smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]Cc1ccccc1)c1ccccc1O ZINC000000099316 383828058 /nfs/dbraw/zinc/82/80/58/383828058.db2.gz FBTVDHXMECQFOR-LBPRGKRZSA-N 1 0 227.307 3.243 50 10 BGCARO C[C@@H]([NH2+]Cc1ccccc1)c1ccccc1O ZINC000000099319 342674468 /nfs/dbraw/zinc/67/44/68/342674468.db2.gz FBTVDHXMECQFOR-GFCCVEGCSA-N 1 0 227.307 3.243 50 10 BGCARO CN1c2ccccc2C=C/C1=C\c1cccc[n+]1C ZINC000000174527 132313064 /nfs/dbraw/zinc/31/30/64/132313064.db2.gz CJHYGHGGNLPZTC-UHFFFAOYSA-N 1 0 249.337 3.015 50 10 BGCARO CCC[N@@H+](Cc1ccccc1O)CC1CC1 ZINC000000216382 169179377 /nfs/dbraw/zinc/17/93/77/169179377.db2.gz PMTJSQCKTOSXAN-UHFFFAOYSA-N 1 0 219.328 3.014 50 10 BGCARO CN(C)c1ccc(/C=C/C[NH+]2CCCCC2)cc1 ZINC000000217823 322809034 /nfs/dbraw/zinc/80/90/34/322809034.db2.gz NIHIUSZWZIYLQB-VOTSOKGWSA-N 1 0 244.382 3.252 50 10 BGCARO C[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000000278054 383851783 /nfs/dbraw/zinc/85/17/83/383851783.db2.gz JHUBRCDHFNSCKX-UHFFFAOYSA-N 1 0 227.307 3.024 50 10 BGCARO CCC[N@@H+](Cc1ccc(N(C)C)cc1)CC1CC1 ZINC000000278373 169176173 /nfs/dbraw/zinc/17/61/73/169176173.db2.gz KQFMXAMPXFPZGH-UHFFFAOYSA-N 1 0 246.398 3.375 50 10 BGCARO COc1ccc(C[NH2+]C2CCCC2)cc1C ZINC000000293196 175106164 /nfs/dbraw/zinc/10/61/64/175106164.db2.gz BTBKZZCPEWBOBI-UHFFFAOYSA-N 1 0 219.328 3.036 50 10 BGCARO CN(C)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000000294150 342682401 /nfs/dbraw/zinc/68/24/01/342682401.db2.gz CYXAYBJLXBBWIO-UHFFFAOYSA-N 1 0 232.371 3.129 50 10 BGCARO CCN(CC)c1ccc(C[NH2+]C(C)C)cc1 ZINC000000342749 188099855 /nfs/dbraw/zinc/09/98/55/188099855.db2.gz JRSVVSNIAAVGPJ-UHFFFAOYSA-N 1 0 220.360 3.031 50 10 BGCARO CN(C)c1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000000360134 342684991 /nfs/dbraw/zinc/68/49/91/342684991.db2.gz NPWPTSDBHAXOPM-UHFFFAOYSA-N 1 0 246.379 3.104 50 10 BGCARO COc1ccc2c(c1)C(C)=CC(C)(C)[N+]2(C)C ZINC000000392715 175206995 /nfs/dbraw/zinc/20/69/95/175206995.db2.gz CXJSKFZAWZGBDL-UHFFFAOYSA-N 1 0 232.347 3.458 50 10 BGCARO Oc1ccc2ccccc2c1C[NH+]1CCCC1 ZINC000000548724 183284199 /nfs/dbraw/zinc/28/41/99/183284199.db2.gz YRXPWVCSCXEVLJ-UHFFFAOYSA-N 1 0 227.307 3.141 50 10 BGCARO CC[NH+](CC)Cc1c(O)ccc2ccccc21 ZINC000000552014 342690106 /nfs/dbraw/zinc/69/01/06/342690106.db2.gz WXECJRDZWHLBGJ-UHFFFAOYSA-N 1 0 229.323 3.387 50 10 BGCARO Oc1ccccc1C[NH+]1CCCCCCC1 ZINC000000757278 183302496 /nfs/dbraw/zinc/30/24/96/183302496.db2.gz QMFYGYIZJLZDGL-UHFFFAOYSA-N 1 0 219.328 3.158 50 10 BGCARO CN(C)c1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000000784582 490040045 /nfs/dbraw/zinc/04/00/45/490040045.db2.gz RIGVUXXPGPTPSL-UHFFFAOYSA-N 1 0 240.350 3.042 50 10 BGCARO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(N)cc1 ZINC000000801301 177116691 /nfs/dbraw/zinc/11/66/91/177116691.db2.gz OXTPGYNBWHJWOR-TXEJJXNPSA-N 1 0 218.344 3.032 50 10 BGCARO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(N)cc1 ZINC000000801304 177132656 /nfs/dbraw/zinc/13/26/56/177132656.db2.gz OXTPGYNBWHJWOR-RYUDHWBXSA-N 1 0 218.344 3.032 50 10 BGCARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC000000818809 342693397 /nfs/dbraw/zinc/69/33/97/342693397.db2.gz MVPDGGMRKWOGHJ-AWEZNQCLSA-N 1 0 218.344 3.033 50 10 BGCARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC000000818810 342693375 /nfs/dbraw/zinc/69/33/75/342693375.db2.gz MVPDGGMRKWOGHJ-CQSZACIVSA-N 1 0 218.344 3.033 50 10 BGCARO Oc1ccc(Cl)cc1C[NH+]1CCCCC1 ZINC000001646646 183273024 /nfs/dbraw/zinc/27/30/24/183273024.db2.gz GVAMPYVXAAFYCE-UHFFFAOYSA-N 1 0 225.719 3.032 50 10 BGCARO CCCC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000001655459 383918048 /nfs/dbraw/zinc/91/80/48/383918048.db2.gz NVUUVZRJYNYVSZ-UHFFFAOYSA-N 1 0 234.387 3.423 50 10 BGCARO C[NH+](C)Cc1cccc(-c2ccccc2)c1O ZINC000001706335 342710150 /nfs/dbraw/zinc/71/01/50/342710150.db2.gz VZYZVFMYGFDIIG-UHFFFAOYSA-N 1 0 227.307 3.121 50 10 BGCARO CC[NH+](CC)Cc1ccc2ccccc2c1O ZINC000001849777 351571728 /nfs/dbraw/zinc/57/17/28/351571728.db2.gz COYDEDXBCPJSSN-UHFFFAOYSA-N 1 0 229.323 3.387 50 10 BGCARO CC[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000002489806 587759190 /nfs/dbraw/zinc/75/91/90/587759190.db2.gz MRCLFERJXYCKON-UHFFFAOYSA-N 1 0 241.334 3.414 50 10 BGCARO Oc1cc2ccccc2cc1[C@H]1CCCC[NH2+]1 ZINC000002534107 183263426 /nfs/dbraw/zinc/26/34/26/183263426.db2.gz ODOBBSAHXGCTIL-CQSZACIVSA-N 1 0 227.307 3.360 50 10 BGCARO CCN(CC)c1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000002582645 383980325 /nfs/dbraw/zinc/98/03/25/383980325.db2.gz AHYQFPGRKUEUNH-HNNXBMFYSA-N 1 0 232.371 3.347 50 10 BGCARO C[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000002650148 383981093 /nfs/dbraw/zinc/98/10/93/383981093.db2.gz BYIZBEHMSPRAPK-LBPRGKRZSA-N 1 0 227.307 3.243 50 10 BGCARO C[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000002650149 342726343 /nfs/dbraw/zinc/72/63/43/342726343.db2.gz BYIZBEHMSPRAPK-GFCCVEGCSA-N 1 0 227.307 3.243 50 10 BGCARO CNc1c2ccccc2[nH+]c2ccccc21 ZINC000003651469 388574518 /nfs/dbraw/zinc/57/45/18/388574518.db2.gz BSDDSRKVZZVVQX-UHFFFAOYSA-N 1 0 208.264 3.430 50 10 BGCARO CC1=CC(C)(C)Nc2cc(C[NH+](C)C)c(O)cc21 ZINC000003681431 168092900 /nfs/dbraw/zinc/09/29/00/168092900.db2.gz HHMUJCRASAIBQC-UHFFFAOYSA-N 1 0 246.354 3.061 50 10 BGCARO CCN(CC)c1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000003734706 384026315 /nfs/dbraw/zinc/02/63/15/384026315.db2.gz AHYQFPGRKUEUNH-OAHLLOKOSA-N 1 0 232.371 3.347 50 10 BGCARO CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000003880962 132315865 /nfs/dbraw/zinc/31/58/65/132315865.db2.gz ARYMGIDXUZMGHA-UHFFFAOYSA-N 1 0 232.371 3.177 50 10 BGCARO CC(C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000003880963 132315744 /nfs/dbraw/zinc/31/57/44/132315744.db2.gz NDBGEFCTVZDCHP-UHFFFAOYSA-N 1 0 232.371 3.175 50 10 BGCARO CN1C=C/C(=C/c2cccc[n+]2C)c2ccccc21 ZINC000004115862 536328438 /nfs/dbraw/zinc/32/84/38/536328438.db2.gz ZFUDPBUKQHIKAO-UHFFFAOYSA-N 1 0 249.337 3.015 50 10 BGCARO Oc1cc2ccccc2cc1[C@@H]1CCCC[NH2+]1 ZINC000004234988 183262842 /nfs/dbraw/zinc/26/28/42/183262842.db2.gz ODOBBSAHXGCTIL-AWEZNQCLSA-N 1 0 227.307 3.360 50 10 BGCARO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(N)cc1 ZINC000004245420 176116742 /nfs/dbraw/zinc/11/67/42/176116742.db2.gz OXTPGYNBWHJWOR-VXGBXAGGSA-N 1 0 218.344 3.032 50 10 BGCARO CCC(CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000004685530 168389766 /nfs/dbraw/zinc/38/97/66/168389766.db2.gz YKPHFPDXLJLFFK-UHFFFAOYSA-N 1 0 221.344 3.282 50 10 BGCARO COc1ccc(C[NH2+]C2CCCCC2)cc1C ZINC000004703386 175106139 /nfs/dbraw/zinc/10/61/39/175106139.db2.gz XKSSKJUIJWWJAD-UHFFFAOYSA-N 1 0 233.355 3.426 50 10 BGCARO Oc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000004715534 183272889 /nfs/dbraw/zinc/27/28/89/183272889.db2.gz QUZFYTAURGZVOE-UHFFFAOYSA-N 1 0 225.719 3.078 50 10 BGCARO C[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1O ZINC000004962246 344867892 /nfs/dbraw/zinc/86/78/92/344867892.db2.gz PDTBVIHJAGCJPH-CYBMUJFWSA-N 1 0 241.334 3.113 50 10 BGCARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000004980836 176074060 /nfs/dbraw/zinc/07/40/60/176074060.db2.gz RCRZMWJKAQMPPT-CYBMUJFWSA-N 1 0 232.371 3.127 50 10 BGCARO C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000004980837 177076627 /nfs/dbraw/zinc/07/66/27/177076627.db2.gz RCRZMWJKAQMPPT-ZDUSSCGKSA-N 1 0 232.371 3.127 50 10 BGCARO CCCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000004987377 343139156 /nfs/dbraw/zinc/13/91/56/343139156.db2.gz BZYBLEIQGZDNSU-UHFFFAOYSA-N 1 0 227.735 3.278 50 10 BGCARO CCOc1cccc(C[NH+]2CCCCCC2)c1O ZINC000004989048 342755700 /nfs/dbraw/zinc/75/57/00/342755700.db2.gz YPHQXIYHVNVFDT-UHFFFAOYSA-N 1 0 249.354 3.167 50 10 BGCARO CCCCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000006317995 342776085 /nfs/dbraw/zinc/77/60/85/342776085.db2.gz UFJLMEVMNFNBQR-UHFFFAOYSA-N 1 0 220.360 3.032 50 10 BGCARO CCCCCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000006859290 342785069 /nfs/dbraw/zinc/78/50/69/342785069.db2.gz FMHIMBOKOKIQDT-UHFFFAOYSA-N 1 0 234.387 3.423 50 10 BGCARO CCC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000006869111 169266927 /nfs/dbraw/zinc/26/69/27/169266927.db2.gz PEEXZIHRGKUILQ-UHFFFAOYSA-N 1 0 220.360 3.032 50 10 BGCARO CCN(CC)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000006869652 342785269 /nfs/dbraw/zinc/78/52/69/342785269.db2.gz MOMHYSQQNLFUOW-UHFFFAOYSA-N 1 0 234.387 3.421 50 10 BGCARO CCN(CC)c1ccc(C[NH2+]CC(C)C)cc1 ZINC000006869670 169804224 /nfs/dbraw/zinc/80/42/24/169804224.db2.gz MMKHYXCSEPBBEC-UHFFFAOYSA-N 1 0 234.387 3.278 50 10 BGCARO CC[C@@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000006870708 170753352 /nfs/dbraw/zinc/75/33/52/170753352.db2.gz CULMSAFPCZWOAC-CYBMUJFWSA-N 1 0 234.387 3.421 50 10 BGCARO CC[C@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000006870772 171343501 /nfs/dbraw/zinc/34/35/01/171343501.db2.gz CULMSAFPCZWOAC-ZDUSSCGKSA-N 1 0 234.387 3.421 50 10 BGCARO Cc1cc(C[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC000008729840 342803870 /nfs/dbraw/zinc/80/38/70/342803870.db2.gz GNZOGLOOGZLFHM-UHFFFAOYSA-N 1 0 221.344 3.060 50 10 BGCARO CCc1ccc(-n2c(C)cc(C[NH3+])c2C)cc1 ZINC000011851004 342843776 /nfs/dbraw/zinc/84/37/76/342843776.db2.gz HPNLWZXVTLXZHI-UHFFFAOYSA-N 1 0 228.339 3.115 50 10 BGCARO CCC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000013718342 168299293 /nfs/dbraw/zinc/29/92/93/168299293.db2.gz VXHXMUIYBPJQMH-UHFFFAOYSA-N 1 0 220.360 3.031 50 10 BGCARO C[C@@H]1CC(C)(C)Nc2cc(C[NH+](C)C)c(O)cc21 ZINC000015423870 176052782 /nfs/dbraw/zinc/05/27/82/176052782.db2.gz DBWVOACIXQVUNU-SNVBAGLBSA-N 1 0 248.370 3.152 50 10 BGCARO C[C@H]1CC(C)(C)Nc2cc(C[NH+](C)C)c(O)cc21 ZINC000015423871 177064208 /nfs/dbraw/zinc/06/42/08/177064208.db2.gz DBWVOACIXQVUNU-JTQLQIEISA-N 1 0 248.370 3.152 50 10 BGCARO CC[C@@H](C)Cc1ccc(O)c(C[NH+](C)C)c1 ZINC000016698724 342914258 /nfs/dbraw/zinc/91/42/58/342914258.db2.gz SELKCQLXIPQGQQ-LLVKDONJSA-N 1 0 221.344 3.042 50 10 BGCARO CC[C@H](C)Cc1ccc(O)c(C[NH+](C)C)c1 ZINC000016698726 171300258 /nfs/dbraw/zinc/30/02/58/171300258.db2.gz SELKCQLXIPQGQQ-NSHDSACASA-N 1 0 221.344 3.042 50 10 BGCARO CN(C)c1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000017744432 172553366 /nfs/dbraw/zinc/55/33/66/172553366.db2.gz XFANEFAKCRULSM-UHFFFAOYSA-N 1 0 232.371 3.175 50 10 BGCARO C[C@@H]([NH3+])c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000019872095 132328450 /nfs/dbraw/zinc/32/84/50/132328450.db2.gz YRTMZNJRCHCSQU-GHMZBOCLSA-N 1 0 236.334 3.082 50 10 BGCARO C[C@@H]([NH3+])c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000019872097 132328543 /nfs/dbraw/zinc/32/85/43/132328543.db2.gz YRTMZNJRCHCSQU-WDEREUQCSA-N 1 0 236.334 3.082 50 10 BGCARO C[C@@H]([NH3+])c1ccc(N2CCCCCC2)c(F)c1 ZINC000019872111 384550542 /nfs/dbraw/zinc/55/05/42/384550542.db2.gz BCWQQKBMIRDWRS-LLVKDONJSA-N 1 0 236.334 3.226 50 10 BGCARO C[C@H]([NH3+])c1ccc(N2CCCCCC2)c(F)c1 ZINC000019872113 342960422 /nfs/dbraw/zinc/96/04/22/342960422.db2.gz BCWQQKBMIRDWRS-NSHDSACASA-N 1 0 236.334 3.226 50 10 BGCARO Oc1ccc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000019899568 183273714 /nfs/dbraw/zinc/27/37/14/183273714.db2.gz HHAJCUVTAJHDOD-UHFFFAOYSA-N 1 0 247.725 3.335 50 10 BGCARO CC1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000019917836 168164693 /nfs/dbraw/zinc/16/46/93/168164693.db2.gz DALMSJHTGXOUNX-UHFFFAOYSA-N 1 0 219.328 3.061 50 10 BGCARO CC[N@@H+](c1ccc(N)cc1)C1CCCCC1 ZINC000022214077 343044385 /nfs/dbraw/zinc/04/43/85/343044385.db2.gz IMDARUXWNKRPJK-UHFFFAOYSA-N 1 0 218.344 3.428 50 10 BGCARO CCOc1cccc(C[N@@H+]2CCC[C@@H](C)C2)c1O ZINC000023282167 343063407 /nfs/dbraw/zinc/06/34/07/343063407.db2.gz SGXRZLIRWKFJOO-GFCCVEGCSA-N 1 0 249.354 3.023 50 10 BGCARO CCOc1cccc(C[N@@H+]2CCC[C@H](C)C2)c1O ZINC000023282169 343063073 /nfs/dbraw/zinc/06/30/73/343063073.db2.gz SGXRZLIRWKFJOO-LBPRGKRZSA-N 1 0 249.354 3.023 50 10 BGCARO CCC[C@@H]([NH3+])c1c(O)ccc2ccccc21 ZINC000032099044 169393083 /nfs/dbraw/zinc/39/30/83/169393083.db2.gz SWFMDBZDTCHGCU-GFCCVEGCSA-N 1 0 215.296 3.345 50 10 BGCARO CCC[C@H]([NH3+])c1c(O)ccc2ccccc21 ZINC000032099045 343229059 /nfs/dbraw/zinc/22/90/59/343229059.db2.gz SWFMDBZDTCHGCU-LBPRGKRZSA-N 1 0 215.296 3.345 50 10 BGCARO CC(C)[C@@H]([NH3+])c1c(O)ccc2ccccc21 ZINC000032099046 385132300 /nfs/dbraw/zinc/13/23/00/385132300.db2.gz MYFKTRVPAJLXPM-CQSZACIVSA-N 1 0 215.296 3.201 50 10 BGCARO CC(C)[C@H]([NH3+])c1c(O)ccc2ccccc21 ZINC000032099047 343229030 /nfs/dbraw/zinc/22/90/30/343229030.db2.gz MYFKTRVPAJLXPM-AWEZNQCLSA-N 1 0 215.296 3.201 50 10 BGCARO CSc1ccc(-n2c(C)cc(C[NH3+])c2C)cc1 ZINC000034936126 188467175 /nfs/dbraw/zinc/46/71/75/188467175.db2.gz ZHHFEZSCYAFCTO-UHFFFAOYSA-N 1 0 246.379 3.275 50 10 BGCARO Cc1cc(C[NH3+])c(C)n1-c1ccc(C)c(F)c1 ZINC000034936148 178345915 /nfs/dbraw/zinc/34/59/15/178345915.db2.gz NTEQAOGVUWNMRD-UHFFFAOYSA-N 1 0 232.302 3.000 50 10 BGCARO CCCCC[N@H+](CC)Cc1ccc(N)cc1 ZINC000035361369 343295336 /nfs/dbraw/zinc/29/53/36/343295336.db2.gz IYUMQWXZBGUUDG-UHFFFAOYSA-N 1 0 220.360 3.281 50 10 BGCARO C[C@@H](Cc1cccs1)[NH2+]Cc1ccccc1O ZINC000036992652 361590505 /nfs/dbraw/zinc/59/05/05/361590505.db2.gz GUSLERXVCZNUDT-NSHDSACASA-N 1 0 247.363 3.175 50 10 BGCARO C[C@H](Cc1cccs1)[NH2+]Cc1ccccc1O ZINC000036992653 361591868 /nfs/dbraw/zinc/59/18/68/361591868.db2.gz GUSLERXVCZNUDT-LLVKDONJSA-N 1 0 247.363 3.175 50 10 BGCARO Oc1ccccc1C[NH2+]CCC1CCCC1 ZINC000037739341 183302449 /nfs/dbraw/zinc/30/24/49/183302449.db2.gz GJFLONGHKJHLGR-UHFFFAOYSA-N 1 0 219.328 3.062 50 10 BGCARO CC(C)Cc1cc2c(ccc(O)c2C[NH+](C)C)o1 ZINC000075279830 356938445 /nfs/dbraw/zinc/93/84/45/356938445.db2.gz GMCWYYWLOFCRSM-UHFFFAOYSA-N 1 0 247.338 3.399 50 10 BGCARO CC[NH+](CC)Cc1c(C)cc(C)c(C)c1O ZINC000096026330 371380024 /nfs/dbraw/zinc/38/00/24/371380024.db2.gz VRJSSRIDTJXYGA-UHFFFAOYSA-N 1 0 221.344 3.159 50 10 BGCARO Cc1[nH][nH+]c(C)c2cc(C(C)(C)C)cc1-2 ZINC000096602745 343826205 /nfs/dbraw/zinc/82/62/05/343826205.db2.gz RMIKZVSNVOTCNG-UHFFFAOYSA-N 1 0 202.301 3.429 50 10 BGCARO C[C@H]([NH3+])c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000101236103 384670231 /nfs/dbraw/zinc/67/02/31/384670231.db2.gz YRTMZNJRCHCSQU-MNOVXSKESA-N 1 0 236.334 3.082 50 10 BGCARO C[C@H]([NH3+])c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000101236107 384669481 /nfs/dbraw/zinc/66/94/81/384669481.db2.gz YRTMZNJRCHCSQU-QWRGUYRKSA-N 1 0 236.334 3.082 50 10 BGCARO CC[C@H]([NH2+]C1CC=CC1)c1ccccc1O ZINC000132599619 171515587 /nfs/dbraw/zinc/51/55/87/171515587.db2.gz BQVGBHCTXKFYNL-ZDUSSCGKSA-N 1 0 217.312 3.152 50 10 BGCARO CC[C@@H]([NH2+]C1CC=CC1)c1ccccc1O ZINC000132599799 388363809 /nfs/dbraw/zinc/36/38/09/388363809.db2.gz BQVGBHCTXKFYNL-CYBMUJFWSA-N 1 0 217.312 3.152 50 10 BGCARO Oc1ccc2ccccc2c1[C@@H]1CCCC[NH2+]1 ZINC000199385792 368406028 /nfs/dbraw/zinc/40/60/28/368406028.db2.gz MBKMNMJNMHQRHK-ZDUSSCGKSA-N 1 0 227.307 3.360 50 10 BGCARO Oc1ccc2ccccc2c1[C@H]1CCCC[NH2+]1 ZINC000199385809 368406524 /nfs/dbraw/zinc/40/65/24/368406524.db2.gz MBKMNMJNMHQRHK-CYBMUJFWSA-N 1 0 227.307 3.360 50 10 BGCARO O/[N+](Cc1ccccc1)=N\OCc1ccccc1 ZINC000225399106 387942663 /nfs/dbraw/zinc/94/26/63/387942663.db2.gz TWXWSELNLZEVID-UHFFFAOYSA-N 1 0 243.286 3.172 50 10 BGCARO C[O+]=NN(O)C=Cc1cccc2ccccc12 ZINC000225410969 387940769 /nfs/dbraw/zinc/94/07/69/387940769.db2.gz QXXOWJZNBUSQKM-MDZDMXLPSA-N 1 0 229.259 3.226 50 10 BGCARO