smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@H]([NH3+])CN(CCC)Cc1ccccc1 ZINC000306819079 351085231 /nfs/dbraw/zinc/08/52/31/351085231.db2.gz GKQDHKOARWLCIJ-HNNXBMFYSA-N 2 0 232.371 2.802 10 30 BFEERP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000665230818 412163289 /nfs/dbraw/zinc/16/32/89/412163289.db2.gz WKXXJALQXHDQCY-VXGQWTEUSA-N 2 0 236.403 2.981 10 30 BFEERP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000665230819 412164373 /nfs/dbraw/zinc/16/43/73/412164373.db2.gz WKXXJALQXHDQCY-XSCHDIRWSA-N 2 0 236.403 2.981 10 30 BFEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000665230368 412168496 /nfs/dbraw/zinc/16/84/96/412168496.db2.gz NLBKIBHSOHXCLI-YJNKXOJESA-N 2 0 236.403 2.709 10 30 BFEERP C=CCCC[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000398079523 324216942 /nfs/dbraw/zinc/21/69/42/324216942.db2.gz QONISVLVVSFVIG-HIFPTAJRSA-N 2 0 210.365 2.591 10 30 BFEERP CCCCCCC[NH+]1CCC([NH2+]C)CC1 ZINC000103061214 592576165 /nfs/dbraw/zinc/57/61/65/592576165.db2.gz IEZSQTWYBYYQKS-UHFFFAOYSA-N 2 0 212.381 2.641 10 30 BFEERP CC/[NH+]=C(/N(CC)CC)[N+](CC)(CC)CC ZINC000113427069 717149630 /nfs/dbraw/zinc/14/96/30/717149630.db2.gz PLMQRBZWQNSZPY-YPKPFQOOSA-N 2 0 228.404 2.581 10 30 BFEERP CC/[NH+]=C(\N(CC)CC)[N+](CC)(CC)CC ZINC000113427066 717149715 /nfs/dbraw/zinc/14/97/15/717149715.db2.gz PLMQRBZWQNSZPY-BUHFOSPRSA-N 2 0 228.404 2.581 10 30 BFEERP C=CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580827774 367179953 /nfs/dbraw/zinc/17/99/53/367179953.db2.gz MKLGQXGWLJTIIP-STQMWFEESA-N 2 0 224.392 2.566 10 30 BFEERP C=CC[NH+](CC=C)C[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000053866187 166334230 /nfs/dbraw/zinc/33/42/30/166334230.db2.gz GTAJNRDITHWVLH-ILXRZTDVSA-N 2 0 236.403 2.814 10 30 BFEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000665230824 410723763 /nfs/dbraw/zinc/72/37/63/410723763.db2.gz WOCHGGPRJXFIDG-ILXRZTDVSA-N 2 0 236.403 2.853 10 30 BFEERP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000665230827 410723815 /nfs/dbraw/zinc/72/38/15/410723815.db2.gz WOCHGGPRJXFIDG-RBSFLKMASA-N 2 0 236.403 2.853 10 30 BFEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000665230367 412167810 /nfs/dbraw/zinc/16/78/10/412167810.db2.gz NLBKIBHSOHXCLI-XGUBFFRZSA-N 2 0 236.403 2.709 10 30 BFEERP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000665230816 412167914 /nfs/dbraw/zinc/16/79/14/412167914.db2.gz WKXXJALQXHDQCY-PPWQZUPISA-N 2 0 236.403 2.981 10 30 BFEERP C=CC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000629509911 361104794 /nfs/dbraw/zinc/10/47/94/361104794.db2.gz MMQGVWIOAGOJOP-STQMWFEESA-N 2 0 224.392 2.566 10 30 BFEERP C=CC[NH+](CC=C)C[C@@H]1C[C@@H](CC)CC[C@H]1[NH3+] ZINC000053866190 166334377 /nfs/dbraw/zinc/33/43/77/166334377.db2.gz GTAJNRDITHWVLH-SOUVJXGZSA-N 2 0 236.403 2.814 10 30 BFEERP CCCCCCC[NH2+]C1CCC([NH3+])CC1 ZINC000106573485 592704310 /nfs/dbraw/zinc/70/43/10/592704310.db2.gz LLDFKMWRQBTIKZ-UHFFFAOYSA-N 2 0 212.381 2.816 10 30 BFEERP C=CCCCCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000309171330 631923887 /nfs/dbraw/zinc/92/38/87/631923887.db2.gz AHBRHTDZYZWYHE-CQSZACIVSA-N 2 0 224.392 2.855 10 30 BFEERP C=C1CCC(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000724451364 710740964 /nfs/dbraw/zinc/74/09/64/710740964.db2.gz LGSKBKRJKIVHNX-DZGCQCFKSA-N 2 0 236.403 2.711 10 30 BFEERP C=C1CCC(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000724451367 710741232 /nfs/dbraw/zinc/74/12/32/710741232.db2.gz LGSKBKRJKIVHNX-UKRRQHHQSA-N 2 0 236.403 2.711 10 30 BFEERP C=CC(C)(C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000629509909 361104996 /nfs/dbraw/zinc/10/49/96/361104996.db2.gz MMQGVWIOAGOJOP-OLZOCXBDSA-N 2 0 224.392 2.566 10 30 BFEERP C=CC[NH+](CC=C)C[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000053866188 166334782 /nfs/dbraw/zinc/33/47/82/166334782.db2.gz GTAJNRDITHWVLH-KKUMJFAQSA-N 2 0 236.403 2.814 10 30 BFEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000665230825 410723931 /nfs/dbraw/zinc/72/39/31/410723931.db2.gz WOCHGGPRJXFIDG-KFWWJZLASA-N 2 0 236.403 2.853 10 30 BFEERP CC(C)N[C@@](C)(C#N)CCC[NH+]1CCCCC1 ZINC000045307472 167136871 /nfs/dbraw/zinc/13/68/71/167136871.db2.gz SERYERLDSAZCJW-CQSZACIVSA-N 2 0 237.391 2.533 10 30 BFEERP C=CCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000635024309 345224520 /nfs/dbraw/zinc/22/45/20/345224520.db2.gz WFNNVTMPFDSPBK-UONOGXRCSA-N 2 0 238.419 2.957 10 30 BFEERP CCC[NH+](CCC)Cc1ccc(C#CC[NH3+])cc1 ZINC000049608515 169148966 /nfs/dbraw/zinc/14/89/66/169148966.db2.gz HSCZSBFRRDFEFC-UHFFFAOYSA-N 2 0 244.382 2.619 10 30 BFEERP C=CCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000635024712 345225189 /nfs/dbraw/zinc/22/51/89/345225189.db2.gz ZPTZNIAZDRHIKM-CHWSQXEVSA-N 2 0 224.392 2.566 10 30 BFEERP C=CCCC(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000635021430 345223559 /nfs/dbraw/zinc/22/35/59/345223559.db2.gz OLYFHGVQQUTOKE-ZDUSSCGKSA-N 2 0 224.392 2.711 10 30 BFEERP C=C(C)C[N@H+](CC)CCCCCCC[NH3+] ZINC000020074235 187315399 /nfs/dbraw/zinc/31/53/99/187315399.db2.gz AFYYPZSMBQEBLI-UHFFFAOYSA-N 2 0 212.381 2.794 10 30 BFEERP C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000577620665 366021591 /nfs/dbraw/zinc/02/15/91/366021591.db2.gz COSYEJAUBRDPQP-MJBXVCDLSA-N 2 0 224.392 2.709 10 30 BFEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000665230365 412167324 /nfs/dbraw/zinc/16/73/24/412167324.db2.gz NLBKIBHSOHXCLI-KBXIAJHMSA-N 2 0 236.403 2.709 10 30 BFEERP C=C(C)C[N@@H+](CC)Cc1ccc(C[NH3+])cc1 ZINC000020074163 187206456 /nfs/dbraw/zinc/20/64/56/187206456.db2.gz UXVCOFMFQZQINB-UHFFFAOYSA-N 2 0 218.344 2.543 10 30 BFEERP C=C(C[NH2+]C(C)C)CN(C)Cc1ccccc1 ZINC000231591171 350875522 /nfs/dbraw/zinc/87/55/22/350875522.db2.gz KYRZUDVOYGBHMU-UHFFFAOYSA-N 2 0 232.371 2.673 10 30 BFEERP CCC[N@H+](Cc1ccccc1C#CC[NH3+])C(C)C ZINC000049608954 169178109 /nfs/dbraw/zinc/17/81/09/169178109.db2.gz JOJOCMOAGUOUPZ-UHFFFAOYSA-N 2 0 244.382 2.617 10 30 BFEERP C=CC[NH+](CC=C)CCCCCCC[NH3+] ZINC000020071322 166336126 /nfs/dbraw/zinc/33/61/26/166336126.db2.gz NXTZPCBIKCBCTM-UHFFFAOYSA-N 2 0 210.365 2.570 10 30 BFEERP C=CCCC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000398079524 324217109 /nfs/dbraw/zinc/21/71/09/324217109.db2.gz QONISVLVVSFVIG-PNESKVBLSA-N 2 0 210.365 2.591 10 30 BFEERP CCCCCCCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300046828 592501652 /nfs/dbraw/zinc/50/16/52/592501652.db2.gz AIVCQZCVHTZZIA-QWHCGFSZSA-N 2 0 212.381 2.626 10 30 BFEERP C=CCCC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000635024308 345224924 /nfs/dbraw/zinc/22/49/24/345224924.db2.gz WFNNVTMPFDSPBK-KGLIPLIRSA-N 2 0 238.419 2.957 10 30 BFEERP C=CCCC(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000635019592 345222953 /nfs/dbraw/zinc/22/29/53/345222953.db2.gz ITEJTEYGJRIJAI-UHFFFAOYSA-N 2 0 224.392 2.838 10 30 BFEERP C=CCCC(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000635021418 345223616 /nfs/dbraw/zinc/22/36/16/345223616.db2.gz OLYFHGVQQUTOKE-CYBMUJFWSA-N 2 0 224.392 2.711 10 30 BFEERP C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580827771 367178485 /nfs/dbraw/zinc/17/84/85/367178485.db2.gz MKLGQXGWLJTIIP-CHWSQXEVSA-N 2 0 224.392 2.566 10 30 BFEERP CCC[C@@H](C)[N@H+](C)Cc1ccccc1C#CC[NH3+] ZINC000049609307 169365292 /nfs/dbraw/zinc/36/52/92/169365292.db2.gz HAFSGOIUAANAHC-CQSZACIVSA-N 2 0 244.382 2.617 10 30 BFEERP C=CC[NH+](CC=C)Cc1cccc(C[NH2+]CC)c1 ZINC000052376416 166338360 /nfs/dbraw/zinc/33/83/60/166338360.db2.gz CCHAFPAGMOQDIJ-UHFFFAOYSA-N 2 0 244.382 2.970 10 30 BFEERP C=C1CCC(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000724451366 710741412 /nfs/dbraw/zinc/74/14/12/710741412.db2.gz LGSKBKRJKIVHNX-HIFRSBDPSA-N 2 0 236.403 2.711 10 30 BFEERP C=C1CCC(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000724487102 710742409 /nfs/dbraw/zinc/74/24/09/710742409.db2.gz CIOHPMIELXJEHT-UHFFFAOYSA-N 2 0 222.376 2.592 10 30 BFEERP C=CC[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000714996058 712503290 /nfs/dbraw/zinc/50/32/90/712503290.db2.gz MLDADWMQFPUDFS-BMFZPTHFSA-N 2 0 244.382 2.625 10 30 BFEERP CCC(CC)[N@H+](C)Cc1ccccc1C#CC[NH3+] ZINC000049609248 168369733 /nfs/dbraw/zinc/36/97/33/168369733.db2.gz ZGYLASQKIKPKJF-UHFFFAOYSA-N 2 0 244.382 2.617 10 30 BFEERP C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580827773 367179395 /nfs/dbraw/zinc/17/93/95/367179395.db2.gz MKLGQXGWLJTIIP-QWHCGFSZSA-N 2 0 224.392 2.566 10 30 BFEERP CCC[N@H+](Cc1cccc(C#CC[NH3+])c1)C(C)C ZINC000049608960 169175694 /nfs/dbraw/zinc/17/56/94/169175694.db2.gz XYIZPQKNPYJBPS-UHFFFAOYSA-N 2 0 244.382 2.617 10 30 BFEERP CCC[C@@H](C)[N@H+](C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609309 169364962 /nfs/dbraw/zinc/36/49/62/169364962.db2.gz QARXRXTYEZEQQG-CQSZACIVSA-N 2 0 244.382 2.617 10 30 BFEERP C=CCC[C@H]([NH2+][C@H]1CCCN(CC)C1)C1CC1 ZINC000120421161 387188690 /nfs/dbraw/zinc/18/86/90/387188690.db2.gz JIXCQECKJLUMBO-GJZGRUSLSA-N 2 0 236.403 2.805 10 30 BFEERP C=CC[NH+](CC=C)CC1(CCC)CC[NH2+]CC1 ZINC000062850511 166335011 /nfs/dbraw/zinc/33/50/11/166335011.db2.gz PDITZRAJZMZFSQ-UHFFFAOYSA-N 2 0 236.403 2.830 10 30 BFEERP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000665230826 410724817 /nfs/dbraw/zinc/72/48/17/410724817.db2.gz WOCHGGPRJXFIDG-QLFBSQMISA-N 2 0 236.403 2.853 10 30 BFEERP CC[C@H](C)[N@H+](CC)Cc1ccccc1C#CC[NH3+] ZINC000049608936 171312713 /nfs/dbraw/zinc/31/27/13/171312713.db2.gz GAJZRLZSTDRDJR-AWEZNQCLSA-N 2 0 244.382 2.617 10 30 BFEERP C=C1CCC(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000724451369 710740779 /nfs/dbraw/zinc/74/07/79/710740779.db2.gz LGSKBKRJKIVHNX-ZFWWWQNUSA-N 2 0 236.403 2.711 10 30 BFEERP CCC(CC)[N@H+](C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609249 168369842 /nfs/dbraw/zinc/36/98/42/168369842.db2.gz YHVJMFZOCNLXDJ-UHFFFAOYSA-N 2 0 244.382 2.617 10 30 BFEERP C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577620664 366021272 /nfs/dbraw/zinc/02/12/72/366021272.db2.gz COSYEJAUBRDPQP-MELADBBJSA-N 2 0 224.392 2.709 10 30 BFEERP [NH3+]CCCC[NH+]=C1CCCc2ccccc2N1 ZINC000064454465 181374352 /nfs/dbraw/zinc/37/43/52/181374352.db2.gz VRXUZYOFQLAINB-UHFFFAOYSA-N 2 0 231.343 2.572 10 30 BFEERP C=CC[NH+](CC=C)C[C@@H]1C[C@H](CC)CC[C@H]1[NH3+] ZINC000053866189 166334812 /nfs/dbraw/zinc/33/48/12/166334812.db2.gz GTAJNRDITHWVLH-QLFBSQMISA-N 2 0 236.403 2.814 10 30 BFEERP CC[C@H](C)[N@H+](CC)Cc1ccc(C#CC[NH3+])cc1 ZINC000049608938 171311738 /nfs/dbraw/zinc/31/17/38/171311738.db2.gz MJNAOOPFBKHYNX-AWEZNQCLSA-N 2 0 244.382 2.617 10 30 BFEERP CC[C@H](C)[N@H+](CC)Cc1cccc(C#CC[NH3+])c1 ZINC000049608948 171312260 /nfs/dbraw/zinc/31/22/60/171312260.db2.gz VFPNITPUDPCAGU-AWEZNQCLSA-N 2 0 244.382 2.617 10 30 BFEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000665230366 412167405 /nfs/dbraw/zinc/16/74/05/412167405.db2.gz NLBKIBHSOHXCLI-TUVASFSCSA-N 2 0 236.403 2.709 10 30 BFEERP C=CCCCCCC[NH2+]C1CCC([NH3+])CC1 ZINC000309212148 632816504 /nfs/dbraw/zinc/81/65/04/632816504.db2.gz OFYFHPIJTWHELR-UHFFFAOYSA-N 2 0 224.392 2.982 10 30 BFEERP CCC(CC)[N@H+](C)Cc1cccc(C#CC[NH3+])c1 ZINC000049609254 168369192 /nfs/dbraw/zinc/36/91/92/168369192.db2.gz GYEYSHULRPYWTI-UHFFFAOYSA-N 2 0 244.382 2.617 10 30 BFEERP C=CCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000038235350 364262594 /nfs/dbraw/zinc/26/25/94/364262594.db2.gz VDHJLXZBGVNKKG-UHFFFAOYSA-N 2 0 230.355 2.556 10 30 BFEERP CCC[N@H+](Cc1ccc(C#CC[NH3+])cc1)C(C)C ZINC000049608955 169175588 /nfs/dbraw/zinc/17/55/88/169175588.db2.gz UCORFHAVYLQMKR-UHFFFAOYSA-N 2 0 244.382 2.617 10 30 BFEERP C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000577620663 366021841 /nfs/dbraw/zinc/02/18/41/366021841.db2.gz COSYEJAUBRDPQP-IHRRRGAJSA-N 2 0 224.392 2.709 10 30 BFEERP C=CC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000629509908 361104752 /nfs/dbraw/zinc/10/47/52/361104752.db2.gz MMQGVWIOAGOJOP-CHWSQXEVSA-N 2 0 224.392 2.566 10 30 BFEERP C=C(CC)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230029319 371636122 /nfs/dbraw/zinc/63/61/22/371636122.db2.gz RDNZDYJRQKCWPS-UHFFFAOYSA-N 2 0 232.371 2.804 10 30 BFEERP C=CCC[C@H]([NH2+][C@@H]1CCCN(CC)C1)C1CC1 ZINC000120421320 387189744 /nfs/dbraw/zinc/18/97/44/387189744.db2.gz JIXCQECKJLUMBO-CABCVRRESA-N 2 0 236.403 2.805 10 30 BFEERP C=CCCCCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000309171329 632660248 /nfs/dbraw/zinc/66/02/48/632660248.db2.gz AHBRHTDZYZWYHE-AWEZNQCLSA-N 2 0 224.392 2.855 10 30 BFEERP C=CCCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000635024713 345225343 /nfs/dbraw/zinc/22/53/43/345225343.db2.gz ZPTZNIAZDRHIKM-OLZOCXBDSA-N 2 0 224.392 2.566 10 30 BFEERP C=CCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000635024715 345225424 /nfs/dbraw/zinc/22/54/24/345225424.db2.gz ZPTZNIAZDRHIKM-QWHCGFSZSA-N 2 0 224.392 2.566 10 30 BFEERP C=CC[C@@H]([NH3+])CN(CCC)Cc1ccccc1 ZINC000306819080 351084682 /nfs/dbraw/zinc/08/46/82/351084682.db2.gz GKQDHKOARWLCIJ-OAHLLOKOSA-N 2 0 232.371 2.802 10 30 BFEERP C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577620662 366021563 /nfs/dbraw/zinc/02/15/63/366021563.db2.gz COSYEJAUBRDPQP-BFHYXJOUSA-N 2 0 224.392 2.709 10 30 BFEERP C=CC[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000049854545 188219323 /nfs/dbraw/zinc/21/93/23/188219323.db2.gz LZNQEYNOJNFPLR-HNNXBMFYSA-N 2 0 232.371 2.845 10 30 BFEERP C=CCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000635024310 345224537 /nfs/dbraw/zinc/22/45/37/345224537.db2.gz WFNNVTMPFDSPBK-ZIAGYGMSSA-N 2 0 238.419 2.957 10 30 BFEERP C=CCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000635024307 345224779 /nfs/dbraw/zinc/22/47/79/345224779.db2.gz WFNNVTMPFDSPBK-KBPBESRZSA-N 2 0 238.419 2.957 10 30 BFEERP C=CCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000635024716 345225485 /nfs/dbraw/zinc/22/54/85/345225485.db2.gz ZPTZNIAZDRHIKM-STQMWFEESA-N 2 0 224.392 2.566 10 30 BFEERP C=CC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000629509910 361105040 /nfs/dbraw/zinc/10/50/40/361105040.db2.gz MMQGVWIOAGOJOP-QWHCGFSZSA-N 2 0 224.392 2.566 10 30 BFEERP C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580827772 367178271 /nfs/dbraw/zinc/17/82/71/367178271.db2.gz MKLGQXGWLJTIIP-OLZOCXBDSA-N 2 0 224.392 2.566 10 30 BFEERP CCC[C@@H](C)[N@H+](C)Cc1cccc(C#CC[NH3+])c1 ZINC000049609319 169365602 /nfs/dbraw/zinc/36/56/02/169365602.db2.gz NDUBQBOJVJYCPO-CQSZACIVSA-N 2 0 244.382 2.617 10 30 BFEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000665230817 412168333 /nfs/dbraw/zinc/16/83/33/412168333.db2.gz WKXXJALQXHDQCY-URGYJCLVSA-N 2 0 236.403 2.981 10 30 BFEERP CCC[NH+](CCC)Cc1cccc(C#CC[NH3+])c1 ZINC000049608520 169148918 /nfs/dbraw/zinc/14/89/18/169148918.db2.gz JZYRWIXXWDFIOG-UHFFFAOYSA-N 2 0 244.382 2.619 10 30 BFEERP CCC[NH+](CCC)Cc1ccccc1C#CC[NH3+] ZINC000049608514 169149715 /nfs/dbraw/zinc/14/97/15/169149715.db2.gz PYDUBZNVNMTPNZ-UHFFFAOYSA-N 2 0 244.382 2.619 10 30 BFEERP C=CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000714996060 712503317 /nfs/dbraw/zinc/50/33/17/712503317.db2.gz MLDADWMQFPUDFS-IMJJTQAJSA-N 2 0 244.382 2.625 10 30 BFEERP