ccccc1NC(=O)Cc1cc(OC)c(OC)cc1N ZINC000217672672 201521810 /nfs/dbraw/zinc/52/18/10/201521810.db2.gz UQBCIWIZAQUJIA-UHFFFAOYSA-N 0 0 316.357 2.476 40 70 DEIBRN CCCC(=O)N1CCC(c2nnc(-c3cnc(C)nc3)o2)CC1 ZINC000216637711 257232672 /nfs/dbraw/zinc/23/26/72/257232672.db2.gz RLWUUCZXTRMDIZ-UHFFFAOYSA-N 0 0 315.377 2.341 40 70 DEIBRN COc1cccc(NC(=O)Cc2cc(OC)c(OC)cc2N)c1 ZINC000217672561 201521580 /nfs/dbraw/zinc/52/15/80/201521580.db2.gz UYRTXDHYDTWYGU-UHFFFAOYSA-N 0 0 316.357 2.476 40 70 DEIBRN Cc1ccc(-c2nnc([C@H]3CCCN(S(C)(=O)=O)C3)o2)cc1 ZINC000216648019 257232777 /nfs/dbraw/zinc/23/27/77/257232777.db2.gz SWBXAAVZBZMHMN-ZDUSSCGKSA-N 0 0 321.402 2.184 40 70 DEIBRN CCN1C(=O)CS[C@H]1c1cn(Cc2ccc(C)cc2)nn1 ZINC000216753202 539726388 /nfs/dbraw/zinc/72/63/88/539726388.db2.gz AOIASPYQGPWXJD-HNNXBMFYSA-N 0 0 302.403 2.229 40 70 DEIBRN COc1cccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)c1 ZINC000216849647 402290001 /nfs/dbraw/zinc/29/00/01/402290001.db2.gz ICTJSJJSYALRRP-UHFFFAOYSA-N 0 0 313.405 2.289 40 70 DEIBRN COc1ccc(OCC(=O)n2cc(C(N)=O)c3ccccc32)cc1 ZINC000216870982 201501920 /nfs/dbraw/zinc/50/19/20/201501920.db2.gz CJYCOPWGVGJXIC-UHFFFAOYSA-N 0 0 324.336 2.468 40 70 DEIBRN CCN1C(=O)CS[C@@H]1c1cn(Cc2cccc(C)c2)nn1 ZINC000216753040 539726307 /nfs/dbraw/zinc/72/63/07/539726307.db2.gz TVOHSQUJZSPTOM-OAHLLOKOSA-N 0 0 302.403 2.229 40 70 DEIBRN COC(=O)c1cccc(OC)c1OS(=O)(=O)c1ccccc1 ZINC000216783173 539726395 /nfs/dbraw/zinc/72/63/95/539726395.db2.gz CREAZTFBMULGBU-UHFFFAOYSA-N 0 0 322.338 2.250 40 70 DEIBRN COCCCc1cc(=O)[nH]c(-c2ccc3c(c2)OCCO3)n1 ZINC000217788832 257131615 /nfs/dbraw/zinc/13/16/15/257131615.db2.gz KSAQHIIFELJDDR-UHFFFAOYSA-N 0 0 302.330 2.199 40 70 DEIBRN O=C(NC(=S)N1CCOCC1)[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)CC2 ZINC000217479983 402292517 /nfs/dbraw/zinc/29/25/17/402292517.db2.gz UMSXWPSYLFTPBQ-ZZNDEYBLSA-N 0 0 322.474 2.326 40 70 DEIBRN Cc1nc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)sc1C ZINC000218113914 402294729 /nfs/dbraw/zinc/29/47/29/402294729.db2.gz UJTIVNMNXFUJGL-TXEJJXNPSA-N 0 0 320.422 2.192 40 70 DEIBRN CCN1C(=O)CS[C@H]1c1cn(Cc2cccc(C)c2)nn1 ZINC000216753079 539726371 /nfs/dbraw/zinc/72/63/71/539726371.db2.gz TVOHSQUJZSPTOM-HNNXBMFYSA-N 0 0 302.403 2.229 40 70 DEIBRN CCN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2F)nn1 ZINC000216753589 539726391 /nfs/dbraw/zinc/72/63/91/539726391.db2.gz HESXQCCDUJXIJL-CQSZACIVSA-N 0 0 306.366 2.059 40 70 DEIBRN COc1ccc(-c2nnc([C@@H]3CCCN(C(C)=O)C3)o2)cc1 ZINC000216656063 257232693 /nfs/dbraw/zinc/23/26/93/257232693.db2.gz LZLWQVKGQWVATE-CYBMUJFWSA-N 0 0 301.346 2.471 40 70 DEIBRN COc1cccc(-c2nnc([C@H]3CCCN(C(C)=O)C3)o2)c1 ZINC000216653830 257232805 /nfs/dbraw/zinc/23/28/05/257232805.db2.gz NMUOKPJXIBPCDS-ZDUSSCGKSA-N 0 0 301.346 2.471 40 70 DEIBRN COc1ccc(-c2nnc(C3CCN(C(C)=O)CC3)o2)cc1 ZINC000216636362 257232813 /nfs/dbraw/zinc/23/28/13/257232813.db2.gz QUCBGQUVTSCXRJ-UHFFFAOYSA-N 0 0 301.346 2.471 40 70 DEIBRN COc1ccc(NC(=O)Cc2cc(OC)c(OC)cc2N)cc1 ZINC000217672446 402293399 /nfs/dbraw/zinc/29/33/99/402293399.db2.gz MTDLJVTXAWPCNK-UHFFFAOYSA-N 0 0 316.357 2.476 40 70 DEIBRN COCc1nnc2sc(-c3cc(OC)cc(OC)c3)nn12 ZINC000216760621 201498214 /nfs/dbraw/zinc/49/82/14/201498214.db2.gz XELNCDZJXRQHPL-UHFFFAOYSA-N 0 0 306.347 2.016 40 70 DEIBRN CC(C)(C)[SiH2]OC(C)(C)[C@H]1CC(=O)[C@H]2OC(C)(C)O[C@H]12 ZINC000252581866 402658999 /nfs/dbraw/zinc/65/89/99/402658999.db2.gz SEDZFMTWQONWIJ-MVWJERBFSA-N 0 0 300.471 2.193 40 70 DEIBRN