smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)N1C[C@@H]2CCC[N@H+]3CCC[C@H]([C@@H]1CCCC(=O)[O-])[C@H]23 ZINC000072141490 191049077 /nfs/dbraw/zinc/04/90/77/191049077.db2.gz XJQCAAZUQIHHRV-FQLMCAECSA-N 0 1 324.421 2.183 1 0 DEAFMN CCCN1C[C@@H]2C(=O)CC[C@H]1CN2Cc1ccc(OC)cc1 ZINC000040379652 183057834 /nfs/dbraw/zinc/05/78/34/183057834.db2.gz VXAKKTBGYHRHTJ-DOTOQJQBSA-N 0 1 302.418 2.323 1 0 DEAFMN COc1ccc(OC)c(NC(=O)Nc2nc(CN)cs2)c1 ZINC000061895898 184193223 /nfs/dbraw/zinc/19/32/23/184193223.db2.gz VXLJNRPFJWIPIZ-UHFFFAOYSA-N 0 1 308.363 2.263 3 0 DEAFMN CCCOc1ccc(/C=C2\NC(=O)NC2=O)c(OCCC)c1 ZINC000064560808 184300096 /nfs/dbraw/zinc/30/00/96/184300096.db2.gz XIKQFNHOGDVZIJ-LCYFTJDESA-N 0 1 304.346 2.445 1 0 DEAFMN COc1cccc(-c2ccc(NC(=O)[C@@](C)(N)CO)cc2)c1 ZINC000040897939 183146983 /nfs/dbraw/zinc/14/69/83/183146983.db2.gz SAFKXDCLAPKUCP-KRWDZBQOSA-N 0 1 300.358 2.010 1 0 DEAFMN N[C@@H](CO)c1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000061908374 184194558 /nfs/dbraw/zinc/19/45/58/184194558.db2.gz HVRSMBBXSXGDCE-VIFPVBQESA-N 0 1 312.782 2.433 3 0 DEAFMN CCn1nc2c3c1cccc3C(=O)N([C@@H]1CN3CCC1CC3)C2 ZINC000066099542 184389109 /nfs/dbraw/zinc/38/91/09/184389109.db2.gz JOEZRUWANPRMKY-MRXNPFEDSA-N 0 1 310.401 2.106 1 0 DEAFMN Fc1cccc(F)c1O[C@@H](c1ccccn1)[C@@H]1CNCCO1 ZINC000040918242 183148489 /nfs/dbraw/zinc/14/84/89/183148489.db2.gz QIVITPMRYRPJPE-HOCLYGCPSA-N 0 1 306.312 2.468 1 0 DEAFMN CC[C@@H](O)c1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](O)C3 ZINC000085593595 560064985 /nfs/dbraw/zinc/06/49/85/560064985.db2.gz MACWOJWSUDQSTJ-YMTOWFKASA-N 0 1 320.341 2.016 1 0 biogenic,in-vitro DEAFMN C[C@](N)(CO)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000040891715 183146185 /nfs/dbraw/zinc/14/61/85/183146185.db2.gz PWEUJBIPJZEZON-INIZCTEOSA-N 0 1 304.321 2.266 1 0 DEAFMN CC(=O)N1CCO[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000299841970 257103871 /nfs/dbraw/zinc/10/38/71/257103871.db2.gz GSQVZLGSUVKBLL-ZBFHGGJFSA-N 0 1 308.809 2.019 1 0 DEAFMN CCCS(=O)(=O)N(C)[C@H]1CCN2CCc3ccccc3[C@H]2C1 ZINC000005836751 181288093 /nfs/dbraw/zinc/28/80/93/181288093.db2.gz LJPDFKRYOKWXMQ-DOTOQJQBSA-N 0 1 322.474 2.420 1 0 in-vitro DEAFMN CCn1nc2c3c1cccc3C(=O)N([C@H]1CN3CCC1CC3)C2 ZINC000066261891 184399691 /nfs/dbraw/zinc/39/96/91/184399691.db2.gz JOEZRUWANPRMKY-INIZCTEOSA-N 0 1 310.401 2.106 1 0 DEAFMN CC(C)C[C@@H](CO)N1CCN(CCc2ccccc2)CCC1=O ZINC000015937251 182026051 /nfs/dbraw/zinc/02/60/51/182026051.db2.gz YPZCJQYJTLLFEP-SFHVURJKSA-N 0 1 318.461 2.170 3 0 DEAFMN CC1(C)C[C@@H](c2nc3cccc(C(N)=O)c3[nH]2)C(C)(C)N1O ZINC000040894024 183146998 /nfs/dbraw/zinc/14/69/98/183146998.db2.gz VSHLSBGNWXPKGS-JTQLQIEISA-N 0 1 302.378 2.398 1 0 DEAFMN c1ccc(O[C@@H]2CC[C@@H]3[C@H]2OCCN3CC2CCOCC2)nc1 ZINC000299841775 257103550 /nfs/dbraw/zinc/10/35/50/257103550.db2.gz HYXDJXDRRHOURM-JFIYKMOQSA-N 0 1 318.417 2.119 1 0 DEAFMN COC(=O)Cc1c(C)[nH]n(-c2cc(Cl)cc(Cl)c2)c1=O ZINC000005721381 181276257 /nfs/dbraw/zinc/27/62/57/181276257.db2.gz PHQNBTLUDOHTEN-UHFFFAOYSA-N 0 1 315.156 2.496 3 0 DEAFMN CN(C)Cc1ccnc([C@H]2CCCN2Cc2ccc(F)cn2)n1 ZINC000257307800 203032459 /nfs/dbraw/zinc/03/24/59/203032459.db2.gz TUEIVJNTPUSTOS-MRXNPFEDSA-N 0 1 315.396 2.409 1 0 DEAFMN CC(C)c1cc(C(=O)N2CC[C@@H](Oc3ccccn3)C2)n[nH]1 ZINC000268804899 403115764 /nfs/dbraw/zinc/11/57/64/403115764.db2.gz ZYHBEOXHPDWBGM-GFCCVEGCSA-N 0 1 300.362 2.222 1 0 DEAFMN Nc1nc(-c2cc(F)cc(F)c2)c(Br)c(=O)[nH]1 ZINC000003653757 181044383 /nfs/dbraw/zinc/04/43/83/181044383.db2.gz DQUGTWPGVHWAGB-UHFFFAOYSA-N 0 1 302.078 2.060 1 0 DEAFMN CC1=NC(=O)N[C@@H](c2ccc(N)cc2)C1C(=O)OC1CCCC1 ZINC000040566948 183103492 /nfs/dbraw/zinc/10/34/92/183103492.db2.gz XBGZMWSCMHNIBL-HNNXBMFYSA-N 0 1 315.373 2.383 1 0 DEAFMN O=S(=O)(Cc1ccc2ccccc2c1)NCCN1CCCC1 ZINC000103249013 539437102 /nfs/dbraw/zinc/43/71/02/539437102.db2.gz MKRJHVVORFLJLF-UHFFFAOYSA-N 0 1 318.442 2.355 1 0 DEAFMN Cc1coc([C@@H](Oc2c(F)cccc2F)[C@@H]2CNCCO2)n1 ZINC000040423264 183065442 /nfs/dbraw/zinc/06/54/42/183065442.db2.gz GPVPGABIUWQWLB-JSGCOSHPSA-N 0 1 310.300 2.370 1 0 DEAFMN CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCNC4=O ZINC000040943259 183149906 /nfs/dbraw/zinc/14/99/06/183149906.db2.gz TUSYNOYQWBWIFT-IAGOWNOFSA-N 0 1 300.402 2.071 1 0 DEAFMN COc1ccc(OC)c(C[C@H]2CCc3nc(N)nc(N)c3C2)c1 ZINC000000007330 581096156 /nfs/dbraw/zinc/09/61/56/581096156.db2.gz YGCBRLOKQASAIE-SNVBAGLBSA-N 0 1 314.389 2.006 1 0 DEAFMN CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(O)c(C(=O)[O-])c1 ZINC000055392831 634644786 /nfs/dbraw/zinc/64/47/86/634644786.db2.gz UAQGVIKQZUOTTA-UHFFFAOYSA-N 0 1 317.389 2.482 1 0 DEAFMN COc1cccc(Cn2cc(C3=CCN(CCO)CC3)cn2)c1 ZINC000067714075 640627062 /nfs/dbraw/zinc/62/70/62/640627062.db2.gz FILJCRFRFDPARB-UHFFFAOYSA-N 0 1 313.401 2.021 1 0 DEAFMN CC1(C)C[C@H](c2nc3cccc(C(N)=O)c3[nH]2)C(C)(C)N1O ZINC000040894021 183147504 /nfs/dbraw/zinc/14/75/04/183147504.db2.gz VSHLSBGNWXPKGS-SNVBAGLBSA-N 0 1 302.378 2.398 1 0 DEAFMN COc1cc(NC(=O)[C@]2(C)CCCN2C)cc(OC)c1OC ZINC000061927913 184196134 /nfs/dbraw/zinc/19/61/34/184196134.db2.gz KHDQUZXTJTVBLX-INIZCTEOSA-N 0 1 308.378 2.135 3 0 DEAFMN CC(C)c1cc(C(=O)N2CC[C@H](Oc3ccccn3)C2)n[nH]1 ZINC000268804900 403115681 /nfs/dbraw/zinc/11/56/81/403115681.db2.gz ZYHBEOXHPDWBGM-LBPRGKRZSA-N 0 1 300.362 2.222 1 0 DEAFMN CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc32)CC1 ZINC000073223159 191294699 /nfs/dbraw/zinc/29/46/99/191294699.db2.gz ZULPGIJFVSVHRG-UHFFFAOYSA-N 0 1 309.373 2.224 1 0 DEAFMN S=C(Nc1ccnc2cc(Cl)ccc21)N1CCNCC1 ZINC000028950245 182546527 /nfs/dbraw/zinc/54/65/27/182546527.db2.gz SWQYRNVCAFKKHZ-UHFFFAOYSA-N 0 1 306.822 2.490 1 0 DEAFMN CCCS(=O)(=O)N(C)[C@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000014953373 560227844 /nfs/dbraw/zinc/22/78/44/560227844.db2.gz LJPDFKRYOKWXMQ-RDJZCZTQSA-N 0 1 322.474 2.420 1 0 in-vitro DEAFMN CCCN1CCO[C@@H]2c3cc(C(=O)N(C)C)ccc3CC[C@H]21 ZINC000040938776 183149511 /nfs/dbraw/zinc/14/95/11/183149511.db2.gz UDEAASQJJIGOTN-IAGOWNOFSA-N 0 1 302.418 2.487 1 0 DEAFMN Nc1ccc2c3c1cccc3C(=O)N([C@@H]1CN3CCC1CC3)C2=O ZINC000003782127 181046407 /nfs/dbraw/zinc/04/64/07/181046407.db2.gz GGQMXMGHFNPCQV-MRXNPFEDSA-N 0 1 321.380 2.112 1 0 DEAFMN CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc32)CC1 ZINC000073223164 191296316 /nfs/dbraw/zinc/29/63/16/191296316.db2.gz ICIGFIHEQAKGAX-UHFFFAOYSA-N 0 1 309.373 2.224 1 0 DEAFMN CN(C)C1(C(=O)NCCOc2ccccc2)Cc2ccccc2C1 ZINC000012003822 401778876 /nfs/dbraw/zinc/77/88/76/401778876.db2.gz QOCKPQFZQZPJDQ-UHFFFAOYSA-N 0 1 324.424 2.281 1 0 DEAFMN Nc1nc(-c2cccc(F)c2F)c(Br)c(=O)[nH]1 ZINC000003653767 181044433 /nfs/dbraw/zinc/04/44/33/181044433.db2.gz BSFOJQJGMOJFII-UHFFFAOYSA-N 0 1 302.078 2.060 1 0 DEAFMN OC1(c2ccc3c(c2)OCO3)CCN(Cc2ccccn2)CC1 ZINC000004092517 181072772 /nfs/dbraw/zinc/07/27/72/181072772.db2.gz ZIGPBNGAJFGEMT-UHFFFAOYSA-N 0 1 312.369 2.294 3 0 DEAFMN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1CN(C)C ZINC000005809701 181285913 /nfs/dbraw/zinc/28/59/13/181285913.db2.gz LCKSWSNWBPDSBZ-UHFFFAOYSA-N 0 1 306.362 2.423 1 0 DEAFMN O=C1CSC(Nc2nc3ccc4oc(=O)ccc4c3s2)=N1 ZINC000040977100 183153576 /nfs/dbraw/zinc/15/35/76/183153576.db2.gz MDIZZRFCSWNJMT-UHFFFAOYSA-N 0 1 317.351 2.444 1 0 DEAFMN O=C(NCC[C@@H]1CC(c2ccc(O)c(F)c2)=NO1)C(F)(F)F ZINC000043015867 183327912 /nfs/dbraw/zinc/32/79/12/183327912.db2.gz UCWRVTGTONITDZ-MRVPVSSYSA-N 0 1 320.242 2.093 1 0 DEAFMN COc1ccc(CN2[C@H](CO)[C@H]3c4ccccc4NC[C@H]32)cc1 ZINC000095568351 185380241 /nfs/dbraw/zinc/38/02/41/185380241.db2.gz UXXSKSIMPYZVFE-QRVBRYPASA-N 0 1 310.397 2.450 1 0 DEAFMN CC1=NC(=O)N[C@H](c2ccc(N)cc2)C1C(=O)OC1CCCC1 ZINC000040566949 183103607 /nfs/dbraw/zinc/10/36/07/183103607.db2.gz XBGZMWSCMHNIBL-OAHLLOKOSA-N 0 1 315.373 2.383 1 0 DEAFMN CCC[N@H+]1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CN(C)C4=O ZINC000040937782 183148872 /nfs/dbraw/zinc/14/88/72/183148872.db2.gz PDUUSJJPAUMGTJ-IAGOWNOFSA-N 0 1 300.402 2.370 1 0 DEAFMN CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CN(C)C4=O ZINC000040937782 183148875 /nfs/dbraw/zinc/14/88/75/183148875.db2.gz PDUUSJJPAUMGTJ-IAGOWNOFSA-N 0 1 300.402 2.370 1 0 DEAFMN O=C(NCC[C@H]1CC(c2ccc(O)c(F)c2)=NO1)C(F)(F)F ZINC000043015870 183327924 /nfs/dbraw/zinc/32/79/24/183327924.db2.gz UCWRVTGTONITDZ-QMMMGPOBSA-N 0 1 320.242 2.093 1 0 DEAFMN CCN1CCC[C@@H]1CNC(=O)c1cc(C(C)=O)ccc1OC ZINC000004626639 181130672 /nfs/dbraw/zinc/13/06/72/181130672.db2.gz SOQLNFHOYKNPDY-CQSZACIVSA-N 0 1 304.390 2.112 1 0 in-man DEAFMN COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc1ccc(C)s1 ZINC000059722016 184140000 /nfs/dbraw/zinc/14/00/00/184140000.db2.gz LCWHWYSPDUIODF-OSRDXIQISA-N 0 1 309.431 2.333 3 0 DEAFMN CN(C)Cc1ccnc([C@@H]2CCCN2Cc2ccc(F)cn2)n1 ZINC000257307799 203031399 /nfs/dbraw/zinc/03/13/99/203031399.db2.gz TUEIVJNTPUSTOS-INIZCTEOSA-N 0 1 315.396 2.409 1 0 DEAFMN CC1(C)[C@@H]2CCC3=CC4=CC(=O)OC4C[C@@H]3[C@]2(C)C[C@@H](O)[C@H]1O ZINC000070455079 560047599 /nfs/dbraw/zinc/04/75/99/560047599.db2.gz ZFNYIPCRCHUFBL-LSBKGPGRSA-N 0 1 318.413 2.353 1 0 biogenic,in-vitro DEAFMN COc1cc(CCC(=O)C=C(O)CCC[C@H](C)O)ccc1O ZINC000085627211 560068832 /nfs/dbraw/zinc/06/88/32/560068832.db2.gz DWISDGPYRHJTPX-LBPRGKRZSA-N 0 1 308.374 2.413 1 0 biogenic,in-vitro DEAFMN Nc1nc(-c2cc(F)ccc2F)c(Br)c(=O)[nH]1 ZINC000003653762 181044049 /nfs/dbraw/zinc/04/40/49/181044049.db2.gz PPJUTIWEKWGPCG-UHFFFAOYSA-N 0 1 302.078 2.060 1 0 DEAFMN CN(C)c1ccc(-c2[nH][nH]c(=O)c2NC(=O)c2ccccn2)cc1 ZINC000072141037 191048920 /nfs/dbraw/zinc/04/89/20/191048920.db2.gz ZKFZMWUGQHIQSA-UHFFFAOYSA-N 0 1 323.356 2.496 3 0 DEAFMN Cc1cc(C)cc(NS(=O)(=O)c2csc(C(N)=O)c2)c1 ZINC000006859520 181398550 /nfs/dbraw/zinc/39/85/50/181398550.db2.gz UEVNSLVAGVGDGO-UHFFFAOYSA-N 0 1 310.400 2.265 3 0 DEAFMN c1cncc(CNc2ncnc3[nH]c(-c4cccnc4)nc32)c1 ZINC000058506259 184120966 /nfs/dbraw/zinc/12/09/66/184120966.db2.gz NCOWEOAEIFRXIX-UHFFFAOYSA-N 0 1 303.329 2.422 1 0 DEAFMN CC(C)c1[nH]nc2c1CN(c1cc(NC3CC3)nc(N)n1)CC2 ZINC000067850991 648360368 /nfs/dbraw/zinc/36/03/68/648360368.db2.gz XDRFRDBNIUVKRM-UHFFFAOYSA-N 0 1 313.409 2.042 1 0 DEAFMN O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000040954086 183150421 /nfs/dbraw/zinc/15/04/21/183150421.db2.gz VHZRORPQUNCOCZ-UHFFFAOYSA-N 0 1 302.399 2.176 1 0 DEAFMN CCOC(=O)c1[nH]c2ccc(C(=O)OC)cc2c1C(=O)OCC ZINC000015935093 182025014 /nfs/dbraw/zinc/02/50/14/182025014.db2.gz SVHBWBPDAPAXOJ-UHFFFAOYSA-N 0 1 319.313 2.308 3 0 DEAFMN COc1c2c(cc3c1C[N@@H+]1CC[C@]34C=C[C@H](OC)C[C@@H]14)OCO2 ZINC000005519015 560202316 /nfs/dbraw/zinc/20/23/16/560202316.db2.gz RNEXSBPDDRJJIY-BKGUAONASA-N 0 1 315.369 2.225 1 0 biogenic,in-vitro DEAFMN COc1ccc(OC)c(C[C@@H]2CCc3nc(N)nc(N)c3C2)c1 ZINC000001654816 581096089 /nfs/dbraw/zinc/09/60/89/581096089.db2.gz YGCBRLOKQASAIE-JTQLQIEISA-N 0 1 314.389 2.006 1 0 DEAFMN N[C@H](CO)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061908090 184194755 /nfs/dbraw/zinc/19/47/55/184194755.db2.gz JPMXHECAMALSDE-SSDOTTSWSA-N 0 1 304.297 2.293 3 0 DEAFMN CCNc1nc2c(cccc2C(=O)N[C@@H]2CN3CCC2CC3)o1 ZINC000064512215 184298812 /nfs/dbraw/zinc/29/88/12/184298812.db2.gz IMXFSNJHDBFECE-CYBMUJFWSA-N 0 1 314.389 2.084 1 0 DEAFMN C[C@H]1Cn2c(=O)[nH]c3cc(N(C)C)cc(c32)CN1CC1CC1 ZINC000005930150 181297376 /nfs/dbraw/zinc/29/73/76/181297376.db2.gz JAPMWTTXDPMOLU-NSHDSACASA-N 0 1 300.406 2.010 1 0 DEAFMN CC(C)CN1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cccs1 ZINC000299841898 257103938 /nfs/dbraw/zinc/10/39/38/257103938.db2.gz BFPGFQDWCSHIEG-STQMWFEESA-N 0 1 314.476 2.241 1 0 DEAFMN Cc1nc(N)nc(N)c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000027425005 581093254 /nfs/dbraw/zinc/09/32/54/581093254.db2.gz DVMGYNDSEAONDP-UHFFFAOYSA-N 0 1 301.394 2.104 1 0 DEAFMN Nc1nc2cc3nc(NCc4cccs4)[nH]c3cc2c(=O)[nH]1 ZINC000039714908 183021804 /nfs/dbraw/zinc/02/18/04/183021804.db2.gz IQKMJWDYMFWZRF-UHFFFAOYSA-N 0 1 312.358 2.055 1 0 in-vivo DEAFMN CCCS(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000014953370 560227810 /nfs/dbraw/zinc/22/78/10/560227810.db2.gz LJPDFKRYOKWXMQ-WBVHZDCISA-N 0 1 322.474 2.420 1 0 in-vitro DEAFMN CCOC(=O)c1cc(C(=O)c2cc(F)ccc2O)coc1=N ZINC000004198737 181084638 /nfs/dbraw/zinc/08/46/38/181084638.db2.gz BZYRDOZLLGWMEW-UHFFFAOYSA-N 0 1 305.261 2.011 3 0 DEAFMN CCc1oc(=O)c(Cc2c(O)c(C)c(CC)oc2=O)c(O)c1C ZINC000015268745 401817042 /nfs/dbraw/zinc/81/70/42/401817042.db2.gz BYRZLWJKTOLLBX-UHFFFAOYSA-N 0 1 320.341 2.337 1 0 endogenous,in-man DEAFMN CC(C)Cc1[nH]nc2c1CN(c1nnnn1-c1ccccc1)CC2 ZINC000023505014 182362597 /nfs/dbraw/zinc/36/25/97/182362597.db2.gz ZBCHGBQJYHZRKY-UHFFFAOYSA-N 0 1 323.404 2.147 1 0 DEAFMN CC(=O)O[C@H]1C=C[C@@]23CC[N@@H+](Cc4cc5c(cc42)OCO5)[C@@H]3C1 ZINC000005166394 560201127 /nfs/dbraw/zinc/20/11/27/560201127.db2.gz YEIGSYFTXGPBIB-MORSLUCNSA-N 0 1 313.353 2.133 1 0 biogenic,in-vitro DEAFMN O=C(c1ccco1)N1CCC2(CN(Cc3ccncc3)C2)CC1 ZINC000003955788 181059042 /nfs/dbraw/zinc/05/90/42/181059042.db2.gz RNOMAJPQAIPWGT-UHFFFAOYSA-N 0 1 311.385 2.413 1 0 DEAFMN NC(=O)c1cccc2cn(-c3ccc(CNCCF)cc3)nc21 ZINC000049088288 183711644 /nfs/dbraw/zinc/71/16/44/183711644.db2.gz IEEWPQHRKIRYGC-UHFFFAOYSA-N 0 1 312.348 2.184 1 0 DEAFMN COc1cccc(C[C@@](O)(c2ccccc2)[C@@H]2CNCCO2)c1 ZINC000040763437 183130781 /nfs/dbraw/zinc/13/07/81/183130781.db2.gz NQBLHHIYFYAVRB-RBUKOAKNSA-N 0 1 313.397 2.114 1 0 DEAFMN N[C@@H](CO)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061908091 184194512 /nfs/dbraw/zinc/19/45/12/184194512.db2.gz JPMXHECAMALSDE-ZETCQYMHSA-N 0 1 304.297 2.293 3 0 DEAFMN CCCN1C[C@H]2C(=O)CC[C@@H]1CN2Cc1ccc(OC)cc1 ZINC000040892266 183146443 /nfs/dbraw/zinc/14/64/43/183146443.db2.gz VXAKKTBGYHRHTJ-WBVHZDCISA-N 0 1 302.418 2.323 1 0 DEAFMN O=c1[nH]c2cccc(N3CCN(Cc4ccccc4)CC3)c2[nH]1 ZINC000026648578 633406095 /nfs/dbraw/zinc/40/60/95/633406095.db2.gz MKJHGVZTPBBKML-UHFFFAOYSA-N 0 1 308.385 2.178 1 0 DEAFMN CCn1cc(C2=NCCN2)c(=O)c2ccc(-c3ccncc3)cc21 ZINC000005848327 181289122 /nfs/dbraw/zinc/28/91/22/181289122.db2.gz VAKKPMHBQGXXNS-UHFFFAOYSA-N 0 1 318.380 2.433 1 0 DEAFMN COc1ccc2nc([S@@](=O)Cc3ccccc3N)[nH]c2c1 ZINC000005854515 181289896 /nfs/dbraw/zinc/28/98/96/181289896.db2.gz HIKIVEULTGVDNI-OAQYLSRUSA-N 0 1 301.371 2.462 1 0 DEAFMN 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