smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(F)cccc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000841044395 587939295 /nfs/dbraw/zinc/93/92/95/587939295.db2.gz DWESFNBNFSDAMP-VIFPVBQESA-N 2 2 210.252 0.983 20 10 BCCDLP Cc1cccc(C[N@H+](CC[NH3+])CCO)c1O ZINC000841059325 587940478 /nfs/dbraw/zinc/94/04/78/587940478.db2.gz PTSYLQMYGIEWCP-UHFFFAOYSA-N 2 2 224.304 0.454 20 10 BCCDLP Cc1cccc(C[N@@H+](CC[NH3+])CCO)c1O ZINC000841059325 587940480 /nfs/dbraw/zinc/94/04/80/587940480.db2.gz PTSYLQMYGIEWCP-UHFFFAOYSA-N 2 2 224.304 0.454 20 10 BCCDLP Cc1ccc(O)c(C[N@H+](CC[NH3+])CCO)c1 ZINC000841059978 587941225 /nfs/dbraw/zinc/94/12/25/587941225.db2.gz ZFOAQEFJOWUWCR-UHFFFAOYSA-N 2 2 224.304 0.454 20 10 BCCDLP Cc1ccc(O)c(C[N@@H+](CC[NH3+])CCO)c1 ZINC000841059978 587941226 /nfs/dbraw/zinc/94/12/26/587941226.db2.gz ZFOAQEFJOWUWCR-UHFFFAOYSA-N 2 2 224.304 0.454 20 10 BCCDLP CN(CCOCC[NH3+])c1ccc([NH3+])cc1 ZINC000863558566 589299147 /nfs/dbraw/zinc/29/91/47/589299147.db2.gz NKZUQFGQBRXHLD-UHFFFAOYSA-N 2 2 209.293 0.680 20 10 BCCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[NH3+])c1 ZINC000817934315 586843190 /nfs/dbraw/zinc/84/31/90/586843190.db2.gz HPARNXFEZMHMAK-QMMMGPOBSA-N 2 2 238.287 0.788 20 10 BCCDLP Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1O ZINC000841098877 587946382 /nfs/dbraw/zinc/94/63/82/587946382.db2.gz JOIADKAINMFTSD-LBPRGKRZSA-N 2 2 236.315 0.779 20 10 BCCDLP Oc1c(F)cccc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841099814 587946775 /nfs/dbraw/zinc/94/67/75/587946775.db2.gz YEWLTQCEOGTHCU-JTQLQIEISA-N 2 2 240.278 0.609 20 10 BCCDLP COc1cccc(O)c1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000843045521 588076056 /nfs/dbraw/zinc/07/60/56/588076056.db2.gz UGTOLOMTJZGVFT-SECBINFHSA-N 2 2 222.288 0.934 20 10 BCCDLP COc1cccc(O)c1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000843045521 588076058 /nfs/dbraw/zinc/07/60/58/588076058.db2.gz UGTOLOMTJZGVFT-SECBINFHSA-N 2 2 222.288 0.934 20 10 BCCDLP [NH3+][C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843045138 588076233 /nfs/dbraw/zinc/07/62/33/588076233.db2.gz MHPIYLMAOFEXBQ-SECBINFHSA-N 2 2 236.271 0.654 20 10 BCCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843045138 588076235 /nfs/dbraw/zinc/07/62/35/588076235.db2.gz MHPIYLMAOFEXBQ-SECBINFHSA-N 2 2 236.271 0.654 20 10 BCCDLP C[C@H]([NH3+])C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000863653616 589307941 /nfs/dbraw/zinc/30/79/41/589307941.db2.gz OESIFIRSYUQWEE-QMMMGPOBSA-N 2 2 238.287 0.900 20 10 BCCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000863653616 589307942 /nfs/dbraw/zinc/30/79/42/589307942.db2.gz OESIFIRSYUQWEE-QMMMGPOBSA-N 2 2 238.287 0.900 20 10 BCCDLP C[N@@H+]1CCN(Cc2ccccc2O)[C@H](C[NH3+])C1 ZINC000122445641 589591410 /nfs/dbraw/zinc/59/14/10/589591410.db2.gz KFANVXUSTAIXQL-GFCCVEGCSA-N 2 2 235.331 0.467 20 10 BCCDLP C[N@H+]1CCN(Cc2ccccc2O)[C@H](C[NH3+])C1 ZINC000122445641 589591411 /nfs/dbraw/zinc/59/14/11/589591411.db2.gz KFANVXUSTAIXQL-GFCCVEGCSA-N 2 2 235.331 0.467 20 10 BCCDLP CN(C)c1ccc(C[N@@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000026472300 591504812 /nfs/dbraw/zinc/50/48/12/591504812.db2.gz GQGHEJTXFALWOH-CQSZACIVSA-N 2 2 249.358 0.912 20 10 BCCDLP CN(C)c1ccc(C[N@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000026472300 591504815 /nfs/dbraw/zinc/50/48/15/591504815.db2.gz GQGHEJTXFALWOH-CQSZACIVSA-N 2 2 249.358 0.912 20 10 BCCDLP c1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc2c1OCC2 ZINC000258874795 635218247 /nfs/dbraw/zinc/21/82/47/635218247.db2.gz IHSMPRUJOSDEEG-ZDUSSCGKSA-N 2 2 248.326 0.700 20 10 BCCDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccccc1O ZINC000225322029 173076349 /nfs/dbraw/zinc/07/63/49/173076349.db2.gz RGOPXECFBGNPRH-ZDUSSCGKSA-N 2 2 249.358 0.728 20 10 BCCDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccccc1O ZINC000225322029 173076350 /nfs/dbraw/zinc/07/63/50/173076350.db2.gz RGOPXECFBGNPRH-ZDUSSCGKSA-N 2 2 249.358 0.728 20 10 BCCDLP Oc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C1)OCO2 ZINC000841045396 587938924 /nfs/dbraw/zinc/93/89/24/587938924.db2.gz TVJNRZYZXXASHD-SECBINFHSA-N 2 2 236.271 0.572 20 10 BCCDLP Cc1cc(O)c(C[N@H+](CC[NH3+])CCO)cc1C ZINC000841059737 587940804 /nfs/dbraw/zinc/94/08/04/587940804.db2.gz WJELARPUQUBDDV-UHFFFAOYSA-N 2 2 238.331 0.762 20 10 BCCDLP Cc1cc(O)c(C[N@@H+](CC[NH3+])CCO)cc1C ZINC000841059737 587940805 /nfs/dbraw/zinc/94/08/05/587940805.db2.gz WJELARPUQUBDDV-UHFFFAOYSA-N 2 2 238.331 0.762 20 10 BCCDLP COc1cccc(O)c1C[NH2+][C@H](C)C[NH3+] ZINC000841060374 587941453 /nfs/dbraw/zinc/94/14/53/587941453.db2.gz XEYNDBQFGUHCFS-MRVPVSSYSA-N 2 2 210.277 0.838 20 10 BCCDLP COc1cccc(O)c1C[NH2+][C@@H](C)C[NH3+] ZINC000841064268 587942161 /nfs/dbraw/zinc/94/21/61/587942161.db2.gz XEYNDBQFGUHCFS-QMMMGPOBSA-N 2 2 210.277 0.838 20 10 BCCDLP Oc1c(F)cccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841077404 587944549 /nfs/dbraw/zinc/94/45/49/587944549.db2.gz KSSHUPHCMRPZDK-JZYVYDRUSA-N 2 2 222.263 0.839 20 10 BCCDLP C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H](O)C[NH3+] ZINC000841093811 587946604 /nfs/dbraw/zinc/94/66/04/587946604.db2.gz ULGYRBUTCNKQBE-QMMMGPOBSA-N 2 2 244.722 0.797 20 10 BCCDLP C[N@H+](Cc1c(O)cccc1Cl)C[C@@H](O)C[NH3+] ZINC000841093811 587946605 /nfs/dbraw/zinc/94/66/05/587946605.db2.gz ULGYRBUTCNKQBE-QMMMGPOBSA-N 2 2 244.722 0.797 20 10 BCCDLP COc1cccc(O)c1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000843047403 588076151 /nfs/dbraw/zinc/07/61/51/588076151.db2.gz UGTOLOMTJZGVFT-VIFPVBQESA-N 2 2 222.288 0.934 20 10 BCCDLP COc1cccc(O)c1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000843047403 588076153 /nfs/dbraw/zinc/07/61/53/588076153.db2.gz UGTOLOMTJZGVFT-VIFPVBQESA-N 2 2 222.288 0.934 20 10 BCCDLP Cc1ccc(O)c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000122482371 589594279 /nfs/dbraw/zinc/59/42/79/589594279.db2.gz SWTVMHOVSBNDCO-ZDUSSCGKSA-N 2 2 249.358 0.775 20 10 BCCDLP Cc1ccc(O)c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000122482371 589594280 /nfs/dbraw/zinc/59/42/80/589594280.db2.gz SWTVMHOVSBNDCO-ZDUSSCGKSA-N 2 2 249.358 0.775 20 10 BCCDLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000132618753 591724740 /nfs/dbraw/zinc/72/47/40/591724740.db2.gz ZPYPLVJVYUBNJH-MFKMUULPSA-N 2 2 236.315 0.940 20 10 BCCDLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000132618753 591724743 /nfs/dbraw/zinc/72/47/43/591724743.db2.gz ZPYPLVJVYUBNJH-MFKMUULPSA-N 2 2 236.315 0.940 20 10 BCCDLP c1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc2c1OCC2 ZINC000258874794 635216796 /nfs/dbraw/zinc/21/67/96/635216796.db2.gz IHSMPRUJOSDEEG-CYBMUJFWSA-N 2 2 248.326 0.700 20 10 BCCDLP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CC2 ZINC000817983595 644993852 /nfs/dbraw/zinc/99/38/52/644993852.db2.gz OMTWGRLFIQZBRJ-NWDGAFQWSA-N 2 2 248.326 0.958 20 10 BCCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1O ZINC000717276469 712642336 /nfs/dbraw/zinc/64/23/36/712642336.db2.gz FXCAFRMHTHOCNF-WDEREUQCSA-N 2 2 238.331 0.965 20 10 BCCDLP CC[N@H+](CCO)CC[NH2+]Cc1ccccc1O ZINC000184550421 384619721 /nfs/dbraw/zinc/61/97/21/384619721.db2.gz TYPPDYRASYGUTR-UHFFFAOYSA-N 2 2 238.331 0.796 20 10 BCCDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccccc1O ZINC000184550421 384619724 /nfs/dbraw/zinc/61/97/24/384619724.db2.gz TYPPDYRASYGUTR-UHFFFAOYSA-N 2 2 238.331 0.796 20 10 BCCDLP Cc1cccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1O ZINC000843121361 586409851 /nfs/dbraw/zinc/40/98/51/586409851.db2.gz FKWDVVBBOWBZQM-ZDUSSCGKSA-N 2 2 249.358 0.775 20 10 BCCDLP Cc1cccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1O ZINC000843121361 586409854 /nfs/dbraw/zinc/40/98/54/586409854.db2.gz FKWDVVBBOWBZQM-ZDUSSCGKSA-N 2 2 249.358 0.775 20 10 BCCDLP COc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1O ZINC000849349824 588474949 /nfs/dbraw/zinc/47/49/49/588474949.db2.gz JZRNPPXUMABMKX-JTQLQIEISA-N 2 2 222.288 0.852 20 10 BCCDLP Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](C[NH3+])C2)c1 ZINC000164669563 633081584 /nfs/dbraw/zinc/08/15/84/633081584.db2.gz AJIDVHKOPVHOSS-LBPRGKRZSA-N 2 2 236.315 0.860 20 10 BCCDLP Cc1ccc(O)c(C[N@H+]2CCO[C@@H](C[NH3+])C2)c1 ZINC000164669563 633081586 /nfs/dbraw/zinc/08/15/86/633081586.db2.gz AJIDVHKOPVHOSS-LBPRGKRZSA-N 2 2 236.315 0.860 20 10 BCCDLP Oc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000196734934 643656311 /nfs/dbraw/zinc/65/63/11/643656311.db2.gz ZJICWDCZPLJTBC-UHFFFAOYSA-N 2 2 235.331 0.387 20 10 BCCDLP Oc1ccccc1C[N@@H+]1CCNCC[NH2+]CC1 ZINC000196734934 643656322 /nfs/dbraw/zinc/65/63/22/643656322.db2.gz ZJICWDCZPLJTBC-UHFFFAOYSA-N 2 2 235.331 0.387 20 10 BCCDLP Oc1ccccc1C[N@H+]1CCNCC[NH2+]CC1 ZINC000196734934 643656325 /nfs/dbraw/zinc/65/63/25/643656325.db2.gz ZJICWDCZPLJTBC-UHFFFAOYSA-N 2 2 235.331 0.387 20 10 BCCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000853249295 588728735 /nfs/dbraw/zinc/72/87/35/588728735.db2.gz PEXFQDVHIHBNCR-MRVPVSSYSA-N 2 2 238.287 0.818 20 10 BCCDLP Oc1ccccc1C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000858297463 588943027 /nfs/dbraw/zinc/94/30/27/588943027.db2.gz DJNAIJXPXIECBZ-GFCCVEGCSA-N 2 2 236.315 0.548 20 10 BCCDLP Oc1ccccc1C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000858297463 588943028 /nfs/dbraw/zinc/94/30/28/588943028.db2.gz DJNAIJXPXIECBZ-GFCCVEGCSA-N 2 2 236.315 0.548 20 10 BCCDLP Cc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1O ZINC000904396744 584875724 /nfs/dbraw/zinc/87/57/24/584875724.db2.gz PCDKNBUYQWJEND-UHFFFAOYSA-N 2 2 249.358 0.695 20 10 BCCDLP Cc1cccc(C[N@@H+]2CCNCC[NH2+]CC2)c1O ZINC000904396744 584875726 /nfs/dbraw/zinc/87/57/26/584875726.db2.gz PCDKNBUYQWJEND-UHFFFAOYSA-N 2 2 249.358 0.695 20 10 BCCDLP Cc1cccc(C[N@H+]2CCNCC[NH2+]CC2)c1O ZINC000904396744 584875727 /nfs/dbraw/zinc/87/57/27/584875727.db2.gz PCDKNBUYQWJEND-UHFFFAOYSA-N 2 2 249.358 0.695 20 10 BCCDLP [NH3+]CC[N@H+](CCO)Cc1cccc(F)c1O ZINC000841059179 587940323 /nfs/dbraw/zinc/94/03/23/587940323.db2.gz MFVWYCQWFJEBEH-UHFFFAOYSA-N 2 2 228.267 0.284 20 10 BCCDLP [NH3+]CC[N@@H+](CCO)Cc1cccc(F)c1O ZINC000841059179 587940324 /nfs/dbraw/zinc/94/03/24/587940324.db2.gz MFVWYCQWFJEBEH-UHFFFAOYSA-N 2 2 228.267 0.284 20 10 BCCDLP C[N@@H+](Cc1c(O)cccc1Cl)C[C@H](O)C[NH3+] ZINC000841093810 587946244 /nfs/dbraw/zinc/94/62/44/587946244.db2.gz ULGYRBUTCNKQBE-MRVPVSSYSA-N 2 2 244.722 0.797 20 10 BCCDLP C[N@H+](Cc1c(O)cccc1Cl)C[C@H](O)C[NH3+] ZINC000841093810 587946246 /nfs/dbraw/zinc/94/62/46/587946246.db2.gz ULGYRBUTCNKQBE-MRVPVSSYSA-N 2 2 244.722 0.797 20 10 BCCDLP COc1cc(O)c(C[N@H+](C)CC[NH3+])cc1OC ZINC000841100674 587946338 /nfs/dbraw/zinc/94/63/38/587946338.db2.gz LLNBKRUMQDGAPX-UHFFFAOYSA-N 2 2 240.303 0.800 20 10 BCCDLP COc1cc(O)c(C[N@@H+](C)CC[NH3+])cc1OC ZINC000841100674 587946339 /nfs/dbraw/zinc/94/63/39/587946339.db2.gz LLNBKRUMQDGAPX-UHFFFAOYSA-N 2 2 240.303 0.800 20 10 BCCDLP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841098081 587946757 /nfs/dbraw/zinc/94/67/57/587946757.db2.gz BQOUAHDOUVKDGV-NSHDSACASA-N 2 2 240.278 0.609 20 10 BCCDLP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1O ZINC000863488236 589293839 /nfs/dbraw/zinc/29/38/39/589293839.db2.gz JZRNPPXUMABMKX-SNVBAGLBSA-N 2 2 222.288 0.852 20 10 BCCDLP CN(C[C@H]1C[NH2+]CCO1)c1ccc([NH3+])cc1 ZINC000863558222 589299029 /nfs/dbraw/zinc/29/90/29/589299029.db2.gz AGRBRBKOLDMIHP-GFCCVEGCSA-N 2 2 221.304 0.693 20 10 BCCDLP C[C@@H]([NH3+])C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000863653615 589308000 /nfs/dbraw/zinc/30/80/00/589308000.db2.gz OESIFIRSYUQWEE-MRVPVSSYSA-N 2 2 238.287 0.900 20 10 BCCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000863653615 589308002 /nfs/dbraw/zinc/30/80/02/589308002.db2.gz OESIFIRSYUQWEE-MRVPVSSYSA-N 2 2 238.287 0.900 20 10 BCCDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1O ZINC000717276467 712642193 /nfs/dbraw/zinc/64/21/93/712642193.db2.gz FXCAFRMHTHOCNF-QWRGUYRKSA-N 2 2 238.331 0.965 20 10 BCCDLP [NH3+][C@@]1(CO)CCC[N@H+](Cc2ccccc2O)C1 ZINC000904402082 584878218 /nfs/dbraw/zinc/87/82/18/584878218.db2.gz MBWWXFVWWJPDJP-ZDUSSCGKSA-N 2 2 236.315 0.678 20 10 BCCDLP [NH3+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000904402082 584878220 /nfs/dbraw/zinc/87/82/20/584878220.db2.gz MBWWXFVWWJPDJP-ZDUSSCGKSA-N 2 2 236.315 0.678 20 10 BCCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[NH3+])c1 ZINC000817934314 586843590 /nfs/dbraw/zinc/84/35/90/586843590.db2.gz HPARNXFEZMHMAK-MRVPVSSYSA-N 2 2 238.287 0.788 20 10 BCCDLP COc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000841044382 587939206 /nfs/dbraw/zinc/93/92/06/587939206.db2.gz DOUMLLCZIZNREB-JTQLQIEISA-N 2 2 222.288 0.852 20 10 BCCDLP C[N@H+](CC[NH3+])Cc1cc2c(cc1O)OCO2 ZINC000841100444 587946572 /nfs/dbraw/zinc/94/65/72/587946572.db2.gz YNLXJNYYKKCMQI-UHFFFAOYSA-N 2 2 224.260 0.511 20 10 BCCDLP C[N@@H+](CC[NH3+])Cc1cc2c(cc1O)OCO2 ZINC000841100444 587946575 /nfs/dbraw/zinc/94/65/75/587946575.db2.gz YNLXJNYYKKCMQI-UHFFFAOYSA-N 2 2 224.260 0.511 20 10 BCCDLP C[C@H](C[NH3+])[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000843052528 588077068 /nfs/dbraw/zinc/07/70/68/588077068.db2.gz VMYHRCNXRDWHER-MRVPVSSYSA-N 2 2 238.287 0.900 20 10 BCCDLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000843052528 588077069 /nfs/dbraw/zinc/07/70/69/588077069.db2.gz VMYHRCNXRDWHER-MRVPVSSYSA-N 2 2 238.287 0.900 20 10 BCCDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000165491027 640580938 /nfs/dbraw/zinc/58/09/38/640580938.db2.gz ASHYSCGYNFYPDP-LLVKDONJSA-N 2 2 222.288 0.552 20 10 BCCDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000165491027 640580944 /nfs/dbraw/zinc/58/09/44/640580944.db2.gz ASHYSCGYNFYPDP-LLVKDONJSA-N 2 2 222.288 0.552 20 10 BCCDLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000843052533 585332967 /nfs/dbraw/zinc/33/29/67/585332967.db2.gz VMYHRCNXRDWHER-QMMMGPOBSA-N 2 2 238.287 0.900 20 10 BCCDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000843052533 585332968 /nfs/dbraw/zinc/33/29/68/585332968.db2.gz VMYHRCNXRDWHER-QMMMGPOBSA-N 2 2 238.287 0.900 20 10 BCCDLP Oc1c(F)cccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841044394 587938952 /nfs/dbraw/zinc/93/89/52/587938952.db2.gz DWESFNBNFSDAMP-SECBINFHSA-N 2 2 210.252 0.983 20 10 BCCDLP COCC[NH2+]CC[NH2+]Cc1ccccc1O ZINC000841049023 587939967 /nfs/dbraw/zinc/93/99/67/587939967.db2.gz XGRQGWVTIPPMJY-UHFFFAOYSA-N 2 2 224.304 0.718 20 10 BCCDLP Oc1ccc(F)cc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000841098080 587946598 /nfs/dbraw/zinc/94/65/98/587946598.db2.gz BQOUAHDOUVKDGV-LLVKDONJSA-N 2 2 240.278 0.609 20 10 BCCDLP Oc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000841045254 584122528 /nfs/dbraw/zinc/12/25/28/584122528.db2.gz QSUCPQONSYNELN-JTQLQIEISA-N 2 2 210.252 0.983 20 10 BCCDLP COc1cccc(O)c1C[NH2+][C@H]1CC[NH2+]C1 ZINC000841044272 587939210 /nfs/dbraw/zinc/93/92/10/587939210.db2.gz BWIBJIOTVFNXGI-VIFPVBQESA-N 2 2 222.288 0.852 20 10 BCCDLP C[N@@H+](Cc1cccc(Cl)c1O)C[C@H](O)C[NH3+] ZINC000841094562 587946400 /nfs/dbraw/zinc/94/64/00/587946400.db2.gz YUHCNUUYOXDXJZ-SECBINFHSA-N 2 2 244.722 0.797 20 10 BCCDLP C[N@H+](Cc1cccc(Cl)c1O)C[C@H](O)C[NH3+] ZINC000841094562 587946401 /nfs/dbraw/zinc/94/64/01/587946401.db2.gz YUHCNUUYOXDXJZ-SECBINFHSA-N 2 2 244.722 0.797 20 10 BCCDLP [NH3+][C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843047051 588076376 /nfs/dbraw/zinc/07/63/76/588076376.db2.gz MHPIYLMAOFEXBQ-VIFPVBQESA-N 2 2 236.271 0.654 20 10 BCCDLP [NH3+][C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843047051 588076378 /nfs/dbraw/zinc/07/63/78/588076378.db2.gz MHPIYLMAOFEXBQ-VIFPVBQESA-N 2 2 236.271 0.654 20 10 BCCDLP C[N@@H+]1CCN(Cc2ccccc2O)[C@@H](C[NH3+])C1 ZINC000226617179 635436421 /nfs/dbraw/zinc/43/64/21/635436421.db2.gz KFANVXUSTAIXQL-LBPRGKRZSA-N 2 2 235.331 0.467 20 10 BCCDLP C[N@H+]1CCN(Cc2ccccc2O)[C@@H](C[NH3+])C1 ZINC000226617179 635436434 /nfs/dbraw/zinc/43/64/34/635436434.db2.gz KFANVXUSTAIXQL-LBPRGKRZSA-N 2 2 235.331 0.467 20 10 BCCDLP Oc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841045263 584122202 /nfs/dbraw/zinc/12/22/02/584122202.db2.gz QSUCPQONSYNELN-SNVBAGLBSA-N 2 2 210.252 0.983 20 10 BCCDLP C[NH2+]CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841036746 587937624 /nfs/dbraw/zinc/93/76/24/587937624.db2.gz TXGMPEOOKUSIEF-UHFFFAOYSA-N 2 2 224.260 0.430 20 10 BCCDLP C[N@@H+](Cc1ccccc1O)C[C@H]1C[NH2+]CCO1 ZINC000125484784 590166455 /nfs/dbraw/zinc/16/64/55/590166455.db2.gz WWGAHZWWCZIAJM-GFCCVEGCSA-N 2 2 236.315 0.812 20 10 BCCDLP C[N@H+](Cc1ccccc1O)C[C@H]1C[NH2+]CCO1 ZINC000125484784 590166456 /nfs/dbraw/zinc/16/64/56/590166456.db2.gz WWGAHZWWCZIAJM-GFCCVEGCSA-N 2 2 236.315 0.812 20 10 BCCDLP CN(C)c1ccc(C[N@@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000026472294 591505246 /nfs/dbraw/zinc/50/52/46/591505246.db2.gz GQGHEJTXFALWOH-AWEZNQCLSA-N 2 2 249.358 0.912 20 10 BCCDLP CN(C)c1ccc(C[N@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000026472294 591505248 /nfs/dbraw/zinc/50/52/48/591505248.db2.gz GQGHEJTXFALWOH-AWEZNQCLSA-N 2 2 249.358 0.912 20 10 BCCDLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000132619165 591724902 /nfs/dbraw/zinc/72/49/02/591724902.db2.gz ZPYPLVJVYUBNJH-ZWNOBZJWSA-N 2 2 236.315 0.940 20 10 BCCDLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000132619165 591724905 /nfs/dbraw/zinc/72/49/05/591724905.db2.gz ZPYPLVJVYUBNJH-ZWNOBZJWSA-N 2 2 236.315 0.940 20 10 BCCDLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000165491140 640580772 /nfs/dbraw/zinc/58/07/72/640580772.db2.gz ASHYSCGYNFYPDP-NSHDSACASA-N 2 2 222.288 0.552 20 10 BCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000165491140 640580773 /nfs/dbraw/zinc/58/07/73/640580773.db2.gz ASHYSCGYNFYPDP-NSHDSACASA-N 2 2 222.288 0.552 20 10 BCCDLP Oc1ccccc1C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000858338186 588946866 /nfs/dbraw/zinc/94/68/66/588946866.db2.gz DJNAIJXPXIECBZ-LBPRGKRZSA-N 2 2 236.315 0.548 20 10 BCCDLP Oc1ccccc1C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000858338186 588946867 /nfs/dbraw/zinc/94/68/67/588946867.db2.gz DJNAIJXPXIECBZ-LBPRGKRZSA-N 2 2 236.315 0.548 20 10 BCCDLP C[N@@H+](Cc1ccccc1O)C[C@@H]1C[NH2+]CCO1 ZINC000125484425 590166436 /nfs/dbraw/zinc/16/64/36/590166436.db2.gz WWGAHZWWCZIAJM-LBPRGKRZSA-N 2 2 236.315 0.812 20 10 BCCDLP C[N@H+](Cc1ccccc1O)C[C@@H]1C[NH2+]CCO1 ZINC000125484425 590166437 /nfs/dbraw/zinc/16/64/37/590166437.db2.gz WWGAHZWWCZIAJM-LBPRGKRZSA-N 2 2 236.315 0.812 20 10 BCCDLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000132618570 591724256 /nfs/dbraw/zinc/72/42/56/591724256.db2.gz ZPYPLVJVYUBNJH-GWCFXTLKSA-N 2 2 236.315 0.940 20 10 BCCDLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000132618570 591724257 /nfs/dbraw/zinc/72/42/57/591724257.db2.gz ZPYPLVJVYUBNJH-GWCFXTLKSA-N 2 2 236.315 0.940 20 10 BCCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1O ZINC000717276463 712642350 /nfs/dbraw/zinc/64/23/50/712642350.db2.gz FXCAFRMHTHOCNF-GHMZBOCLSA-N 2 2 238.331 0.965 20 10 BCCDLP Cc1ccc(O)c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904397919 584880189 /nfs/dbraw/zinc/88/01/89/584880189.db2.gz KWHUUHNUTUKWCL-UHFFFAOYSA-N 2 2 249.358 0.695 20 10 BCCDLP Cc1ccc(O)c(C[N@@H+]2CCNCC[NH2+]CC2)c1 ZINC000904397919 584880191 /nfs/dbraw/zinc/88/01/91/584880191.db2.gz KWHUUHNUTUKWCL-UHFFFAOYSA-N 2 2 249.358 0.695 20 10 BCCDLP Cc1ccc(O)c(C[N@H+]2CCNCC[NH2+]CC2)c1 ZINC000904397919 584880193 /nfs/dbraw/zinc/88/01/93/584880193.db2.gz KWHUUHNUTUKWCL-UHFFFAOYSA-N 2 2 249.358 0.695 20 10 BCCDLP CC[NH2+]CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841038371 587937570 /nfs/dbraw/zinc/93/75/70/587937570.db2.gz ZRNQJUDBDNXSKN-UHFFFAOYSA-N 2 2 238.287 0.820 20 10 BCCDLP Cc1cccc(C[N@@H+]2CCO[C@@H](C[NH3+])C2)c1O ZINC000843065904 588078674 /nfs/dbraw/zinc/07/86/74/588078674.db2.gz RDCVBFUKAMEKJV-LBPRGKRZSA-N 2 2 236.315 0.860 20 10 BCCDLP Cc1cccc(C[N@H+]2CCO[C@@H](C[NH3+])C2)c1O ZINC000843065904 588078677 /nfs/dbraw/zinc/07/86/77/588078677.db2.gz RDCVBFUKAMEKJV-LBPRGKRZSA-N 2 2 236.315 0.860 20 10 BCCDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccccc1O ZINC000068801404 173075756 /nfs/dbraw/zinc/07/57/56/173075756.db2.gz RGOPXECFBGNPRH-CYBMUJFWSA-N 2 2 249.358 0.728 20 10 BCCDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccccc1O ZINC000068801404 173075758 /nfs/dbraw/zinc/07/57/58/173075758.db2.gz RGOPXECFBGNPRH-CYBMUJFWSA-N 2 2 249.358 0.728 20 10 BCCDLP Cc1cccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1O ZINC000843121354 586409784 /nfs/dbraw/zinc/40/97/84/586409784.db2.gz FKWDVVBBOWBZQM-CYBMUJFWSA-N 2 2 249.358 0.775 20 10 BCCDLP Cc1cccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1O ZINC000843121354 586409785 /nfs/dbraw/zinc/40/97/85/586409785.db2.gz FKWDVVBBOWBZQM-CYBMUJFWSA-N 2 2 249.358 0.775 20 10 BCCDLP Oc1cc2c(cc1C[NH2+][C@H]1CC[NH2+]C1)OCO2 ZINC000841045397 587938968 /nfs/dbraw/zinc/93/89/68/587938968.db2.gz TVJNRZYZXXASHD-VIFPVBQESA-N 2 2 236.271 0.572 20 10 BCCDLP COCC[NH2+]CC[NH2+]Cc1cccc(F)c1O ZINC000841047430 587939342 /nfs/dbraw/zinc/93/93/42/587939342.db2.gz ARHPVOFYHVPCQN-UHFFFAOYSA-N 2 2 242.294 0.857 20 10 BCCDLP [NH3+]CC[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000841059500 587940747 /nfs/dbraw/zinc/94/07/47/587940747.db2.gz SUQZCUVGDKQRDX-UHFFFAOYSA-N 2 2 244.722 0.799 20 10 BCCDLP [NH3+]CC[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000841059500 587940748 /nfs/dbraw/zinc/94/07/48/587940748.db2.gz SUQZCUVGDKQRDX-UHFFFAOYSA-N 2 2 244.722 0.799 20 10 BCCDLP [NH3+]CC[N@H+](CCO)Cc1cc(F)ccc1O ZINC000841058490 587940950 /nfs/dbraw/zinc/94/09/50/587940950.db2.gz HTLFTDRNPGCONM-UHFFFAOYSA-N 2 2 228.267 0.284 20 10 BCCDLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000132618970 591724866 /nfs/dbraw/zinc/72/48/66/591724866.db2.gz ZPYPLVJVYUBNJH-GXFFZTMASA-N 2 2 236.315 0.940 20 10 BCCDLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000132618970 591724869 /nfs/dbraw/zinc/72/48/69/591724869.db2.gz ZPYPLVJVYUBNJH-GXFFZTMASA-N 2 2 236.315 0.940 20 10 BCCDLP Cc1ccc(O)c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000251176145 635703548 /nfs/dbraw/zinc/70/35/48/635703548.db2.gz SWTVMHOVSBNDCO-CYBMUJFWSA-N 2 2 249.358 0.775 20 10 BCCDLP Cc1ccc(O)c(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000251176145 635703559 /nfs/dbraw/zinc/70/35/59/635703559.db2.gz SWTVMHOVSBNDCO-CYBMUJFWSA-N 2 2 249.358 0.775 20 10 BCCDLP CN(C)c1ccc(C[N@H+](CC[NH3+])CCO)cc1 ZINC000841057667 584125622 /nfs/dbraw/zinc/12/56/22/584125622.db2.gz CHQAQRMSWMGDLW-UHFFFAOYSA-N 2 2 237.347 0.506 20 10 BCCDLP CN(C)c1ccc(C[N@@H+](CC[NH3+])CCO)cc1 ZINC000841057667 584125624 /nfs/dbraw/zinc/12/56/24/584125624.db2.gz CHQAQRMSWMGDLW-UHFFFAOYSA-N 2 2 237.347 0.506 20 10 BCCDLP [NH3+][C@]1(CO)CCC[N@H+](Cc2ccccc2O)C1 ZINC000904402081 584878382 /nfs/dbraw/zinc/87/83/82/584878382.db2.gz MBWWXFVWWJPDJP-CYBMUJFWSA-N 2 2 236.315 0.678 20 10 BCCDLP [NH3+][C@]1(CO)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000904402081 584878383 /nfs/dbraw/zinc/87/83/83/584878383.db2.gz MBWWXFVWWJPDJP-CYBMUJFWSA-N 2 2 236.315 0.678 20 10 BCCDLP C[NH2+]CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841034834 587936996 /nfs/dbraw/zinc/93/69/96/587936996.db2.gz FWSRKZRNJHXQSV-UHFFFAOYSA-N 2 2 249.358 0.832 20 10 BCCDLP C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)C[NH3+] ZINC000841094565 587946223 /nfs/dbraw/zinc/94/62/23/587946223.db2.gz YUHCNUUYOXDXJZ-VIFPVBQESA-N 2 2 244.722 0.797 20 10 BCCDLP C[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)C[NH3+] ZINC000841094565 587946225 /nfs/dbraw/zinc/94/62/25/587946225.db2.gz YUHCNUUYOXDXJZ-VIFPVBQESA-N 2 2 244.722 0.797 20 10 BCCDLP Oc1c(F)cccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000841099815 587946594 /nfs/dbraw/zinc/94/65/94/587946594.db2.gz YEWLTQCEOGTHCU-SNVBAGLBSA-N 2 2 240.278 0.609 20 10 BCCDLP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000841099272 587946612 /nfs/dbraw/zinc/94/66/12/587946612.db2.gz OBKSBSGOWCYWKT-LBPRGKRZSA-N 2 2 236.315 0.779 20 10 BCCDLP Cc1ccc(O)c(C[N@@H+]2CCO[C@H](C[NH3+])C2)c1 ZINC000164669443 711682650 /nfs/dbraw/zinc/68/26/50/711682650.db2.gz AJIDVHKOPVHOSS-GFCCVEGCSA-N 2 2 236.315 0.860 20 10 BCCDLP Cc1ccc(O)c(C[N@H+]2CCO[C@H](C[NH3+])C2)c1 ZINC000164669443 711682652 /nfs/dbraw/zinc/68/26/52/711682652.db2.gz AJIDVHKOPVHOSS-GFCCVEGCSA-N 2 2 236.315 0.860 20 10 BCCDLP COc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000841044383 587939104 /nfs/dbraw/zinc/93/91/04/587939104.db2.gz DOUMLLCZIZNREB-SNVBAGLBSA-N 2 2 222.288 0.852 20 10 BCCDLP COc1cccc(O)c1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841044270 587939272 /nfs/dbraw/zinc/93/92/72/587939272.db2.gz BWIBJIOTVFNXGI-SECBINFHSA-N 2 2 222.288 0.852 20 10 BCCDLP [NH3+]CC[N@H+](CCO)Cc1cc(Cl)ccc1O ZINC000841059215 587940900 /nfs/dbraw/zinc/94/09/00/587940900.db2.gz NJNJJFLICJPKPO-UHFFFAOYSA-N 2 2 244.722 0.799 20 10 BCCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000841099605 587946390 /nfs/dbraw/zinc/94/63/90/587946390.db2.gz SPUKUVXJNFQEKN-AWEZNQCLSA-N 2 2 249.358 0.831 20 10 BCCDLP CN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000841099606 587946734 /nfs/dbraw/zinc/94/67/34/587946734.db2.gz SPUKUVXJNFQEKN-CQSZACIVSA-N 2 2 249.358 0.831 20 10 BCCDLP Cc1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1O ZINC000841098876 587946763 /nfs/dbraw/zinc/94/67/63/587946763.db2.gz JOIADKAINMFTSD-GFCCVEGCSA-N 2 2 236.315 0.779 20 10 BCCDLP Cc1cccc(C[N@@H+]2CCO[C@H](C[NH3+])C2)c1O ZINC000843065902 588078770 /nfs/dbraw/zinc/07/87/70/588078770.db2.gz RDCVBFUKAMEKJV-GFCCVEGCSA-N 2 2 236.315 0.860 20 10 BCCDLP Cc1cccc(C[N@H+]2CCO[C@H](C[NH3+])C2)c1O ZINC000843065902 588078773 /nfs/dbraw/zinc/07/87/73/588078773.db2.gz RDCVBFUKAMEKJV-GFCCVEGCSA-N 2 2 236.315 0.860 20 10 BCCDLP CC[N@H+](CC[NH3+])Cc1cc2c(cc1O)OCO2 ZINC000863645190 589306718 /nfs/dbraw/zinc/30/67/18/589306718.db2.gz RAWCQCNAGFZFBK-UHFFFAOYSA-N 2 2 238.287 0.902 20 10 BCCDLP CC[N@@H+](CC[NH3+])Cc1cc2c(cc1O)OCO2 ZINC000863645190 589306719 /nfs/dbraw/zinc/30/67/19/589306719.db2.gz RAWCQCNAGFZFBK-UHFFFAOYSA-N 2 2 238.287 0.902 20 10 BCCDLP C[NH2+]CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000161267856 173355812 /nfs/dbraw/zinc/35/58/12/173355812.db2.gz XPJSZNXFPXMXAP-UHFFFAOYSA-N 2 2 206.289 0.931 20 10 BCCDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000853249297 588728834 /nfs/dbraw/zinc/72/88/34/588728834.db2.gz PEXFQDVHIHBNCR-QMMMGPOBSA-N 2 2 238.287 0.818 20 10 BCCDLP COCC[NH2+]CC[NH2+]Cc1cc(F)ccc1O ZINC000841048764 587939659 /nfs/dbraw/zinc/93/96/59/587939659.db2.gz TZHXBUOIQIAMAL-UHFFFAOYSA-N 2 2 242.294 0.857 20 10 BCCDLP Cc1ccc(O)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000841099271 587946422 /nfs/dbraw/zinc/94/64/22/587946422.db2.gz OBKSBSGOWCYWKT-GFCCVEGCSA-N 2 2 236.315 0.779 20 10 BCCDLP C[N@H+](CC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000841099039 587946561 /nfs/dbraw/zinc/94/65/61/587946561.db2.gz BRJDRDGULSRHJJ-UHFFFAOYSA-N 2 2 249.358 0.914 20 10 BCCDLP C[N@@H+](CC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000841099039 587946563 /nfs/dbraw/zinc/94/65/63/587946563.db2.gz BRJDRDGULSRHJJ-UHFFFAOYSA-N 2 2 249.358 0.914 20 10 BCCDLP CN(C[C@@H]1C[NH2+]CCO1)c1ccc([NH3+])cc1 ZINC000863558223 589299115 /nfs/dbraw/zinc/29/91/15/589299115.db2.gz AGRBRBKOLDMIHP-LBPRGKRZSA-N 2 2 221.304 0.693 20 10 BCCDLP Oc1cccc2c1[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)CC2 ZINC000817983593 644994977 /nfs/dbraw/zinc/99/49/77/644994977.db2.gz OMTWGRLFIQZBRJ-NEPJUHHUSA-N 2 2 248.326 0.958 20 10 BCCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1O ZINC000717276465 712642253 /nfs/dbraw/zinc/64/22/53/712642253.db2.gz FXCAFRMHTHOCNF-MNOVXSKESA-N 2 2 238.331 0.965 20 10 BCCDLP C[NH2+]CC[NH2+]Cc1cc(OC)ccc1O ZINC000841035338 587937161 /nfs/dbraw/zinc/93/71/61/587937161.db2.gz IMSVHXDFGKDZCS-UHFFFAOYSA-N 2 2 210.277 0.710 20 10 BCCDLP Oc1cccc2c1[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)CC2 ZINC000817983598 644994375 /nfs/dbraw/zinc/99/43/75/644994375.db2.gz OMTWGRLFIQZBRJ-VXGBXAGGSA-N 2 2 248.326 0.958 20 10 BCCDLP Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CC2 ZINC000817983597 644995795 /nfs/dbraw/zinc/99/57/95/644995795.db2.gz OMTWGRLFIQZBRJ-RYUDHWBXSA-N 2 2 248.326 0.958 20 10 BCCDLP