smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/[NH+]=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000000297911 188099971 /nfs/dbraw/zinc/09/99/71/188099971.db2.gz VDZFUZAJHIZTTN-LICLKQGHSA-N 1 0 247.382 4.036 50 30 BIEARO C=CC[C@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000000355885 188225065 /nfs/dbraw/zinc/22/50/65/188225065.db2.gz SXNMMABRSVCDEY-HNNXBMFYSA-N 1 0 243.375 4.155 50 30 BIEARO C=CC[C@@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000000355887 355894680 /nfs/dbraw/zinc/89/46/80/355894680.db2.gz SXNMMABRSVCDEY-OAHLLOKOSA-N 1 0 243.375 4.155 50 30 BIEARO C=CC[C@H]([NH2+][C@@H](C)c1ccco1)c1ccccc1 ZINC000000355898 355894655 /nfs/dbraw/zinc/89/46/55/355894655.db2.gz KWKSNHQEOUOGQF-ZFWWWQNUSA-N 1 0 241.334 4.248 50 30 BIEARO C=CC[C@H]([NH2+][C@H](C)c1ccco1)c1ccccc1 ZINC000000355901 188225606 /nfs/dbraw/zinc/22/56/06/188225606.db2.gz KWKSNHQEOUOGQF-HIFRSBDPSA-N 1 0 241.334 4.248 50 30 BIEARO C=CC[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccccc1 ZINC000000355903 355895248 /nfs/dbraw/zinc/89/52/48/355895248.db2.gz KWKSNHQEOUOGQF-DZGCQCFKSA-N 1 0 241.334 4.248 50 30 BIEARO C=CC[C@@H]([NH2+][C@H](C)c1ccco1)c1ccccc1 ZINC000000355904 187876249 /nfs/dbraw/zinc/87/62/49/187876249.db2.gz KWKSNHQEOUOGQF-UKRRQHHQSA-N 1 0 241.334 4.248 50 30 BIEARO C=C(C)C[C@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000000355905 191943236 /nfs/dbraw/zinc/94/32/36/191943236.db2.gz HDQGWBOCKCPGSN-INIZCTEOSA-N 1 0 241.334 4.077 50 30 BIEARO C=C(C)C[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000000355908 347669513 /nfs/dbraw/zinc/66/95/13/347669513.db2.gz HDQGWBOCKCPGSN-MRXNPFEDSA-N 1 0 241.334 4.077 50 30 BIEARO CC(C)/[NH+]=C/c1ccc(-c2ccccc2)cc1 ZINC000001025349 383886933 /nfs/dbraw/zinc/88/69/33/383886933.db2.gz FVFMYDVIFAIUMD-SFQUDFHCSA-N 1 0 223.319 4.181 50 30 BIEARO C=CC[C@@H]1c2cc3ccccc3cc2C[N+]1(C)C ZINC000001247048 353106135 /nfs/dbraw/zinc/10/61/35/353106135.db2.gz LACLQVONNVVZMK-QGZVFWFLSA-N 1 0 238.354 4.047 50 30 BIEARO C=CC[C@H]1c2cc3ccccc3cc2C[N+]1(C)C ZINC000001247049 386045652 /nfs/dbraw/zinc/04/56/52/386045652.db2.gz LACLQVONNVVZMK-KRWDZBQOSA-N 1 0 238.354 4.047 50 30 BIEARO C=CC[C@@H]1[NH2+]C2(CCCCC2)Cc2ccccc21 ZINC000001322311 187364626 /nfs/dbraw/zinc/36/46/26/187364626.db2.gz AFQURPGOEXHEKR-INIZCTEOSA-N 1 0 241.378 4.152 50 30 BIEARO C=CC[C@H]1[NH2+]C2(CCCCC2)Cc2ccccc21 ZINC000001322312 353138831 /nfs/dbraw/zinc/13/88/31/353138831.db2.gz AFQURPGOEXHEKR-MRXNPFEDSA-N 1 0 241.378 4.152 50 30 BIEARO CCCCCCCCCC[n+]1ccccc1 ZINC000001672418 534983061 /nfs/dbraw/zinc/98/30/61/534983061.db2.gz MFMBELVKZWEQOM-UHFFFAOYSA-N 1 0 220.380 4.115 50 30 BIEARO CCCCCCCC[n+]1ccc2ccccc2c1 ZINC000001681190 188100249 /nfs/dbraw/zinc/10/02/49/188100249.db2.gz NILAICYBMURYBA-UHFFFAOYSA-N 1 0 242.386 4.488 50 30 BIEARO CCCCCCCCCCCC[NH+](C)C ZINC000001687260 342709143 /nfs/dbraw/zinc/70/91/43/342709143.db2.gz YWFWDNVOPHGWMX-UHFFFAOYSA-N 1 0 213.409 4.469 50 30 BIEARO CCCCCCCCCCn1ccc(=[NH2+])cc1 ZINC000001775314 534983743 /nfs/dbraw/zinc/98/37/43/534983743.db2.gz OKCJSJRJQAGPQL-UHFFFAOYSA-N 1 0 234.387 4.108 50 30 BIEARO CC#CC[N+](C)(C)CCCCCCCCCC ZINC000001793526 358722360 /nfs/dbraw/zinc/72/23/60/358722360.db2.gz CZKHLIOQQPRGJK-UHFFFAOYSA-N 1 0 238.439 4.227 50 30 BIEARO CCCCCCCC[NH2+]Cc1ccccc1 ZINC000002039354 342715205 /nfs/dbraw/zinc/71/52/05/342715205.db2.gz VRYPROVLGPMATH-UHFFFAOYSA-N 1 0 219.372 4.137 50 30 BIEARO CCCCCCCCCCCc1ncc[nH]1 ZINC000002391101 383962186 /nfs/dbraw/zinc/96/21/86/383962186.db2.gz LLEASVZEQBICSN-UHFFFAOYSA-N 1 0 222.376 4.483 50 30 BIEARO C=CC[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000002484590 355922564 /nfs/dbraw/zinc/92/25/64/355922564.db2.gz LRPZBHSJWXDRER-KRWDZBQOSA-N 1 0 237.346 4.094 50 30 BIEARO C=CC[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000002484592 355922642 /nfs/dbraw/zinc/92/26/42/355922642.db2.gz LRPZBHSJWXDRER-QGZVFWFLSA-N 1 0 237.346 4.094 50 30 BIEARO CCCCCCCC[NH2+]C1CCCCC1 ZINC000002509149 383969478 /nfs/dbraw/zinc/96/94/78/383969478.db2.gz BZOMWVINCXFIBP-UHFFFAOYSA-N 1 0 211.393 4.269 50 30 BIEARO CC[C@@H](C)c1ccc(NC2=[NH+]CCCCC2)cc1 ZINC000002638104 387975102 /nfs/dbraw/zinc/97/51/02/387975102.db2.gz DGLNGHDXGACKTI-CYBMUJFWSA-N 1 0 244.382 4.394 50 30 BIEARO CC[C@H](C)c1ccc(NC2=[NH+]CCCCC2)cc1 ZINC000002638106 387974440 /nfs/dbraw/zinc/97/44/40/387974440.db2.gz DGLNGHDXGACKTI-ZDUSSCGKSA-N 1 0 244.382 4.394 50 30 BIEARO CCCCCCC[n+]1ccc2ccccc2c1 ZINC000002897611 342727744 /nfs/dbraw/zinc/72/77/44/342727744.db2.gz WRWHJHCHJDFABB-UHFFFAOYSA-N 1 0 228.359 4.098 50 30 BIEARO CCCCCCC[n+]1cccc2ccccc21 ZINC000003168172 344547370 /nfs/dbraw/zinc/54/73/70/344547370.db2.gz RMOPMVQPLLAXRT-UHFFFAOYSA-N 1 0 228.359 4.098 50 30 BIEARO CCCCCCCC[n+]1cccc2ccccc21 ZINC000003168174 344547142 /nfs/dbraw/zinc/54/71/42/344547142.db2.gz BDWQEVUSICVXST-UHFFFAOYSA-N 1 0 242.386 4.488 50 30 BIEARO C=CC[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccco1 ZINC000003315241 188291711 /nfs/dbraw/zinc/29/17/11/188291711.db2.gz NLXVBBUYEXXZMJ-ZFWWWQNUSA-N 1 0 241.334 4.248 50 30 BIEARO C=CC[C@H]([NH2+][C@H](C)c1ccccc1)c1ccco1 ZINC000003315243 371953534 /nfs/dbraw/zinc/95/35/34/371953534.db2.gz NLXVBBUYEXXZMJ-HIFRSBDPSA-N 1 0 241.334 4.248 50 30 BIEARO C=CC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccco1 ZINC000003315245 371953023 /nfs/dbraw/zinc/95/30/23/371953023.db2.gz NLXVBBUYEXXZMJ-DZGCQCFKSA-N 1 0 241.334 4.248 50 30 BIEARO C=CC[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccco1 ZINC000003315247 371953168 /nfs/dbraw/zinc/95/31/68/371953168.db2.gz NLXVBBUYEXXZMJ-UKRRQHHQSA-N 1 0 241.334 4.248 50 30 BIEARO C=C(C)C[C@H]1[NH2+][C@@H](CC(=C)C)Cc2ccccc21 ZINC000003363269 386231418 /nfs/dbraw/zinc/23/14/18/386231418.db2.gz WQSFWWQSUZOVRQ-DOTOQJQBSA-N 1 0 241.378 4.174 50 30 BIEARO C=C(C)C[C@@H]1Cc2ccccc2[C@H](CC(=C)C)[NH2+]1 ZINC000003363273 386232819 /nfs/dbraw/zinc/23/28/19/386232819.db2.gz WQSFWWQSUZOVRQ-WBVHZDCISA-N 1 0 241.378 4.174 50 30 BIEARO Cc1ccc(N/C=[NH+]/c2ccc(C)cc2)cc1 ZINC000003661685 178359466 /nfs/dbraw/zinc/35/94/66/178359466.db2.gz RJRDSXGZKWHZIZ-UHFFFAOYSA-N 1 0 224.307 4.075 50 30 BIEARO C=C(C)CC1([NH2+]Cc2ccccc2)CCCCC1 ZINC000004008407 384910820 /nfs/dbraw/zinc/91/08/20/384910820.db2.gz ZOWKJBJSYULVIN-UHFFFAOYSA-N 1 0 243.394 4.445 50 30 BIEARO C=CCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC000004344343 342746907 /nfs/dbraw/zinc/74/69/07/342746907.db2.gz ODYSVFMFOZGGCA-UHFFFAOYSA-N 1 0 229.367 4.055 50 30 BIEARO C=CCC1([NH2+]CCc2ccccc2)CCCCC1 ZINC000004375929 385301495 /nfs/dbraw/zinc/30/14/95/385301495.db2.gz UMCZASJYJMNHFL-UHFFFAOYSA-N 1 0 243.394 4.098 50 30 BIEARO C=CC[C@@](C)([NH2+]C1CCCCC1)c1ccccc1 ZINC000004375973 347354627 /nfs/dbraw/zinc/35/46/27/347354627.db2.gz YARYWRXFXDUAPO-QGZVFWFLSA-N 1 0 243.394 4.400 50 30 BIEARO C=CC[C@](C)([NH2+]C1CCCCC1)c1ccccc1 ZINC000004375976 386781889 /nfs/dbraw/zinc/78/18/89/386781889.db2.gz YARYWRXFXDUAPO-KRWDZBQOSA-N 1 0 243.394 4.400 50 30 BIEARO C=CC[NH+](CC=C)Cc1cccc2ccccc21 ZINC000004546633 166336671 /nfs/dbraw/zinc/33/66/71/166336671.db2.gz GTAFFVPMSOPZBG-UHFFFAOYSA-N 1 0 237.346 4.014 50 30 BIEARO C=CCC1([NH2+]C2CCCCC2)CCCCC1 ZINC000004644098 134858727 /nfs/dbraw/zinc/85/87/27/134858727.db2.gz FKEWHTFXPAIAFY-UHFFFAOYSA-N 1 0 221.388 4.188 50 30 BIEARO CSc1ccc([S@+](C)c2ccccc2)cc1 ZINC000005018300 342756668 /nfs/dbraw/zinc/75/66/68/342756668.db2.gz VXDVFUCVNLIZSS-INIZCTEOSA-N 1 0 247.408 4.075 50 30 BIEARO C=C(C)C[C@@H]1Cc2ccccc2[C@@H](CC(=C)C)[NH2+]1 ZINC000005517844 386813860 /nfs/dbraw/zinc/81/38/60/386813860.db2.gz WQSFWWQSUZOVRQ-NVXWUHKLSA-N 1 0 241.378 4.174 50 30 BIEARO C=C(C)C[C@H]1Cc2ccccc2[C@H](CC(=C)C)[NH2+]1 ZINC000005829069 188225444 /nfs/dbraw/zinc/22/54/44/188225444.db2.gz WQSFWWQSUZOVRQ-RDJZCZTQSA-N 1 0 241.378 4.174 50 30 BIEARO CCCCCCCCCCCCOCCC[NH3+] ZINC000008214595 384195801 /nfs/dbraw/zinc/19/58/01/384195801.db2.gz ZRJOUVOXPWNFOF-UHFFFAOYSA-N 1 0 243.435 4.273 50 30 in-man BIEARO Cc1ccc(NC2=[NH+]c3ccccc3CC2)cc1 ZINC000016662356 178360177 /nfs/dbraw/zinc/36/01/77/178360177.db2.gz DSRZSUVDGCYFCT-UHFFFAOYSA-N 1 0 236.318 4.083 50 30 BIEARO C(=C/c1ccccc1)\C=N\c1ccccc1 ZINC000016978938 187251545 /nfs/dbraw/zinc/25/15/45/187251545.db2.gz RGKOSCNIXIHSDE-NJKRNUQASA-N 1 0 207.276 4.102 50 30 BIEARO CSc1ccc([S@@+](C)c2ccccc2)cc1 ZINC000025757911 175579233 /nfs/dbraw/zinc/57/92/33/175579233.db2.gz VXDVFUCVNLIZSS-MRXNPFEDSA-N 1 0 247.408 4.075 50 30 BIEARO C/C(=[NH+]\[C@H](C)c1ccccc1)c1ccccc1 ZINC000034591214 323235406 /nfs/dbraw/zinc/23/54/06/323235406.db2.gz HXVFIDKQGMXDOK-UDIPDBSGSA-N 1 0 223.319 4.257 50 30 BIEARO CCCC[S+](CCCC)CCCC ZINC000038322279 169015947 /nfs/dbraw/zinc/01/59/47/169015947.db2.gz XDQXIEKWEFUDFK-UHFFFAOYSA-N 1 0 203.415 4.005 50 30 BIEARO C[N+](C)(C)CCCCCCCCCCCS ZINC000040880076 384167874 /nfs/dbraw/zinc/16/78/74/384167874.db2.gz JIGFLAFZCXIKIU-UHFFFAOYSA-O 1 0 246.484 4.133 50 30 BIEARO CC1(C)[C@H]2CC[C@]1(C)/C(=[NH+]/Cc1ccccc1)C2 ZINC000044125947 343492545 /nfs/dbraw/zinc/49/25/45/343492545.db2.gz YPFVDNFUFBEQPQ-PDYTYONCSA-N 1 0 241.378 4.474 50 30 BIEARO C=CC[N@@H+](Cc1cccc(Cl)c1)C1CCCC1 ZINC000048286893 166345989 /nfs/dbraw/zinc/34/59/89/166345989.db2.gz JGOPHEDJKPTPFG-UHFFFAOYSA-N 1 0 249.785 4.271 50 30 BIEARO C=CC[N@@H+](Cc1ccc(Cl)cc1)C1CCCC1 ZINC000048288840 166347017 /nfs/dbraw/zinc/34/70/17/166347017.db2.gz SFTAXKVLWFJXSG-UHFFFAOYSA-N 1 0 249.785 4.271 50 30 BIEARO CC[P+](C)(C)C12CC3CC(CC(C3)C1)C2 ZINC000049575600 356489245 /nfs/dbraw/zinc/48/92/45/356489245.db2.gz FNFSNZIEDFQAIC-UHFFFAOYSA-N 1 0 225.336 4.252 50 30 BIEARO CCCCCCC[NH2+]Cc1cccc(C)c1 ZINC000059055182 520057641 /nfs/dbraw/zinc/05/76/41/520057641.db2.gz CKOCZSOCUJDSTR-UHFFFAOYSA-N 1 0 219.372 4.055 50 30 BIEARO CCCCCCCC[NH2+]Cc1cccc(C)c1 ZINC000059055222 520037918 /nfs/dbraw/zinc/03/79/18/520037918.db2.gz NBCHXHVEGCKAEA-UHFFFAOYSA-N 1 0 233.399 4.445 50 30 BIEARO CC[P+](CC)(CC)Cc1ccccc1 ZINC000059381182 386748713 /nfs/dbraw/zinc/74/87/13/386748713.db2.gz VHTDHSVPBYDDAM-UHFFFAOYSA-N 1 0 209.293 4.264 50 30 BIEARO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000072270848 384902402 /nfs/dbraw/zinc/90/24/02/384902402.db2.gz VQSQLTLEAQCSDX-CQSZACIVSA-N 1 0 235.758 4.053 50 30 BIEARO C=C(C)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000072270849 384901966 /nfs/dbraw/zinc/90/19/66/384901966.db2.gz VQSQLTLEAQCSDX-AWEZNQCLSA-N 1 0 235.758 4.053 50 30 BIEARO CCCCCCCCCCCC[NH2+]CCC#N ZINC000095698151 384386855 /nfs/dbraw/zinc/38/68/55/384386855.db2.gz DKRQDOPNZFOLQD-UHFFFAOYSA-N 1 0 238.419 4.411 50 30 BIEARO CCCCCCCC[NH2+][C@@H]1COc2ccccc21 ZINC000095749519 520038269 /nfs/dbraw/zinc/03/82/69/520038269.db2.gz FUMHINSMLBDDDR-OAHLLOKOSA-N 1 0 247.382 4.070 50 30 BIEARO CCCCCCCC[NH2+][C@H]1COc2ccccc21 ZINC000095749520 520037017 /nfs/dbraw/zinc/03/70/17/520037017.db2.gz FUMHINSMLBDDDR-HNNXBMFYSA-N 1 0 247.382 4.070 50 30 BIEARO CCCCCCC[NH2+]Cc1ccc(C)s1 ZINC000097941733 520058614 /nfs/dbraw/zinc/05/86/14/520058614.db2.gz KPQGAWVBEGAHQG-UHFFFAOYSA-N 1 0 225.401 4.117 50 30 BIEARO CCCCCCC[NH2+]Cc1sccc1C ZINC000097941734 520060003 /nfs/dbraw/zinc/06/00/03/520060003.db2.gz SBJPUDQFFFAHLF-UHFFFAOYSA-N 1 0 225.401 4.117 50 30 BIEARO CCCCCCCC[NH2+]CCc1ccccc1 ZINC000097949399 520034889 /nfs/dbraw/zinc/03/48/89/520034889.db2.gz IPCWLAWINISDKI-UHFFFAOYSA-N 1 0 233.399 4.179 50 30 BIEARO CCCCCCCCCCCCC(N)=[NH2+] ZINC000097973035 384387492 /nfs/dbraw/zinc/38/74/92/384387492.db2.gz XIPGMFPOJMNLBG-UHFFFAOYSA-N 1 0 212.381 4.233 50 30 BIEARO CCCCCCCCCCCSC(N)=[NH2+] ZINC000097973038 344041976 /nfs/dbraw/zinc/04/19/76/344041976.db2.gz KBGJPHYEPICICD-UHFFFAOYSA-N 1 0 230.421 4.144 50 30 BIEARO CCCCCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000098009748 187457204 /nfs/dbraw/zinc/45/72/04/187457204.db2.gz UUZNMPPAZUXXNU-OAHLLOKOSA-N 1 0 233.399 4.350 50 30 BIEARO CCCCCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000098009749 384586773 /nfs/dbraw/zinc/58/67/73/384586773.db2.gz UUZNMPPAZUXXNU-HNNXBMFYSA-N 1 0 233.399 4.350 50 30 BIEARO CCCCCCC[NH2+]Cc1ccccc1C ZINC000100027104 188322235 /nfs/dbraw/zinc/32/22/35/188322235.db2.gz RBVRZZQGXXIBPD-UHFFFAOYSA-N 1 0 219.372 4.055 50 30 BIEARO CCCCCCC[NH2+]Cc1ccccc1Cl ZINC000100027119 384610409 /nfs/dbraw/zinc/61/04/09/384610409.db2.gz AATLHFWCPITESS-UHFFFAOYSA-N 1 0 239.790 4.400 50 30 BIEARO CCCCCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000100027123 200681919 /nfs/dbraw/zinc/68/19/19/200681919.db2.gz OQSCSDYZFBZJIN-UHFFFAOYSA-N 1 0 239.790 4.400 50 30 BIEARO CCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC000100027168 384610299 /nfs/dbraw/zinc/61/02/99/384610299.db2.gz RDMOZWNRZMHRTK-UHFFFAOYSA-N 1 0 219.372 4.055 50 30 BIEARO CCCCCCC[NH2+]CC1CCCCC1 ZINC000100027191 520055567 /nfs/dbraw/zinc/05/55/67/520055567.db2.gz IIMJCORLBNACMC-UHFFFAOYSA-N 1 0 211.393 4.127 50 30 BIEARO CCCCCCC[NH2+]Cc1cccc(Cl)c1 ZINC000100027241 520057117 /nfs/dbraw/zinc/05/71/17/520057117.db2.gz CWMXRCTYCKIBSL-UHFFFAOYSA-N 1 0 239.790 4.400 50 30 BIEARO CCCCCCC[NH2+]Cc1ccc(OCC)cc1 ZINC000100027261 384611146 /nfs/dbraw/zinc/61/11/46/384611146.db2.gz OALDPFMOBPSUDL-UHFFFAOYSA-N 1 0 249.398 4.145 50 30 BIEARO CCCCCCC[NH2+]Cc1ccccc1OCC ZINC000100027271 200681939 /nfs/dbraw/zinc/68/19/39/200681939.db2.gz HMOYTDMNLKRXBV-UHFFFAOYSA-N 1 0 249.398 4.145 50 30 BIEARO CCCCCCC[NH2+]Cc1cccc(OCC)c1 ZINC000100027345 188503090 /nfs/dbraw/zinc/50/30/90/188503090.db2.gz AHMIXBQUSRIHGW-UHFFFAOYSA-N 1 0 249.398 4.145 50 30 BIEARO CCCCCCCC[NH2+]Cc1cccs1 ZINC000100032533 520036892 /nfs/dbraw/zinc/03/68/92/520036892.db2.gz ZSICCSOZVDKTNF-UHFFFAOYSA-N 1 0 225.401 4.198 50 30 BIEARO CCCCCCCC[NH2+]Cc1ccc(OC)cc1 ZINC000100042577 168652761 /nfs/dbraw/zinc/65/27/61/168652761.db2.gz UKKOXMAHWGRUCH-UHFFFAOYSA-N 1 0 249.398 4.145 50 30 BIEARO CCCCCCCC[NH2+]Cc1cccc(OC)c1 ZINC000100048910 520037332 /nfs/dbraw/zinc/03/73/32/520037332.db2.gz ZYZQSHCKYOLYJL-UHFFFAOYSA-N 1 0 249.398 4.145 50 30 BIEARO CCCCCCCC[NH2+]Cc1ccccc1OC ZINC000100048941 520037372 /nfs/dbraw/zinc/03/73/72/520037372.db2.gz YZEIZGGIRVRCKX-UHFFFAOYSA-N 1 0 249.398 4.145 50 30 BIEARO CCCCCCCCCCCCC[C@H]([NH3+])CO ZINC000100924896 168649459 /nfs/dbraw/zinc/64/94/59/168649459.db2.gz BXNJVABOESKYKV-HNNXBMFYSA-N 1 0 243.435 4.007 50 30 BIEARO CCCCCCCCCCCCC[C@@H]([NH3+])CO ZINC000100924897 168649351 /nfs/dbraw/zinc/64/93/51/168649351.db2.gz BXNJVABOESKYKV-OAHLLOKOSA-N 1 0 243.435 4.007 50 30 BIEARO CCCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC000101759805 384689339 /nfs/dbraw/zinc/68/93/39/384689339.db2.gz NGVAQUAJHPVMCQ-UHFFFAOYSA-N 1 0 237.362 4.276 50 30 BIEARO CCCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC000101759824 384689198 /nfs/dbraw/zinc/68/91/98/384689198.db2.gz ROBYAETYBMMTQN-UHFFFAOYSA-N 1 0 233.399 4.445 50 30 BIEARO CCCCCCCC[NH2+]Cc1ccccc1F ZINC000101759846 520038043 /nfs/dbraw/zinc/03/80/43/520038043.db2.gz ATYZTVIUMIFJKH-UHFFFAOYSA-N 1 0 237.362 4.276 50 30 BIEARO CCCCCCCC[NH2+]Cc1ccccc1C ZINC000102561676 168653334 /nfs/dbraw/zinc/65/33/34/168653334.db2.gz MLCPWKVYBAWRFC-UHFFFAOYSA-N 1 0 233.399 4.445 50 30 BIEARO CCCCCCC[NH2+]Cc1ccc(CC)cc1 ZINC000102568132 384716401 /nfs/dbraw/zinc/71/64/01/384716401.db2.gz IFLVPQLTCDGZAS-UHFFFAOYSA-N 1 0 233.399 4.309 50 30 BIEARO CCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC000104148919 520055539 /nfs/dbraw/zinc/05/55/39/520055539.db2.gz HLABRSDAKCVPLA-JLHYYAGUSA-N 1 0 231.383 4.260 50 30 BIEARO CCCCCCCC[NH2+]Cc1ccsc1 ZINC000105344452 520037200 /nfs/dbraw/zinc/03/72/00/520037200.db2.gz QZFHPNQEXFGJQJ-UHFFFAOYSA-N 1 0 225.401 4.198 50 30 BIEARO CCCCCCCC[NH2+]Cc1ccc(C)o1 ZINC000105807483 520037780 /nfs/dbraw/zinc/03/77/80/520037780.db2.gz IUXSZMDSAPVHJO-UHFFFAOYSA-N 1 0 223.360 4.038 50 30 BIEARO C#CCCCC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000170591545 388238206 /nfs/dbraw/zinc/23/82/06/388238206.db2.gz RLRKFOUAIDRNOE-HNNXBMFYSA-N 1 0 249.785 4.184 50 30 BIEARO C#CCCCC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000170591546 188251901 /nfs/dbraw/zinc/25/19/01/188251901.db2.gz RLRKFOUAIDRNOE-OAHLLOKOSA-N 1 0 249.785 4.184 50 30 BIEARO CC(=CNc1ccccc1)C=[NH+]c1ccccc1 ZINC000252679543 366260525 /nfs/dbraw/zinc/26/05/25/366260525.db2.gz NYZASXWCZPJELC-OOTFFAMFSA-N 1 0 236.318 4.405 50 30 BIEARO CC(=CNc1ccccc1)C=[NH+]c1ccccc1 ZINC000606443388 372103151 /nfs/dbraw/zinc/10/31/51/372103151.db2.gz NYZASXWCZPJELC-JLNDKSMGSA-N 1 0 236.318 4.405 50 30 BIEARO