smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1csc(C2([NH+]3CCCCC3)CCCCC2)c1 ZINC000000002131 342669566 /nfs/dbraw/zinc/66/95/66/342669566.db2.gz JUZZEWSCNBCFRL-UHFFFAOYSA-N 1 0 249.423 4.393 40 0 investigational BIABRO C#[N+]C1(c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000001563307 166226192 /nfs/dbraw/zinc/22/61/92/166226192.db2.gz XNBAZPXDIBUOMI-UHFFFAOYSA-N 1 0 238.354 4.301 40 0 BIABRO CCCC[C@H](CC)CSC[NH+](CC)CC ZINC000001568276 169000335 /nfs/dbraw/zinc/00/03/35/169000335.db2.gz MAOWBFZBZDYSTL-ZDUSSCGKSA-N 1 0 231.449 4.235 40 0 BIABRO CCCCN(CCCC)C(=[NH2+])c1ccccc1C ZINC000001583657 490040917 /nfs/dbraw/zinc/04/09/17/490040917.db2.gz ZBNNRYQFELSKEJ-UHFFFAOYSA-N 1 0 246.398 4.223 40 0 BIABRO C1C[C@H]2CC(=[NH+]1)CCCCCCCCC2 ZINC000001584179 397917856 /nfs/dbraw/zinc/91/78/56/397917856.db2.gz QOZANFYSPRQUCK-ZDUSSCGKSA-N 1 0 207.361 4.362 40 0 BIABRO CCCC[C@H](CC)C[NH2+]Cc1ccc(OC)cc1 ZINC000001592379 168998788 /nfs/dbraw/zinc/99/87/88/168998788.db2.gz QXOKWSXHRCGVFX-AWEZNQCLSA-N 1 0 249.398 4.001 40 0 BIABRO [NH3+][C@@H](Cc1ccccc1)c1cccc2ccccc21 ZINC000001594040 181556330 /nfs/dbraw/zinc/55/63/30/181556330.db2.gz PXMQLPWDLKAKAK-SFHVURJKSA-N 1 0 247.341 4.082 40 0 BIABRO CCCCC[N@H+](CCCC)Cc1ccccc1 ZINC000001631377 168689021 /nfs/dbraw/zinc/68/90/21/168689021.db2.gz HCVAJNPFOLKUHG-UHFFFAOYSA-N 1 0 233.399 4.479 40 0 BIABRO CCCC[NH+](CCCC)CCc1ccccc1 ZINC000001632461 383916225 /nfs/dbraw/zinc/91/62/25/383916225.db2.gz LEHSOUZQZPUDEC-UHFFFAOYSA-N 1 0 233.399 4.131 40 0 BIABRO CCCC[C@@](c1ccccc1)(C(C)C)[NH+](C)C ZINC000001632691 342706568 /nfs/dbraw/zinc/70/65/68/342706568.db2.gz GUJGJZGGYMAVLI-INIZCTEOSA-N 1 0 233.399 4.290 40 0 BIABRO C[C@H](CC1CCCCC1)[NH2+]Cc1ccccc1 ZINC000001634309 357038767 /nfs/dbraw/zinc/03/87/67/357038767.db2.gz HRXZWFXAEWDQQO-CQSZACIVSA-N 1 0 231.383 4.135 40 0 BIABRO Cc1c(C[NH+](C)C)cc(C(C)C)cc1C(C)C ZINC000001664080 342707526 /nfs/dbraw/zinc/70/75/26/342707526.db2.gz YTMGQXBXBHSSDJ-UHFFFAOYSA-N 1 0 233.399 4.303 40 0 BIABRO c1ccc2c(c1)ccc[n+]2CCC1CCCCC1 ZINC000001665301 383918006 /nfs/dbraw/zinc/91/80/06/383918006.db2.gz UGXIVIZBOWKOEO-UHFFFAOYSA-N 1 0 240.370 4.098 40 0 BIABRO C[N@@H+]1CCCC(c2ccccc2)=C1c1ccccc1 ZINC000001667031 383917857 /nfs/dbraw/zinc/91/78/57/383917857.db2.gz DTDLEZNRCYAQOB-UHFFFAOYSA-N 1 0 249.357 4.281 40 0 BIABRO C[NH+](C)CCC=C1c2ccccc2-c2ccccc21 ZINC000001670034 383918929 /nfs/dbraw/zinc/91/89/29/383918929.db2.gz VEZSADRTEPJSMU-UHFFFAOYSA-N 1 0 249.357 4.050 40 0 BIABRO CC(C)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000001670897 383920733 /nfs/dbraw/zinc/92/07/33/383920733.db2.gz XKFMSDCSNRXHIE-UHFFFAOYSA-N 1 0 223.404 4.079 40 0 BIABRO C[N@H+](CCC1CCCCC1)Cc1ccccc1 ZINC000001672196 342708130 /nfs/dbraw/zinc/70/81/30/342708130.db2.gz ZEJJOTXFCWMIPX-UHFFFAOYSA-N 1 0 231.383 4.089 40 0 BIABRO CCCCC(=[NH2+])[C@](CC)(c1ccccc1)N(C)C ZINC000001686785 188274283 /nfs/dbraw/zinc/27/42/83/188274283.db2.gz QOLTUJLLBNSSLN-INIZCTEOSA-N 1 0 246.398 4.063 40 0 BIABRO c1ccc2cc(S[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000001688804 383922863 /nfs/dbraw/zinc/92/28/63/383922863.db2.gz SSDJCPZDKFJSKF-HNNXBMFYSA-N 1 0 243.375 4.032 40 0 BIABRO CCCCCC[C@@](C)(CC)CC[NH+](C)C ZINC000001707988 342710390 /nfs/dbraw/zinc/71/03/90/342710390.db2.gz OXOUHJVTHJMKLS-CQSZACIVSA-N 1 0 213.409 4.325 40 0 BIABRO C/C=C1\CCCC[N@H+](Cc2ccccc2)CCC1 ZINC000001720363 342711231 /nfs/dbraw/zinc/71/12/31/342711231.db2.gz WPKSKDIAJLAAMQ-APQPDGGLSA-N 1 0 243.394 4.399 40 0 BIABRO C/C=C1/CCCC[N@H+](Cc2ccccc2)CCC1 ZINC000001720364 188100316 /nfs/dbraw/zinc/10/03/16/188100316.db2.gz WPKSKDIAJLAAMQ-CFZMTHNTSA-N 1 0 243.394 4.399 40 0 BIABRO CCCCC(C)(CCCC)CC[NH+](C)C ZINC000001730868 342711500 /nfs/dbraw/zinc/71/15/00/342711500.db2.gz ZSHPWFXXTMSIFS-UHFFFAOYSA-N 1 0 213.409 4.325 40 0 BIABRO CCCC(CCC)(CCC)CC[NH+](C)C ZINC000001730894 168578813 /nfs/dbraw/zinc/57/88/13/168578813.db2.gz IAOOYEHDQFPXTD-UHFFFAOYSA-N 1 0 213.409 4.325 40 0 BIABRO CCCCCC[C@](C)(CC)CC[NH+](C)C ZINC000002036618 168680627 /nfs/dbraw/zinc/68/06/27/168680627.db2.gz OXOUHJVTHJMKLS-AWEZNQCLSA-N 1 0 213.409 4.325 40 0 BIABRO c1ccc2cc(S[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000002044393 383947435 /nfs/dbraw/zinc/94/74/35/383947435.db2.gz SSDJCPZDKFJSKF-OAHLLOKOSA-N 1 0 243.375 4.032 40 0 BIABRO Cc1ccc(C)c([C@H](C)c2ccc(C)nc2)c1 ZINC000003094620 371869163 /nfs/dbraw/zinc/86/91/63/371869163.db2.gz PJZNPNOOUIVWDW-CQSZACIVSA-N 1 0 225.335 4.159 40 0 BIABRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000004777880 177086336 /nfs/dbraw/zinc/08/63/36/177086336.db2.gz BJKMDPNFQQLFEU-GEEKYZPCSA-N 1 0 237.431 4.229 40 0 BIABRO C[C@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000004777881 177079462 /nfs/dbraw/zinc/07/94/62/177079462.db2.gz BJKMDPNFQQLFEU-YHUYYLMFSA-N 1 0 237.431 4.229 40 0 BIABRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000004777882 177086088 /nfs/dbraw/zinc/08/60/88/177086088.db2.gz BJKMDPNFQQLFEU-FZKCQIBNSA-N 1 0 237.431 4.229 40 0 BIABRO C[C@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000004777883 177086017 /nfs/dbraw/zinc/08/60/17/177086017.db2.gz BJKMDPNFQQLFEU-VGWMRTNUSA-N 1 0 237.431 4.229 40 0 BIABRO CC1=C[C@@H](C)[C@H](C[NH2+]C2CCCCC2)[C@H](C)C1 ZINC000004844017 168125319 /nfs/dbraw/zinc/12/53/19/168125319.db2.gz SCIDAAFYEQBFPN-FMKPAKJESA-N 1 0 235.415 4.147 40 0 BIABRO CC1=C[C@@H](C)[C@H](C[NH2+]C2CCCCC2)[C@@H](C)C1 ZINC000004844018 168125424 /nfs/dbraw/zinc/12/54/24/168125424.db2.gz SCIDAAFYEQBFPN-YCPHGPKFSA-N 1 0 235.415 4.147 40 0 BIABRO N#[N+]c1cc2c(cc1Cl)-c1ccccc1C2=O ZINC000004886846 342753974 /nfs/dbraw/zinc/75/39/74/342753974.db2.gz VTVADVWQGXPSAH-UHFFFAOYSA-N 1 0 241.657 4.036 40 0 BIABRO CC(C)CC[NH+](CCC(C)C)[C@@H]1C=CCCC1 ZINC000004901008 166834316 /nfs/dbraw/zinc/83/43/16/166834316.db2.gz YDRUFCDYIGHFFY-MRXNPFEDSA-N 1 0 237.431 4.489 40 0 BIABRO Clc1ccc(-c2ccs[s+]2)cc1 ZINC000005217856 342760317 /nfs/dbraw/zinc/76/03/17/342760317.db2.gz UNIQYAOWNXHSET-UHFFFAOYSA-N 1 0 213.734 4.411 40 0 BIABRO CC(C)CC[NH+](CCC(C)C)[C@H]1C=CCCC1 ZINC000005453553 384115187 /nfs/dbraw/zinc/11/51/87/384115187.db2.gz YDRUFCDYIGHFFY-INIZCTEOSA-N 1 0 237.431 4.489 40 0 BIABRO CCCC[C@@H](CC)C[NH2+]Cc1ccc(OC)cc1 ZINC000005553638 168959322 /nfs/dbraw/zinc/95/93/22/168959322.db2.gz QXOKWSXHRCGVFX-CQSZACIVSA-N 1 0 249.398 4.001 40 0 BIABRO CCCC[C@](c1ccccc1)(C(C)C)[NH+](C)C ZINC000005554653 169015187 /nfs/dbraw/zinc/01/51/87/169015187.db2.gz GUJGJZGGYMAVLI-MRXNPFEDSA-N 1 0 233.399 4.290 40 0 BIABRO C1C[C@@H]2CC(=[NH+]1)CCCCCCCCC2 ZINC000005566848 342766239 /nfs/dbraw/zinc/76/62/39/342766239.db2.gz QOZANFYSPRQUCK-CYBMUJFWSA-N 1 0 207.361 4.362 40 0 BIABRO c1csc(-c2ccc3ccccc3[o+]2)c1 ZINC000005604936 346629087 /nfs/dbraw/zinc/62/90/87/346629087.db2.gz DGNKSGZXXPCCGQ-UHFFFAOYSA-N 1 0 213.281 4.442 40 0 BIABRO CCCC[C@@H](CC)CSC[NH+](CC)CC ZINC000005784308 342770054 /nfs/dbraw/zinc/77/00/54/342770054.db2.gz MAOWBFZBZDYSTL-CYBMUJFWSA-N 1 0 231.449 4.235 40 0 BIABRO c1ccc2cc3c(cc2c1)Nc1cccnc1N3 ZINC000005940433 384137989 /nfs/dbraw/zinc/13/79/89/384137989.db2.gz GQWSJOKTZNIEOL-UHFFFAOYSA-N 1 0 233.274 4.035 40 0 BIABRO C[C@@H](CC1CCCCC1)[NH2+]Cc1ccccc1 ZINC000006487064 359454827 /nfs/dbraw/zinc/45/48/27/359454827.db2.gz HRXZWFXAEWDQQO-AWEZNQCLSA-N 1 0 231.383 4.135 40 0 BIABRO [NH3+][C@H](Cc1ccccc1)c1cccc2ccccc21 ZINC000006580784 181626992 /nfs/dbraw/zinc/62/69/92/181626992.db2.gz PXMQLPWDLKAKAK-GOSISDBHSA-N 1 0 247.341 4.082 40 0 BIABRO CCCCCC[NH+](CCCC)CCCC ZINC000006655758 342780404 /nfs/dbraw/zinc/78/04/04/342780404.db2.gz KFOQAMWOIJJNFX-UHFFFAOYSA-N 1 0 213.409 4.469 40 0 BIABRO [NH3+]Cc1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000011962925 387000752 /nfs/dbraw/zinc/00/07/52/387000752.db2.gz FECRECSNUMCNBK-UHFFFAOYSA-N 1 0 249.313 4.091 40 0 BIABRO c1ccc2c(c1)cccc2C[NH+]1CCCCCC1 ZINC000014194670 136274970 /nfs/dbraw/zinc/27/49/70/136274970.db2.gz QNDZWZMLBSQXIX-UHFFFAOYSA-N 1 0 239.362 4.216 40 0 BIABRO [NH2+]=Cc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000016283848 181208009 /nfs/dbraw/zinc/20/80/09/181208009.db2.gz OVRCVYIHGIEHHY-UHFFFAOYSA-N 1 0 247.750 4.489 40 0 BIABRO CC(C)(C)c1ccc([C@@H]([NH3+])c2cccs2)cc1 ZINC000019841947 384544635 /nfs/dbraw/zinc/54/46/35/384544635.db2.gz ADERWJMDIQNWIG-CQSZACIVSA-N 1 0 245.391 4.094 40 0 BIABRO CC(C)(C)c1ccc([C@H]([NH3+])c2cccs2)cc1 ZINC000019841950 188281593 /nfs/dbraw/zinc/28/15/93/188281593.db2.gz ADERWJMDIQNWIG-AWEZNQCLSA-N 1 0 245.391 4.094 40 0 BIABRO C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1ccccc1 ZINC000019878315 385513702 /nfs/dbraw/zinc/51/37/02/385513702.db2.gz ZZXAHUZHXSXCSK-STQMWFEESA-N 1 0 243.325 4.238 40 0 BIABRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1F ZINC000019878319 347517536 /nfs/dbraw/zinc/51/75/36/347517536.db2.gz ZZXAHUZHXSXCSK-QWHCGFSZSA-N 1 0 243.325 4.238 40 0 BIABRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000019981938 342965712 /nfs/dbraw/zinc/96/57/12/342965712.db2.gz KUWSXZQQNOMBGA-KGLIPLIRSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000019981942 171345984 /nfs/dbraw/zinc/34/59/84/171345984.db2.gz KUWSXZQQNOMBGA-KBPBESRZSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000019981947 170758136 /nfs/dbraw/zinc/75/81/36/170758136.db2.gz KUWSXZQQNOMBGA-ZIAGYGMSSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000019981951 171348338 /nfs/dbraw/zinc/34/83/38/171348338.db2.gz KUWSXZQQNOMBGA-UONOGXRCSA-N 1 0 249.398 4.171 40 0 BIABRO CC[NH2+]Cc1ccc(-c2cc(Cl)ccc2C)o1 ZINC000020158640 170126560 /nfs/dbraw/zinc/12/65/60/170126560.db2.gz AEEDSLJHIKZYJM-UHFFFAOYSA-N 1 0 249.741 4.018 40 0 BIABRO C[C@@H]([NH3+])c1ccc(-c2cccc(Cl)c2)cc1 ZINC000020391205 388765408 /nfs/dbraw/zinc/76/54/08/388765408.db2.gz ABMOZZKERFDBJV-SNVBAGLBSA-N 1 0 231.726 4.027 40 0 BIABRO C[C@H]([NH3+])c1ccc(-c2cccc(Cl)c2)cc1 ZINC000020391208 371277273 /nfs/dbraw/zinc/27/72/73/371277273.db2.gz ABMOZZKERFDBJV-JTQLQIEISA-N 1 0 231.726 4.027 40 0 BIABRO CC(C)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000020547055 491097868 /nfs/dbraw/zinc/09/78/68/491097868.db2.gz HONDBVPQFINYPK-AWEZNQCLSA-N 1 0 249.398 4.028 40 0 BIABRO CC(C)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000020547056 167013666 /nfs/dbraw/zinc/01/36/66/167013666.db2.gz HONDBVPQFINYPK-CQSZACIVSA-N 1 0 249.398 4.028 40 0 BIABRO CCCC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000021016970 384644836 /nfs/dbraw/zinc/64/48/36/384644836.db2.gz JKKNCVJKWPIUHY-AWEZNQCLSA-N 1 0 249.398 4.172 40 0 BIABRO CCCC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000021016973 384646473 /nfs/dbraw/zinc/64/64/73/384646473.db2.gz JKKNCVJKWPIUHY-CQSZACIVSA-N 1 0 249.398 4.172 40 0 BIABRO CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000021988932 343032532 /nfs/dbraw/zinc/03/25/32/343032532.db2.gz UUCKZASIGJZKDT-UHFFFAOYSA-N 1 0 239.362 4.099 40 0 BIABRO CC(C)C(=[NH2+])Nc1ccc(Cl)c(Cl)c1 ZINC000031624045 343221556 /nfs/dbraw/zinc/22/15/56/343221556.db2.gz ISLCBLITDVRXMY-UHFFFAOYSA-N 1 0 231.126 4.039 40 0 BIABRO CC=C(C)C(=[NH2+])Nc1ccc(Cl)c(Cl)c1 ZINC000031628386 343221579 /nfs/dbraw/zinc/22/15/79/343221579.db2.gz CEPZRGMGLKSKKE-XVNBXDOJSA-N 1 0 243.137 4.349 40 0 BIABRO CCCCC(=[NH2+])[C@@](CC)(c1ccccc1)N(C)C ZINC000031637610 343222329 /nfs/dbraw/zinc/22/23/29/343222329.db2.gz QOLTUJLLBNSSLN-MRXNPFEDSA-N 1 0 246.398 4.063 40 0 BIABRO CCC1=C(C)/C(=C/c2[nH]c(C)cc2C)[NH+]=C1C ZINC000031938520 387507870 /nfs/dbraw/zinc/50/78/70/387507870.db2.gz JWZJUSFXXZXYIU-NVNXTCNLSA-N 1 0 228.339 4.173 40 0 BIABRO CCC1=C(C)/C(=C\c2[nH]c(C)cc2C)[NH+]=C1C ZINC000031938523 187256856 /nfs/dbraw/zinc/25/68/56/187256856.db2.gz JWZJUSFXXZXYIU-OVCLIPMQSA-N 1 0 228.339 4.173 40 0 BIABRO Cc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000031943796 178337002 /nfs/dbraw/zinc/33/70/02/178337002.db2.gz JDJSPQLJMCMXAV-UHFFFAOYSA-N 1 0 236.318 4.155 40 0 BIABRO [NH3+]C1(c2cc(Cl)cc(Cl)c2)CCCCC1 ZINC000033487372 181333622 /nfs/dbraw/zinc/33/36/22/181333622.db2.gz YGDWDZPEPPLZBM-UHFFFAOYSA-N 1 0 244.165 4.112 40 0 BIABRO CCC[NH2+][C@@H](C)c1ccc(OC2CCCC2)cc1 ZINC000034819758 169277430 /nfs/dbraw/zinc/27/74/30/169277430.db2.gz BGXGQHVSLSJEKO-ZDUSSCGKSA-N 1 0 247.382 4.069 40 0 BIABRO CCC[NH2+][C@H](C)c1ccc(OC2CCCC2)cc1 ZINC000034819760 169286702 /nfs/dbraw/zinc/28/67/02/169286702.db2.gz BGXGQHVSLSJEKO-CYBMUJFWSA-N 1 0 247.382 4.069 40 0 BIABRO CCC[NH2+][C@@H](C)c1ccccc1OC1CCCC1 ZINC000034821298 169276973 /nfs/dbraw/zinc/27/69/73/169276973.db2.gz BFULSYFYJFFEFX-ZDUSSCGKSA-N 1 0 247.382 4.069 40 0 BIABRO CCC[NH2+][C@H](C)c1ccccc1OC1CCCC1 ZINC000034821300 169286684 /nfs/dbraw/zinc/28/66/84/169286684.db2.gz BFULSYFYJFFEFX-CYBMUJFWSA-N 1 0 247.382 4.069 40 0 BIABRO CCC[NH2+][C@@H](C)c1cccc(OC2CCCC2)c1 ZINC000034822523 385290727 /nfs/dbraw/zinc/29/07/27/385290727.db2.gz LFPIIPAZKNQOLP-ZDUSSCGKSA-N 1 0 247.382 4.069 40 0 BIABRO CCC[NH2+][C@H](C)c1cccc(OC2CCCC2)c1 ZINC000034822524 385291138 /nfs/dbraw/zinc/29/11/38/385291138.db2.gz LFPIIPAZKNQOLP-CYBMUJFWSA-N 1 0 247.382 4.069 40 0 BIABRO CCCC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000036157815 169009632 /nfs/dbraw/zinc/00/96/32/169009632.db2.gz KBBJZZLDEURXIX-AWEZNQCLSA-N 1 0 205.345 4.000 40 0 BIABRO CCCC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000036157817 343310726 /nfs/dbraw/zinc/31/07/26/343310726.db2.gz KBBJZZLDEURXIX-CQSZACIVSA-N 1 0 205.345 4.000 40 0 BIABRO CCCC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037116929 388609166 /nfs/dbraw/zinc/60/91/66/388609166.db2.gz FSGHJNGANRRXPA-NSHDSACASA-N 1 0 232.154 4.183 40 0 BIABRO CCCC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037116930 388609143 /nfs/dbraw/zinc/60/91/43/388609143.db2.gz FSGHJNGANRRXPA-LLVKDONJSA-N 1 0 232.154 4.183 40 0 BIABRO c1cc([C@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000046088116 183399323 /nfs/dbraw/zinc/39/93/23/183399323.db2.gz ZBSPDJYGNYFPGE-OAHLLOKOSA-N 1 0 243.375 4.085 40 0 BIABRO c1cc([C@@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000046088118 183398133 /nfs/dbraw/zinc/39/81/33/183398133.db2.gz ZBSPDJYGNYFPGE-HNNXBMFYSA-N 1 0 243.375 4.085 40 0 BIABRO CCCC[C@H]([NH3+])c1cccc2ccccc21 ZINC000054438796 169009224 /nfs/dbraw/zinc/00/92/24/169009224.db2.gz IHZSKQTVXRXHKV-HNNXBMFYSA-N 1 0 213.324 4.030 40 0 BIABRO CCCC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000054438798 343658199 /nfs/dbraw/zinc/65/81/99/343658199.db2.gz IHZSKQTVXRXHKV-OAHLLOKOSA-N 1 0 213.324 4.030 40 0 BIABRO CC[NH2+][C@@H](CC)c1cccc(Cl)c1Cl ZINC000055224085 170143903 /nfs/dbraw/zinc/14/39/03/170143903.db2.gz UOCISACWJPFRPS-JTQLQIEISA-N 1 0 232.154 4.054 40 0 BIABRO CC[NH2+][C@H](CC)c1cccc(Cl)c1Cl ZINC000055224087 170161746 /nfs/dbraw/zinc/16/17/46/170161746.db2.gz UOCISACWJPFRPS-SNVBAGLBSA-N 1 0 232.154 4.054 40 0 BIABRO CCC[NH2+][C@@H](CC)c1cccc(Cl)c1Cl ZINC000055224107 169278124 /nfs/dbraw/zinc/27/81/24/169278124.db2.gz OLJGPGLNCCOAJP-NSHDSACASA-N 1 0 246.181 4.444 40 0 BIABRO CCC[NH2+][C@H](CC)c1cccc(Cl)c1Cl ZINC000055224109 169289084 /nfs/dbraw/zinc/28/90/84/169289084.db2.gz OLJGPGLNCCOAJP-LLVKDONJSA-N 1 0 246.181 4.444 40 0 BIABRO CC(C)CC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000055226335 343666012 /nfs/dbraw/zinc/66/60/12/343666012.db2.gz UYCLWAPCXBUSGP-LBPRGKRZSA-N 1 0 245.288 4.141 40 0 BIABRO CC(C)CC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000055226338 384877176 /nfs/dbraw/zinc/87/71/76/384877176.db2.gz UYCLWAPCXBUSGP-GFCCVEGCSA-N 1 0 245.288 4.141 40 0 BIABRO c1cc(C2CCCCC2)ccc1[C@@H]1CCC[NH2+]1 ZINC000057953383 183360278 /nfs/dbraw/zinc/36/02/78/183360278.db2.gz CDDKGFWIDDKMTE-INIZCTEOSA-N 1 0 229.367 4.159 40 0 BIABRO c1cc(C2CCCCC2)ccc1[C@H]1CCC[NH2+]1 ZINC000057953385 385089137 /nfs/dbraw/zinc/08/91/37/385089137.db2.gz CDDKGFWIDDKMTE-MRXNPFEDSA-N 1 0 229.367 4.159 40 0 BIABRO C#[N+]c1c(Cl)cc(Cl)cc1Cl ZINC000060195591 183317191 /nfs/dbraw/zinc/31/71/91/183317191.db2.gz FXJGRGSNBWBJRZ-UHFFFAOYSA-N 1 0 206.459 4.198 40 0 BIABRO c1csc([C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000061780965 323090860 /nfs/dbraw/zinc/09/08/60/323090860.db2.gz IDPGHBMSPZYCNK-CQSZACIVSA-N 1 0 243.375 4.085 40 0 BIABRO CCCC[NH2+][C@@H](C)c1ccc(OCCCC)cc1 ZINC000066181890 383851890 /nfs/dbraw/zinc/85/18/90/383851890.db2.gz IGHOACSYQZHKQS-AWEZNQCLSA-N 1 0 249.398 4.316 40 0 BIABRO CCCC[NH2+][C@H](C)c1ccc(OCCCC)cc1 ZINC000066181891 383849806 /nfs/dbraw/zinc/84/98/06/383849806.db2.gz IGHOACSYQZHKQS-CQSZACIVSA-N 1 0 249.398 4.316 40 0 BIABRO CCCC[NH2+][C@@H](C)c1ccc(O[C@@H](C)CC)cc1 ZINC000066181896 383850738 /nfs/dbraw/zinc/85/07/38/383850738.db2.gz ZDYKFYCFYGRERS-KBPBESRZSA-N 1 0 249.398 4.315 40 0 BIABRO CCCC[NH2+][C@H](C)c1ccc(O[C@@H](C)CC)cc1 ZINC000066181897 383851705 /nfs/dbraw/zinc/85/17/05/383851705.db2.gz ZDYKFYCFYGRERS-UONOGXRCSA-N 1 0 249.398 4.315 40 0 BIABRO CCCC[NH2+][C@@H](C)c1ccc(O[C@H](C)CC)cc1 ZINC000066181898 168873846 /nfs/dbraw/zinc/87/38/46/168873846.db2.gz ZDYKFYCFYGRERS-KGLIPLIRSA-N 1 0 249.398 4.315 40 0 BIABRO CCCC[NH2+][C@H](C)c1ccc(O[C@H](C)CC)cc1 ZINC000066181899 383851078 /nfs/dbraw/zinc/85/10/78/383851078.db2.gz ZDYKFYCFYGRERS-ZIAGYGMSSA-N 1 0 249.398 4.315 40 0 BIABRO CCCC[NH2+][C@@H](C)c1ccccc1OCCCC ZINC000066181948 383850780 /nfs/dbraw/zinc/85/07/80/383850780.db2.gz NWIMAMHHDUDWGO-AWEZNQCLSA-N 1 0 249.398 4.316 40 0 BIABRO CCCC[NH2+][C@H](C)c1ccccc1OCCCC ZINC000066181949 383850608 /nfs/dbraw/zinc/85/06/08/383850608.db2.gz NWIMAMHHDUDWGO-CQSZACIVSA-N 1 0 249.398 4.316 40 0 BIABRO CCCC[NH2+][C@@H](C)c1ccccc1O[C@@H](C)CC ZINC000066181954 383849837 /nfs/dbraw/zinc/84/98/37/383849837.db2.gz JZXFIVKTRXUSJS-KBPBESRZSA-N 1 0 249.398 4.315 40 0 BIABRO CCCC[NH2+][C@H](C)c1ccccc1O[C@@H](C)CC ZINC000066181955 383850682 /nfs/dbraw/zinc/85/06/82/383850682.db2.gz JZXFIVKTRXUSJS-UONOGXRCSA-N 1 0 249.398 4.315 40 0 BIABRO CCCC[NH2+][C@@H](C)c1ccccc1O[C@H](C)CC ZINC000066181956 383851971 /nfs/dbraw/zinc/85/19/71/383851971.db2.gz JZXFIVKTRXUSJS-KGLIPLIRSA-N 1 0 249.398 4.315 40 0 BIABRO CCCC[NH2+][C@H](C)c1ccccc1O[C@H](C)CC ZINC000066181957 383851963 /nfs/dbraw/zinc/85/19/63/383851963.db2.gz JZXFIVKTRXUSJS-ZIAGYGMSSA-N 1 0 249.398 4.315 40 0 BIABRO CCCC[NH2+][C@@H](C)c1ccccc1OCC(C)C ZINC000066181958 383850971 /nfs/dbraw/zinc/85/09/71/383850971.db2.gz XKHCGNUOXYROSL-AWEZNQCLSA-N 1 0 249.398 4.172 40 0 BIABRO CCCC[NH2+][C@H](C)c1ccccc1OCC(C)C ZINC000066181959 383850175 /nfs/dbraw/zinc/85/01/75/383850175.db2.gz XKHCGNUOXYROSL-CQSZACIVSA-N 1 0 249.398 4.172 40 0 BIABRO CC(C)Cc1ccc(C2([NH3+])CCCCC2)cc1 ZINC000071535637 362008503 /nfs/dbraw/zinc/00/85/03/362008503.db2.gz DRWAZYRXAHFATD-UHFFFAOYSA-N 1 0 231.383 4.003 40 0 BIABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000072221483 385106489 /nfs/dbraw/zinc/10/64/89/385106489.db2.gz PEYMSWGWPMFSPP-OAHLLOKOSA-N 1 0 247.382 4.022 40 0 BIABRO CCCC[N@@H+]1CCCC[C@H]1c1ccccc1OC ZINC000072221484 385108028 /nfs/dbraw/zinc/10/80/28/385108028.db2.gz PEYMSWGWPMFSPP-HNNXBMFYSA-N 1 0 247.382 4.022 40 0 BIABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(OC)cc1 ZINC000072221519 385106837 /nfs/dbraw/zinc/10/68/37/385106837.db2.gz YJVUIRBDIXKXLL-MRXNPFEDSA-N 1 0 247.382 4.022 40 0 BIABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(OC)cc1 ZINC000072221520 385108175 /nfs/dbraw/zinc/10/81/75/385108175.db2.gz YJVUIRBDIXKXLL-INIZCTEOSA-N 1 0 247.382 4.022 40 0 BIABRO c1coc([C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000072221567 344514892 /nfs/dbraw/zinc/51/48/92/344514892.db2.gz IOYNNNOSETYQLH-OAHLLOKOSA-N 1 0 241.334 4.007 40 0 BIABRO c1coc([C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000072221568 344514814 /nfs/dbraw/zinc/51/48/14/344514814.db2.gz IOYNNNOSETYQLH-HNNXBMFYSA-N 1 0 241.334 4.007 40 0 BIABRO c1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)co1 ZINC000072221622 259320228 /nfs/dbraw/zinc/32/02/28/259320228.db2.gz VTLBGUCBZSHKNY-MRXNPFEDSA-N 1 0 241.334 4.007 40 0 BIABRO c1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)co1 ZINC000072221623 259320388 /nfs/dbraw/zinc/32/03/88/259320388.db2.gz VTLBGUCBZSHKNY-INIZCTEOSA-N 1 0 241.334 4.007 40 0 BIABRO c1csc([C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000072221642 259320170 /nfs/dbraw/zinc/32/01/70/259320170.db2.gz IDPGHBMSPZYCNK-AWEZNQCLSA-N 1 0 243.375 4.085 40 0 BIABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccs1 ZINC000072221658 385106644 /nfs/dbraw/zinc/10/66/44/385106644.db2.gz WYACNTGGCJTKBT-GFCCVEGCSA-N 1 0 223.385 4.075 40 0 BIABRO CCCC[N@@H+]1CCCC[C@H]1c1cccs1 ZINC000072221659 385107766 /nfs/dbraw/zinc/10/77/66/385107766.db2.gz WYACNTGGCJTKBT-LBPRGKRZSA-N 1 0 223.385 4.075 40 0 BIABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccsc1 ZINC000072221698 259320090 /nfs/dbraw/zinc/32/00/90/259320090.db2.gz PTDZVVIUYKMVGV-CYBMUJFWSA-N 1 0 223.385 4.075 40 0 BIABRO CCCC[N@@H+]1CCCC[C@H]1c1ccsc1 ZINC000072221699 259319969 /nfs/dbraw/zinc/31/99/69/259319969.db2.gz PTDZVVIUYKMVGV-ZDUSSCGKSA-N 1 0 223.385 4.075 40 0 BIABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221737 259319933 /nfs/dbraw/zinc/31/99/33/259319933.db2.gz YQAKHGLJLHMBDQ-MRXNPFEDSA-N 1 0 242.366 4.105 40 0 BIABRO CCCC[N@@H+]1CCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221738 259320158 /nfs/dbraw/zinc/32/01/58/259320158.db2.gz YQAKHGLJLHMBDQ-INIZCTEOSA-N 1 0 242.366 4.105 40 0 BIABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221750 385111314 /nfs/dbraw/zinc/11/13/14/385111314.db2.gz RSEOKTINZOIUGR-MRXNPFEDSA-N 1 0 242.366 4.105 40 0 BIABRO CCC[N@@H+]1CCCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221751 385110507 /nfs/dbraw/zinc/11/05/07/385110507.db2.gz RSEOKTINZOIUGR-INIZCTEOSA-N 1 0 242.366 4.105 40 0 BIABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221752 385110271 /nfs/dbraw/zinc/11/02/71/385110271.db2.gz FFOJICNBMZFVQU-MRXNPFEDSA-N 1 0 242.366 4.103 40 0 BIABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221753 385110675 /nfs/dbraw/zinc/11/06/75/385110675.db2.gz FFOJICNBMZFVQU-INIZCTEOSA-N 1 0 242.366 4.103 40 0 BIABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072221850 259320005 /nfs/dbraw/zinc/32/00/05/259320005.db2.gz ADLZENUUNMHKFE-OAHLLOKOSA-N 1 0 235.346 4.009 40 0 BIABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072221851 259319954 /nfs/dbraw/zinc/31/99/54/259319954.db2.gz ADLZENUUNMHKFE-HNNXBMFYSA-N 1 0 235.346 4.009 40 0 BIABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072221852 259320065 /nfs/dbraw/zinc/32/00/65/259320065.db2.gz ROUGWSQAKLPEIC-OAHLLOKOSA-N 1 0 235.346 4.153 40 0 BIABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072221853 259319952 /nfs/dbraw/zinc/31/99/52/259319952.db2.gz ROUGWSQAKLPEIC-HNNXBMFYSA-N 1 0 235.346 4.153 40 0 BIABRO C#[N+]c1ccc2c(c1)c1ccccc1n2CC ZINC000095686591 183317139 /nfs/dbraw/zinc/31/71/39/183317139.db2.gz BRPASVPFNMEUQZ-UHFFFAOYSA-N 1 0 220.275 4.365 40 0 BIABRO CCCC[C@@]1([NH3+])CC[C@H](C(C)(C)C)CC1 ZINC000100009307 346403894 /nfs/dbraw/zinc/40/38/94/346403894.db2.gz YDBKGJAPGXFKAS-XBXGTLAGSA-N 1 0 211.393 4.110 40 0 BIABRO CC(C)(C)[PH+](C1=CCC=C1)C(C)(C)C ZINC000100167756 387265380 /nfs/dbraw/zinc/26/53/80/387265380.db2.gz KCSFXHZGIGZLRW-UHFFFAOYSA-N 1 0 209.293 4.110 40 0 BIABRO CC[NH+](/C=C/[C@@H](C)CCC=C(C)C)CC ZINC000100253376 384294363 /nfs/dbraw/zinc/29/43/63/384294363.db2.gz ZOFWBOFWZMFYCB-GETOMWPZSA-N 1 0 209.377 4.224 40 0 BIABRO CC[NH+](/C=C/[C@H](C)CCC=C(C)C)CC ZINC000100253378 169629013 /nfs/dbraw/zinc/62/90/13/169629013.db2.gz ZOFWBOFWZMFYCB-GCZGRYASSA-N 1 0 209.377 4.224 40 0 BIABRO C#[N+]c1cc2oc3ccccc3c2cc1OC ZINC000100404693 183316963 /nfs/dbraw/zinc/31/69/63/183316963.db2.gz KLYOHTIAQXMBJB-UHFFFAOYSA-N 1 0 223.231 4.145 40 0 BIABRO CC1=[NH+]c2ccccc2NC(c2ccccc2)=C1 ZINC000102590327 168138082 /nfs/dbraw/zinc/13/80/82/168138082.db2.gz GPHXISKSQCTTGD-UHFFFAOYSA-N 1 0 234.302 4.246 40 0 BIABRO CC1=C[C@@H](C)[C@@H](C[NH2+]C2CCCCC2)[C@H](C)C1 ZINC000102674531 168125444 /nfs/dbraw/zinc/12/54/44/168125444.db2.gz SCIDAAFYEQBFPN-IIAWOOMASA-N 1 0 235.415 4.147 40 0 BIABRO CC(C)[C@H]1C=C[C@](C)(/C=C\[NH+]2CCCC2)CC1 ZINC000104097636 188505637 /nfs/dbraw/zinc/50/56/37/188505637.db2.gz DPFLGQOTXRIKNK-UPUWXQQRSA-N 1 0 233.399 4.224 40 0 BIABRO CC(C)[C@H]1C=C[C@](C)(/C=C/[NH+]2CCCC2)CC1 ZINC000104097638 384800747 /nfs/dbraw/zinc/80/07/47/384800747.db2.gz DPFLGQOTXRIKNK-TZCWYCDXSA-N 1 0 233.399 4.224 40 0 BIABRO CC(C)[C@@H]1C=C[C@](C)(/C=C\[NH+]2CCCC2)CC1 ZINC000104097641 384799294 /nfs/dbraw/zinc/79/92/94/384799294.db2.gz DPFLGQOTXRIKNK-KLKKTORDSA-N 1 0 233.399 4.224 40 0 BIABRO CC(C)[C@@H]1C=C[C@](C)(/C=C/[NH+]2CCCC2)CC1 ZINC000104097643 384800358 /nfs/dbraw/zinc/80/03/58/384800358.db2.gz DPFLGQOTXRIKNK-FCEHDVOZSA-N 1 0 233.399 4.224 40 0 BIABRO CC[C@@H](C)N(C)c1ccc(N(C)[C@@H](C)CC)cc1 ZINC000104379647 171310239 /nfs/dbraw/zinc/31/02/39/171310239.db2.gz BJLNXEQCTFMBTH-OKILXGFUSA-N 1 0 248.414 4.156 40 0 BIABRO Cc1ccc(CC(=[NH2+])Cc2ccc(C)cc2)cc1 ZINC000169798051 188161737 /nfs/dbraw/zinc/16/17/37/188161737.db2.gz TWOYZWWNMFQEJW-UHFFFAOYSA-N 1 0 237.346 4.108 40 0 BIABRO CC(C)(C)P([NH2+][Si](C)(C)C)C(C)(C)C ZINC000196018876 259365949 /nfs/dbraw/zinc/36/59/49/259365949.db2.gz CYPVRGTXHCDMTI-UHFFFAOYSA-N 1 0 233.412 4.405 40 0 BIABRO CCCC[NH2+][C@@H](CC)c1ccccc1Cl ZINC000222635207 398124980 /nfs/dbraw/zinc/12/49/80/398124980.db2.gz MOWVFIJUQDXRJM-ZDUSSCGKSA-N 1 0 225.763 4.181 40 0 BIABRO CCCC[NH2+][C@H](CC)c1ccccc1Cl ZINC000222635267 398124918 /nfs/dbraw/zinc/12/49/18/398124918.db2.gz MOWVFIJUQDXRJM-CYBMUJFWSA-N 1 0 225.763 4.181 40 0 BIABRO CC[C@@H]([NH2+]CC(C)C)c1ccccc1Cl ZINC000222635363 170891220 /nfs/dbraw/zinc/89/12/20/170891220.db2.gz MCLIAPKOPIPAKF-CYBMUJFWSA-N 1 0 225.763 4.037 40 0 BIABRO CC[C@H]([NH2+]CC(C)C)c1ccccc1Cl ZINC000222635418 171517358 /nfs/dbraw/zinc/51/73/58/171517358.db2.gz MCLIAPKOPIPAKF-ZDUSSCGKSA-N 1 0 225.763 4.037 40 0 BIABRO CCC[NH2+]Cc1cc(C)n(C2CCCCC2)c1C ZINC000223676757 169265980 /nfs/dbraw/zinc/26/59/80/169265980.db2.gz KXSMWMZMXGADRA-UHFFFAOYSA-N 1 0 248.414 4.110 40 0 BIABRO CC(C)C[C@@](C)([NH3+])CC(C)(C)c1ccccc1 ZINC000223764230 488071515 /nfs/dbraw/zinc/07/15/15/488071515.db2.gz XZIIFTHBWVEYQL-MRXNPFEDSA-N 1 0 233.399 4.118 40 0 BIABRO CC(C)C[C@](C)([NH3+])CC(C)(C)c1ccccc1 ZINC000223764286 188357154 /nfs/dbraw/zinc/35/71/54/188357154.db2.gz XZIIFTHBWVEYQL-INIZCTEOSA-N 1 0 233.399 4.118 40 0 BIABRO CCC[C@@](C)([NH3+])CC(C)(C)c1ccc(C)cc1 ZINC000223764516 488071288 /nfs/dbraw/zinc/07/12/88/488071288.db2.gz BWUNTWAHSMNCAD-MRXNPFEDSA-N 1 0 233.399 4.180 40 0 BIABRO CCC[C@](C)([NH3+])CC(C)(C)c1ccc(C)cc1 ZINC000223764577 169548023 /nfs/dbraw/zinc/54/80/23/169548023.db2.gz BWUNTWAHSMNCAD-INIZCTEOSA-N 1 0 233.399 4.180 40 0 BIABRO Cc1ccc(C(C)(C)C[C@@](C)([NH3+])CC(C)C)cc1 ZINC000223764670 488071530 /nfs/dbraw/zinc/07/15/30/488071530.db2.gz KMHZWGHDKCICJR-KRWDZBQOSA-N 1 0 247.426 4.426 40 0 BIABRO Cc1ccc(C(C)(C)C[C@](C)([NH3+])CC(C)C)cc1 ZINC000223764733 488071168 /nfs/dbraw/zinc/07/11/68/488071168.db2.gz KMHZWGHDKCICJR-QGZVFWFLSA-N 1 0 247.426 4.426 40 0 BIABRO CC(C)[NH2+][C@@H](C)c1ccccc1OC1CCCC1 ZINC000225158601 167132070 /nfs/dbraw/zinc/13/20/70/167132070.db2.gz FPVRKZTZXWVYBB-ZDUSSCGKSA-N 1 0 247.382 4.067 40 0 BIABRO CC(C)[NH2+][C@H](C)c1ccccc1OC1CCCC1 ZINC000225158646 167138196 /nfs/dbraw/zinc/13/81/96/167138196.db2.gz FPVRKZTZXWVYBB-CYBMUJFWSA-N 1 0 247.382 4.067 40 0 BIABRO CCCCOc1ccccc1[C@@H](C)[NH2+]CC(C)C ZINC000225159208 350352879 /nfs/dbraw/zinc/35/28/79/350352879.db2.gz DQTXEUKLSHAJCQ-CQSZACIVSA-N 1 0 249.398 4.172 40 0 BIABRO CCCCOc1ccccc1[C@H](C)[NH2+]CC(C)C ZINC000225159248 350353093 /nfs/dbraw/zinc/35/30/93/350353093.db2.gz DQTXEUKLSHAJCQ-AWEZNQCLSA-N 1 0 249.398 4.172 40 0 BIABRO CC(C)C[NH2+][C@@H](C)c1ccccc1OCC(C)C ZINC000225159394 167011045 /nfs/dbraw/zinc/01/10/45/167011045.db2.gz XZUZMQOBMSKQOX-AWEZNQCLSA-N 1 0 249.398 4.028 40 0 BIABRO CC(C)C[NH2+][C@H](C)c1ccccc1OCC(C)C ZINC000225159435 167013098 /nfs/dbraw/zinc/01/30/98/167013098.db2.gz XZUZMQOBMSKQOX-CQSZACIVSA-N 1 0 249.398 4.028 40 0 BIABRO CC[C@@H](C)Oc1ccccc1[C@@H](C)[NH2+]CC(C)C ZINC000225159495 386173041 /nfs/dbraw/zinc/17/30/41/386173041.db2.gz KAQOLNJUJXJJMK-ZIAGYGMSSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)Oc1ccccc1[C@@H](C)[NH2+]CC(C)C ZINC000225159532 171357040 /nfs/dbraw/zinc/35/70/40/171357040.db2.gz KAQOLNJUJXJJMK-UONOGXRCSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@@H](C)Oc1ccccc1[C@H](C)[NH2+]CC(C)C ZINC000225159567 386172582 /nfs/dbraw/zinc/17/25/82/386172582.db2.gz KAQOLNJUJXJJMK-KGLIPLIRSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)Oc1ccccc1[C@H](C)[NH2+]CC(C)C ZINC000225159603 171356957 /nfs/dbraw/zinc/35/69/57/171356957.db2.gz KAQOLNJUJXJJMK-KBPBESRZSA-N 1 0 249.398 4.171 40 0 BIABRO CCCCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC ZINC000225159844 168921760 /nfs/dbraw/zinc/92/17/60/168921760.db2.gz ZFKOFKNSFUULNQ-UONOGXRCSA-N 1 0 249.398 4.315 40 0 BIABRO CCCCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CC ZINC000225159868 168921082 /nfs/dbraw/zinc/92/10/82/168921082.db2.gz ZFKOFKNSFUULNQ-KBPBESRZSA-N 1 0 249.398 4.315 40 0 BIABRO CCCCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CC ZINC000225159904 350352988 /nfs/dbraw/zinc/35/29/88/350352988.db2.gz ZFKOFKNSFUULNQ-ZIAGYGMSSA-N 1 0 249.398 4.315 40 0 BIABRO CCCCOc1ccccc1[C@H](C)[NH2+][C@H](C)CC ZINC000225159943 350352909 /nfs/dbraw/zinc/35/29/09/350352909.db2.gz ZFKOFKNSFUULNQ-KGLIPLIRSA-N 1 0 249.398 4.315 40 0 BIABRO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OCC(C)C ZINC000225160161 386172444 /nfs/dbraw/zinc/17/24/44/386172444.db2.gz BAUDCTWFOULCNY-KGLIPLIRSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1OCC(C)C ZINC000225160200 171346514 /nfs/dbraw/zinc/34/65/14/171346514.db2.gz BAUDCTWFOULCNY-KBPBESRZSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1OCC(C)C ZINC000225160235 386172901 /nfs/dbraw/zinc/17/29/01/386172901.db2.gz BAUDCTWFOULCNY-ZIAGYGMSSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)[NH2+][C@H](C)c1ccccc1OCC(C)C ZINC000225160272 171348175 /nfs/dbraw/zinc/34/81/75/171348175.db2.gz BAUDCTWFOULCNY-UONOGXRCSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O[C@@H](C)CC ZINC000225160332 171357309 /nfs/dbraw/zinc/35/73/09/171357309.db2.gz NWYCVQYCPIWDNB-RDBSUJKOSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1O[C@@H](C)CC ZINC000225160364 171345826 /nfs/dbraw/zinc/34/58/26/171345826.db2.gz NWYCVQYCPIWDNB-IHRRRGAJSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1O[C@@H](C)CC ZINC000225160402 171356913 /nfs/dbraw/zinc/35/69/13/171356913.db2.gz NWYCVQYCPIWDNB-HZSPNIEDSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@H](C)[NH2+][C@H](C)c1ccccc1O[C@@H](C)CC ZINC000225160440 171348138 /nfs/dbraw/zinc/34/81/38/171348138.db2.gz NWYCVQYCPIWDNB-MELADBBJSA-N 1 0 249.398 4.313 40 0 BIABRO CC(C)[NH2+][C@@H](C)c1cccc(OC2CCCC2)c1 ZINC000225163018 167133294 /nfs/dbraw/zinc/13/32/94/167133294.db2.gz HVGOVBSNKFIVCD-ZDUSSCGKSA-N 1 0 247.382 4.067 40 0 BIABRO CC(C)[NH2+][C@H](C)c1cccc(OC2CCCC2)c1 ZINC000225163059 167138223 /nfs/dbraw/zinc/13/82/23/167138223.db2.gz HVGOVBSNKFIVCD-CYBMUJFWSA-N 1 0 247.382 4.067 40 0 BIABRO CCCC[NH2+][C@@H](C)c1cccc(OCCCC)c1 ZINC000225163540 168873978 /nfs/dbraw/zinc/87/39/78/168873978.db2.gz ZIKPRDBAYXFHKB-AWEZNQCLSA-N 1 0 249.398 4.316 40 0 BIABRO CCCC[NH2+][C@H](C)c1cccc(OCCCC)c1 ZINC000225163578 386173013 /nfs/dbraw/zinc/17/30/13/386173013.db2.gz ZIKPRDBAYXFHKB-CQSZACIVSA-N 1 0 249.398 4.316 40 0 BIABRO CCCC[NH2+][C@@H](C)c1cccc(OCC(C)C)c1 ZINC000225163744 386172377 /nfs/dbraw/zinc/17/23/77/386172377.db2.gz VIKRRBSENRUNFO-AWEZNQCLSA-N 1 0 249.398 4.172 40 0 BIABRO CCCC[NH2+][C@H](C)c1cccc(OCC(C)C)c1 ZINC000225163776 386172502 /nfs/dbraw/zinc/17/25/02/386172502.db2.gz VIKRRBSENRUNFO-CQSZACIVSA-N 1 0 249.398 4.172 40 0 BIABRO CCCC[NH2+][C@@H](C)c1cccc(O[C@@H](C)CC)c1 ZINC000225163826 386173116 /nfs/dbraw/zinc/17/31/16/386173116.db2.gz WWGPCOQYEKHXCG-KBPBESRZSA-N 1 0 249.398 4.315 40 0 BIABRO CCCC[NH2+][C@H](C)c1cccc(O[C@@H](C)CC)c1 ZINC000225163865 386172277 /nfs/dbraw/zinc/17/22/77/386172277.db2.gz WWGPCOQYEKHXCG-UONOGXRCSA-N 1 0 249.398 4.315 40 0 BIABRO CCCC[NH2+][C@@H](C)c1cccc(O[C@H](C)CC)c1 ZINC000225163903 386172802 /nfs/dbraw/zinc/17/28/02/386172802.db2.gz WWGPCOQYEKHXCG-KGLIPLIRSA-N 1 0 249.398 4.315 40 0 BIABRO CCCC[NH2+][C@H](C)c1cccc(O[C@H](C)CC)c1 ZINC000225163942 386172505 /nfs/dbraw/zinc/17/25/05/386172505.db2.gz WWGPCOQYEKHXCG-ZIAGYGMSSA-N 1 0 249.398 4.315 40 0 BIABRO CCCCOc1cccc([C@@H](C)[NH2+]CC(C)C)c1 ZINC000225164119 168919380 /nfs/dbraw/zinc/91/93/80/168919380.db2.gz GHYAXKXGIBQGBS-CQSZACIVSA-N 1 0 249.398 4.172 40 0 BIABRO CCCCOc1cccc([C@H](C)[NH2+]CC(C)C)c1 ZINC000225164158 168920013 /nfs/dbraw/zinc/92/00/13/168920013.db2.gz GHYAXKXGIBQGBS-AWEZNQCLSA-N 1 0 249.398 4.172 40 0 BIABRO CC(C)C[NH2+][C@@H](C)c1cccc(OCC(C)C)c1 ZINC000225164298 187494156 /nfs/dbraw/zinc/49/41/56/187494156.db2.gz PFVKEPCIMNGEBL-AWEZNQCLSA-N 1 0 249.398 4.028 40 0 BIABRO CC(C)C[NH2+][C@H](C)c1cccc(OCC(C)C)c1 ZINC000225164328 167013695 /nfs/dbraw/zinc/01/36/95/167013695.db2.gz PFVKEPCIMNGEBL-CQSZACIVSA-N 1 0 249.398 4.028 40 0 BIABRO CC[C@@H](C)Oc1cccc([C@@H](C)[NH2+]CC(C)C)c1 ZINC000225164381 386173105 /nfs/dbraw/zinc/17/31/05/386173105.db2.gz YACGLVOIRPEMTC-ZIAGYGMSSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)Oc1cccc([C@@H](C)[NH2+]CC(C)C)c1 ZINC000225164412 171357098 /nfs/dbraw/zinc/35/70/98/171357098.db2.gz YACGLVOIRPEMTC-UONOGXRCSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@@H](C)Oc1cccc([C@H](C)[NH2+]CC(C)C)c1 ZINC000225164450 386172779 /nfs/dbraw/zinc/17/27/79/386172779.db2.gz YACGLVOIRPEMTC-KGLIPLIRSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)Oc1cccc([C@H](C)[NH2+]CC(C)C)c1 ZINC000225164487 171356712 /nfs/dbraw/zinc/35/67/12/171356712.db2.gz YACGLVOIRPEMTC-KBPBESRZSA-N 1 0 249.398 4.171 40 0 BIABRO CCCCOc1cccc([C@@H](C)[NH2+][C@@H](C)CC)c1 ZINC000225164745 350353026 /nfs/dbraw/zinc/35/30/26/350353026.db2.gz WFPNBRCZWNXCNI-UONOGXRCSA-N 1 0 249.398 4.315 40 0 BIABRO CCCCOc1cccc([C@H](C)[NH2+][C@@H](C)CC)c1 ZINC000225164778 168920179 /nfs/dbraw/zinc/92/01/79/168920179.db2.gz WFPNBRCZWNXCNI-KBPBESRZSA-N 1 0 249.398 4.315 40 0 BIABRO CCCCOc1cccc([C@@H](C)[NH2+][C@H](C)CC)c1 ZINC000225164815 350352831 /nfs/dbraw/zinc/35/28/31/350352831.db2.gz WFPNBRCZWNXCNI-ZIAGYGMSSA-N 1 0 249.398 4.315 40 0 BIABRO CCCCOc1cccc([C@H](C)[NH2+][C@H](C)CC)c1 ZINC000225165468 350352969 /nfs/dbraw/zinc/35/29/69/350352969.db2.gz WFPNBRCZWNXCNI-KGLIPLIRSA-N 1 0 249.398 4.315 40 0 BIABRO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC(C)C)c1 ZINC000225165700 170756285 /nfs/dbraw/zinc/75/62/85/170756285.db2.gz ZGUFLFKKDYJOLA-KGLIPLIRSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)[NH2+][C@@H](C)c1cccc(OCC(C)C)c1 ZINC000225165740 171346657 /nfs/dbraw/zinc/34/66/57/171346657.db2.gz ZGUFLFKKDYJOLA-KBPBESRZSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@@H](C)[NH2+][C@H](C)c1cccc(OCC(C)C)c1 ZINC000225165772 386173336 /nfs/dbraw/zinc/17/33/36/386173336.db2.gz ZGUFLFKKDYJOLA-ZIAGYGMSSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)[NH2+][C@H](C)c1cccc(OCC(C)C)c1 ZINC000225165811 171347716 /nfs/dbraw/zinc/34/77/16/171347716.db2.gz ZGUFLFKKDYJOLA-UONOGXRCSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(O[C@@H](C)CC)c1 ZINC000225165873 171356823 /nfs/dbraw/zinc/35/68/23/171356823.db2.gz XMCYJFZFXLYUIP-RDBSUJKOSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@H](C)[NH2+][C@@H](C)c1cccc(O[C@@H](C)CC)c1 ZINC000225165909 171346256 /nfs/dbraw/zinc/34/62/56/171346256.db2.gz XMCYJFZFXLYUIP-IHRRRGAJSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@@H](C)[NH2+][C@H](C)c1cccc(O[C@@H](C)CC)c1 ZINC000225165932 171357416 /nfs/dbraw/zinc/35/74/16/171357416.db2.gz XMCYJFZFXLYUIP-HZSPNIEDSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@H](C)[NH2+][C@H](C)c1cccc(O[C@@H](C)CC)c1 ZINC000225165974 171347924 /nfs/dbraw/zinc/34/79/24/171347924.db2.gz XMCYJFZFXLYUIP-MELADBBJSA-N 1 0 249.398 4.313 40 0 BIABRO CC(C)[NH2+][C@@H](C)c1ccc(OC2CCCC2)cc1 ZINC000225168162 167132619 /nfs/dbraw/zinc/13/26/19/167132619.db2.gz ABHQPHKTSKKTPK-ZDUSSCGKSA-N 1 0 247.382 4.067 40 0 BIABRO CC(C)[NH2+][C@H](C)c1ccc(OC2CCCC2)cc1 ZINC000225168198 167138282 /nfs/dbraw/zinc/13/82/82/167138282.db2.gz ABHQPHKTSKKTPK-CYBMUJFWSA-N 1 0 247.382 4.067 40 0 BIABRO CCCCOc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC000225168602 188180823 /nfs/dbraw/zinc/18/08/23/188180823.db2.gz TXZWIIMPCAJQEC-CQSZACIVSA-N 1 0 249.398 4.172 40 0 BIABRO CCCCOc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC000225168640 386172064 /nfs/dbraw/zinc/17/20/64/386172064.db2.gz TXZWIIMPCAJQEC-AWEZNQCLSA-N 1 0 249.398 4.172 40 0 BIABRO CC[C@@H](C)Oc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC000225168797 386172715 /nfs/dbraw/zinc/17/27/15/386172715.db2.gz LZQCSRWKJBIUSH-ZIAGYGMSSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)Oc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC000225168832 171356377 /nfs/dbraw/zinc/35/63/77/171356377.db2.gz LZQCSRWKJBIUSH-UONOGXRCSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@@H](C)Oc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC000225168872 386172955 /nfs/dbraw/zinc/17/29/55/386172955.db2.gz LZQCSRWKJBIUSH-KGLIPLIRSA-N 1 0 249.398 4.171 40 0 BIABRO CC[C@H](C)Oc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC000225168908 350353082 /nfs/dbraw/zinc/35/30/82/350353082.db2.gz LZQCSRWKJBIUSH-KBPBESRZSA-N 1 0 249.398 4.171 40 0 BIABRO CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000225168976 188357879 /nfs/dbraw/zinc/35/78/79/188357879.db2.gz MMYLJSXKCLQHPH-UONOGXRCSA-N 1 0 249.398 4.315 40 0 BIABRO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000225169012 386173270 /nfs/dbraw/zinc/17/32/70/386173270.db2.gz MMYLJSXKCLQHPH-KBPBESRZSA-N 1 0 249.398 4.315 40 0 BIABRO CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)CC)cc1 ZINC000225169052 187319644 /nfs/dbraw/zinc/31/96/44/187319644.db2.gz MMYLJSXKCLQHPH-ZIAGYGMSSA-N 1 0 249.398 4.315 40 0 BIABRO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)CC)cc1 ZINC000225169085 187319633 /nfs/dbraw/zinc/31/96/33/187319633.db2.gz MMYLJSXKCLQHPH-KGLIPLIRSA-N 1 0 249.398 4.315 40 0 BIABRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(O[C@@H](C)CC)cc1 ZINC000225169321 171356545 /nfs/dbraw/zinc/35/65/45/171356545.db2.gz FTOHQJDYBGJLKN-RDBSUJKOSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(O[C@@H](C)CC)cc1 ZINC000225169357 171346153 /nfs/dbraw/zinc/34/61/53/171346153.db2.gz FTOHQJDYBGJLKN-IHRRRGAJSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(O[C@@H](C)CC)cc1 ZINC000225169394 171356096 /nfs/dbraw/zinc/35/60/96/171356096.db2.gz FTOHQJDYBGJLKN-HZSPNIEDSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@H](C)[NH2+][C@H](C)c1ccc(O[C@@H](C)CC)cc1 ZINC000225169430 171348243 /nfs/dbraw/zinc/34/82/43/171348243.db2.gz FTOHQJDYBGJLKN-MELADBBJSA-N 1 0 249.398 4.313 40 0 BIABRO C[C@H]1CCCn2cc(-c3ccc(Cl)cc3)nc21 ZINC000258112687 345780313 /nfs/dbraw/zinc/78/03/13/345780313.db2.gz CDVRPOIQXIKIIN-JTQLQIEISA-N 1 0 246.741 4.101 40 0 BIABRO C[C@@H]1CCCn2cc(-c3ccc(Cl)cc3)nc21 ZINC000258112691 345779948 /nfs/dbraw/zinc/77/99/48/345779948.db2.gz CDVRPOIQXIKIIN-SNVBAGLBSA-N 1 0 246.741 4.101 40 0 BIABRO CC[C@@H](C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000260571946 323083620 /nfs/dbraw/zinc/08/36/20/323083620.db2.gz FTOHQJDYBGJLKN-BFHYXJOUSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@@H](C)Oc1ccc([C@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000260571958 323083707 /nfs/dbraw/zinc/08/37/07/323083707.db2.gz FTOHQJDYBGJLKN-MJBXVCDLSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@@H](C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC ZINC000260572325 323083628 /nfs/dbraw/zinc/08/36/28/323083628.db2.gz NWYCVQYCPIWDNB-BFHYXJOUSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@@H](C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)CC ZINC000260572330 323083633 /nfs/dbraw/zinc/08/36/33/323083633.db2.gz NWYCVQYCPIWDNB-MJBXVCDLSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@@H](C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)CC)c1 ZINC000260574396 323083751 /nfs/dbraw/zinc/08/37/51/323083751.db2.gz XMCYJFZFXLYUIP-BFHYXJOUSA-N 1 0 249.398 4.313 40 0 BIABRO CC[C@@H](C)Oc1cccc([C@H](C)[NH2+][C@@H](C)CC)c1 ZINC000260574400 323083749 /nfs/dbraw/zinc/08/37/49/323083749.db2.gz XMCYJFZFXLYUIP-MJBXVCDLSA-N 1 0 249.398 4.313 40 0 BIABRO [NH3+]CCCCCCCCCCC(F)(F)F ZINC000409444128 191132369 /nfs/dbraw/zinc/13/23/69/191132369.db2.gz ZNKSALYAFKQWMG-UHFFFAOYSA-N 1 0 225.298 4.018 40 0 BIABRO