smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C1COCCOCCOCC[NH2+]CCOCCOCCOCC[NH2+]1 ZINC000003895819 483580523 /nfs/dbraw/zinc/58/05/23/483580523.db2.gz STPLRJHSPOESPN-UHFFFAOYSA-N 2 0 350.456 -0.721 50 0 FBAARP C[NH+](CCO)C[C@H](O)COc1ccc(OC[C@H](O)C[N@H+](C)CCO)cc1 ZINC000004764997 207046970 /nfs/dbraw/zinc/04/69/70/207046970.db2.gz USZPCPWIZKNKSP-IYBDPMFKSA-N 2 0 372.462 -0.986 50 0 FBAARP C[NH+](CCO)C[C@@H](O)COc1ccc(OC[C@H](O)C[N@H+](C)CCO)cc1 ZINC000004765000 207045858 /nfs/dbraw/zinc/04/58/58/207045858.db2.gz USZPCPWIZKNKSP-HZPDHXFCSA-N 2 0 372.462 -0.986 50 0 FBAARP O=S(=O)(CC[n+]1ccccc1)CCS(=O)(=O)CC[n+]1ccccc1 ZINC000004831627 484469663 /nfs/dbraw/zinc/46/96/63/484469663.db2.gz YZYNJBSDMHQCJC-UHFFFAOYSA-N 2 0 370.496 -0.209 50 0 FBAARP C[NH+](CCO)C[C@H](O)COc1ccc(OC[C@@H](O)C[N@H+](C)CCO)cc1 ZINC000013511661 220070568 /nfs/dbraw/zinc/07/05/68/220070568.db2.gz USZPCPWIZKNKSP-HOTGVXAUSA-N 2 0 372.462 -0.986 50 0 FBAARP CCS(=O)(=O)N(CCC[NH+]1CCCC1)CCC(=O)N1CC[NH2+]CC1 ZINC000045945164 205127538 /nfs/dbraw/zinc/12/75/38/205127538.db2.gz JGMZIMRONFPOSX-UHFFFAOYSA-N 2 0 360.524 -0.054 50 0 FBAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000065395213 839242132 /nfs/dbraw/zinc/24/21/32/839242132.db2.gz JYZPFGHRILLKCC-CZUORRHYSA-N 2 0 352.460 -0.856 50 0 FBAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000065452627 221220339 /nfs/dbraw/zinc/22/03/39/221220339.db2.gz DKOFNOYDFZTHSV-RDTXWAMCSA-N 2 0 351.495 -0.804 50 0 FBAARP Cn1c2ncn(CCN3CCC([NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000066533714 485014804 /nfs/dbraw/zinc/01/48/04/485014804.db2.gz ABPIQUNVRNFAFX-UHFFFAOYSA-N 2 0 360.462 -0.006 50 0 FBAARP CN1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC12CC[NH+](C)CC2 ZINC000067473315 483713603 /nfs/dbraw/zinc/71/36/03/483713603.db2.gz YFGUDDREGVGWOB-UHFFFAOYSA-N 2 0 351.451 -0.445 50 0 FBAARP C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(C(=O)[C@@H]1CCC[NH2+]CC1)C2 ZINC000067490258 221257541 /nfs/dbraw/zinc/25/75/41/221257541.db2.gz FVDVPVIUIFWQTG-CQSZACIVSA-N 2 0 362.478 -0.094 50 0 FBAARP C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(C(=O)[C@H]1CCC[NH2+]CC1)C2 ZINC000067490260 205372497 /nfs/dbraw/zinc/37/24/97/205372497.db2.gz FVDVPVIUIFWQTG-AWEZNQCLSA-N 2 0 362.478 -0.094 50 0 FBAARP CN1CCN(C(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)CC12CC[NH+](C)CC2 ZINC000067674346 221268032 /nfs/dbraw/zinc/26/80/32/221268032.db2.gz ZIQACCOEVGAFAY-OAHLLOKOSA-N 2 0 351.495 -0.578 50 0 FBAARP CN1CCN(C(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)CC12CC[NH+](C)CC2 ZINC000067674347 221267445 /nfs/dbraw/zinc/26/74/45/221267445.db2.gz ZIQACCOEVGAFAY-HNNXBMFYSA-N 2 0 351.495 -0.578 50 0 FBAARP O=C(NCCn1nc(-c2ccccc2)ccc1=O)C12C[NH2+]CC1C[NH2+]C2 ZINC000067771694 205390118 /nfs/dbraw/zinc/39/01/18/205390118.db2.gz QQKGATLTYLROTA-UHFFFAOYSA-N 2 0 353.426 -0.165 50 0 FBAARP O=C(C[NH2+]C[C@@]1(O)CCCN(CCc2ccccc2)C1=O)N1CC[NH2+]CC1 ZINC000067908313 221303552 /nfs/dbraw/zinc/30/35/52/221303552.db2.gz ZHBHOOZWIPCVOL-FQEVSTJZSA-N 2 0 374.485 -0.396 50 0 FBAARP O=C(C[NH2+]C[C@]1(O)CCCN(CCc2ccccc2)C1=O)N1CC[NH2+]CC1 ZINC000067908315 483716513 /nfs/dbraw/zinc/71/65/13/483716513.db2.gz ZHBHOOZWIPCVOL-HXUWFJFHSA-N 2 0 374.485 -0.396 50 0 FBAARP CCn1c([C@@H]2CCCN(C(=O)C3([NH3+])CC3)C2)nn(CC[NH+](C)C)c1=O ZINC000067908807 221303840 /nfs/dbraw/zinc/30/38/40/221303840.db2.gz PUUJJJMUWSFHSX-CYBMUJFWSA-N 2 0 350.467 -0.176 50 0 FBAARP CCn1c([C@H]2CCCN(C(=O)C3([NH3+])CC3)C2)nn(CC[NH+](C)C)c1=O ZINC000067908809 483716048 /nfs/dbraw/zinc/71/60/48/483716048.db2.gz PUUJJJMUWSFHSX-ZDUSSCGKSA-N 2 0 350.467 -0.176 50 0 FBAARP C[NH2+]CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071415781 221346338 /nfs/dbraw/zinc/34/63/38/221346338.db2.gz XSIXRMBOGBQXDV-INIZCTEOSA-N 2 0 365.522 -0.317 50 0 FBAARP C[NH2+]CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071415782 571161319 /nfs/dbraw/zinc/16/13/19/571161319.db2.gz XSIXRMBOGBQXDV-MRXNPFEDSA-N 2 0 365.522 -0.317 50 0 FBAARP CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CC[NH3+])CC3)C2)CC1 ZINC000071576189 483724054 /nfs/dbraw/zinc/72/40/54/483724054.db2.gz BOJVTHPAKFDRGW-MRXNPFEDSA-N 2 0 365.522 -0.188 50 0 FBAARP CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CC[NH3+])CC3)C2)CC1 ZINC000071576192 221352362 /nfs/dbraw/zinc/35/23/62/221352362.db2.gz BOJVTHPAKFDRGW-INIZCTEOSA-N 2 0 365.522 -0.188 50 0 FBAARP CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C[NH3+])CC3)C2)CC1 ZINC000071763606 483724732 /nfs/dbraw/zinc/72/47/32/483724732.db2.gz CJWSTDHPQPUXOK-OAHLLOKOSA-N 2 0 351.495 -0.578 50 0 FBAARP CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C[NH3+])CC3)C2)CC1 ZINC000071763607 483724777 /nfs/dbraw/zinc/72/47/77/483724777.db2.gz CJWSTDHPQPUXOK-HNNXBMFYSA-N 2 0 351.495 -0.578 50 0 FBAARP O=C(NCCn1[nH]c(=O)c2ccccc2c1=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072133614 571171355 /nfs/dbraw/zinc/17/13/55/571171355.db2.gz DHTRUQGKGQOLNA-HNNXBMFYSA-N 2 0 371.441 -0.462 50 0 FBAARP O=C(NCCn1[nH]c(=O)c2ccccc2c1=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072133615 571171467 /nfs/dbraw/zinc/17/14/67/571171467.db2.gz DHTRUQGKGQOLNA-OAHLLOKOSA-N 2 0 371.441 -0.462 50 0 FBAARP NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)cc1 ZINC000072148361 483728167 /nfs/dbraw/zinc/72/81/67/483728167.db2.gz WIUCLBSNECMSSU-HNNXBMFYSA-N 2 0 366.487 -0.276 50 0 FBAARP NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)cc1 ZINC000072148362 483727619 /nfs/dbraw/zinc/72/76/19/483727619.db2.gz WIUCLBSNECMSSU-OAHLLOKOSA-N 2 0 366.487 -0.276 50 0 FBAARP [NH3+]CCn1cc(C(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)nn1 ZINC000072166317 483728617 /nfs/dbraw/zinc/72/86/17/483728617.db2.gz STPHXPYNVUKKDN-CVEARBPZSA-N 2 0 356.430 -0.296 50 0 FBAARP NC(=O)c1cccnc1N1CCN(C(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)CC1 ZINC000072167159 136143580 /nfs/dbraw/zinc/14/35/80/136143580.db2.gz NZLBYLDVHZNHGU-HNNXBMFYSA-N 2 0 372.473 -0.439 50 0 FBAARP NC(=O)c1cccnc1N1CCN(C(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)CC1 ZINC000072167160 136143453 /nfs/dbraw/zinc/14/34/53/136143453.db2.gz NZLBYLDVHZNHGU-OAHLLOKOSA-N 2 0 372.473 -0.439 50 0 FBAARP CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(C(=O)c1cn(CC[NH3+])nn1)C2 ZINC000072171426 483728947 /nfs/dbraw/zinc/72/89/47/483728947.db2.gz VFNRBYCLQXMAJH-CJNGLKHVSA-N 2 0 350.423 -0.616 50 0 FBAARP [NH3+]CCCN1C(=O)CC[C@H]2CN(C(=O)CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000072432109 571195745 /nfs/dbraw/zinc/19/57/45/571195745.db2.gz QRUVQIOJUWPJFV-JKSUJKDBSA-N 2 0 351.495 -0.530 50 0 FBAARP CC[NH+]1CCN(CCN2CC3(CC[NH+](C[C@H](O)CO)CC3)OC2=O)CC1 ZINC000072435604 571196283 /nfs/dbraw/zinc/19/62/83/571196283.db2.gz UXTBKWBXDPHLLF-INIZCTEOSA-N 2 0 370.494 -0.736 50 0 FBAARP CC[NH+]1CCN(CCN2CC3(CC[NH+](C[C@@H](O)CO)CC3)OC2=O)CC1 ZINC000072435607 571196315 /nfs/dbraw/zinc/19/63/15/571196315.db2.gz UXTBKWBXDPHLLF-MRXNPFEDSA-N 2 0 370.494 -0.736 50 0 FBAARP Cc1cc(N2CCN(C(=O)CCc3cc4n(n3)CC[NH2+]C4)CC2)nc(N)[nH+]1 ZINC000072436539 136147376 /nfs/dbraw/zinc/14/73/76/136147376.db2.gz MFCORKSAZYUICZ-UHFFFAOYSA-N 2 0 370.461 -0.052 50 0 FBAARP COCCn1cnnc1CCNC(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072447815 483730395 /nfs/dbraw/zinc/73/03/95/483730395.db2.gz AWPFOPVBQZGHIU-CQSZACIVSA-N 2 0 350.467 -0.343 50 0 FBAARP COCCn1cnnc1CCNC(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072447816 483730225 /nfs/dbraw/zinc/73/02/25/483730225.db2.gz AWPFOPVBQZGHIU-AWEZNQCLSA-N 2 0 350.467 -0.343 50 0 FBAARP CC[NH+]1CCN(CCN2CC3(CC[NH+](C(CO)CO)CC3)OC2=O)CC1 ZINC000072453561 483730568 /nfs/dbraw/zinc/73/05/68/483730568.db2.gz HWDCBXRTQKSBSX-UHFFFAOYSA-N 2 0 370.494 -0.736 50 0 FBAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1nc(C(N)=O)no1)CC[NH+](C)CC2 ZINC000072478707 483730502 /nfs/dbraw/zinc/73/05/02/483730502.db2.gz YRPWYNUAQDPBKX-GFCCVEGCSA-N 2 0 364.450 -0.019 50 0 FBAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1nc(C(N)=O)no1)CC[NH+](C)CC2 ZINC000072478708 483730858 /nfs/dbraw/zinc/73/08/58/483730858.db2.gz YRPWYNUAQDPBKX-LBPRGKRZSA-N 2 0 364.450 -0.019 50 0 FBAARP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1=O ZINC000074221545 484472967 /nfs/dbraw/zinc/47/29/67/484472967.db2.gz QPEIQLVENYRKEU-QGZVFWFLSA-N 2 0 366.506 -0.033 50 0 FBAARP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1=O ZINC000074221548 484473219 /nfs/dbraw/zinc/47/32/19/484473219.db2.gz QPEIQLVENYRKEU-KRWDZBQOSA-N 2 0 366.506 -0.033 50 0 FBAARP C[NH+](C)[C@@H]1CCN(CCCN2CC3(CCN(C(=O)C[NH3+])CC3)OC2=O)C1 ZINC000077297862 483743827 /nfs/dbraw/zinc/74/38/27/483743827.db2.gz DBMWPCPVJQDNMM-OAHLLOKOSA-N 2 0 367.494 -0.216 50 0 FBAARP C[NH+](C)[C@H]1CCN(CCCN2CC3(CCN(C(=O)C[NH3+])CC3)OC2=O)C1 ZINC000077297864 483744222 /nfs/dbraw/zinc/74/42/22/483744222.db2.gz DBMWPCPVJQDNMM-HNNXBMFYSA-N 2 0 367.494 -0.216 50 0 FBAARP C[NH2+]CC(=O)N1CCC2(CN(CCN3CC[C@H]([NH+](C)C)C3)C(=O)O2)CC1 ZINC000077319397 221604906 /nfs/dbraw/zinc/60/49/06/221604906.db2.gz NRXAAYGVAVTSHU-HNNXBMFYSA-N 2 0 367.494 -0.345 50 0 FBAARP C[NH2+]CC(=O)N1CCC2(CN(CCN3CC[C@@H]([NH+](C)C)C3)C(=O)O2)CC1 ZINC000077319400 483743926 /nfs/dbraw/zinc/74/39/26/483743926.db2.gz NRXAAYGVAVTSHU-OAHLLOKOSA-N 2 0 367.494 -0.345 50 0 FBAARP CCN(C[C@H]1CC[N@H+](CC)C1)C(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077341585 483744733 /nfs/dbraw/zinc/74/47/33/483744733.db2.gz MEFJGAPFAYYDLT-INIZCTEOSA-N 2 0 363.510 -0.013 50 0 FBAARP CCN(C[C@@H]1CC[N@H+](CC)C1)C(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077341589 483744454 /nfs/dbraw/zinc/74/44/54/483744454.db2.gz MEFJGAPFAYYDLT-MRXNPFEDSA-N 2 0 363.510 -0.013 50 0 FBAARP C[NH2+][C@@H](C)C(=O)N1CCC2(CN(CC[N@H+](C)CCOC)C(=O)O2)CC1 ZINC000077374904 483744478 /nfs/dbraw/zinc/74/44/78/483744478.db2.gz BLPKJNVMVBJISA-AWEZNQCLSA-N 2 0 356.467 -0.014 50 0 FBAARP [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077394221 483745134 /nfs/dbraw/zinc/74/51/34/483745134.db2.gz UZXPZFQETSCKST-RDJZCZTQSA-N 2 0 355.446 -0.462 50 0 FBAARP COCC[N@H+](C)CCN1CC2(CCN(C(=O)C3([NH3+])CC3)CC2)OC1=O ZINC000077438626 483746372 /nfs/dbraw/zinc/74/63/72/483746372.db2.gz QDDSYPLNLYORPA-UHFFFAOYSA-N 2 0 354.451 -0.131 50 0 FBAARP C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(C(=O)C[NH3+])CC3)OC2=O)C1 ZINC000077438798 483746457 /nfs/dbraw/zinc/74/64/57/483746457.db2.gz ITQDKZOALQFFMS-CQSZACIVSA-N 2 0 353.467 -0.606 50 0 FBAARP C[NH+](C)[C@H]1CCN(CCN2CC3(CCN(C(=O)C[NH3+])CC3)OC2=O)C1 ZINC000077438800 483746316 /nfs/dbraw/zinc/74/63/16/483746316.db2.gz ITQDKZOALQFFMS-AWEZNQCLSA-N 2 0 353.467 -0.606 50 0 FBAARP Cc1c[nH+]ccc1NCCNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077470335 221632217 /nfs/dbraw/zinc/63/22/17/221632217.db2.gz GAJOXCUBGRHICU-UHFFFAOYSA-N 2 0 358.450 -0.271 50 0 FBAARP CC[NH+]1CCN(CCN2CC3(CCN(C(=O)C[NH2+]C)CC3)OC2=O)CC1 ZINC000077471847 483746941 /nfs/dbraw/zinc/74/69/41/483746941.db2.gz MBJFCQOQUVTYAU-UHFFFAOYSA-N 2 0 367.494 -0.343 50 0 FBAARP CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)C[NH3+])CC3)OC2=O)CC1 ZINC000077486591 483747198 /nfs/dbraw/zinc/74/71/98/483747198.db2.gz VOKOFEKVYRHUNU-UHFFFAOYSA-N 2 0 367.494 -0.214 50 0 FBAARP CC(C)[NH+]1CCN(CCN2CC3(CCN(C(=O)C[NH3+])CC3)OC2=O)CC1 ZINC000077505493 483747253 /nfs/dbraw/zinc/74/72/53/483747253.db2.gz AKTYEBKZWSMFSH-UHFFFAOYSA-N 2 0 367.494 -0.216 50 0 FBAARP CC[NH+]1CCN(CCN2CC3(CCN(C(=O)C[NH3+])CC3)OC2=O)CC1 ZINC000077541713 483747443 /nfs/dbraw/zinc/74/74/43/483747443.db2.gz VAABLBMCNFMRNQ-UHFFFAOYSA-N 2 0 353.467 -0.604 50 0 FBAARP CC[NH+]1CCN(CCN2CC3(CCN(C(=O)[C@@H](C)[NH3+])CC3)OC2=O)CC1 ZINC000077555084 483747400 /nfs/dbraw/zinc/74/74/00/483747400.db2.gz FNIOEXJMBVZDCJ-OAHLLOKOSA-N 2 0 367.494 -0.216 50 0 FBAARP C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)C1 ZINC000082114823 524098097 /nfs/dbraw/zinc/09/80/97/524098097.db2.gz QJGOVKYOPAMMQY-OAHLLOKOSA-N 2 0 361.494 -0.118 50 0 FBAARP C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)C1 ZINC000082114825 526245171 /nfs/dbraw/zinc/24/51/71/526245171.db2.gz QJGOVKYOPAMMQY-HNNXBMFYSA-N 2 0 361.494 -0.118 50 0 FBAARP [NH3+]CCCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCC[NH2+]C2)cc1 ZINC000091254450 483794095 /nfs/dbraw/zinc/79/40/95/483794095.db2.gz OMCMIKAPEBTNHP-INIZCTEOSA-N 2 0 370.475 -0.842 50 0 FBAARP [NH3+]CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000091254451 483793596 /nfs/dbraw/zinc/79/35/96/483793596.db2.gz OMCMIKAPEBTNHP-MRXNPFEDSA-N 2 0 370.475 -0.842 50 0 FBAARP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000091690165 483796092 /nfs/dbraw/zinc/79/60/92/483796092.db2.gz RSPIWEGOONNGGZ-UHFFFAOYSA-N 2 0 361.494 -0.240 50 0 FBAARP NC(=O)C1CC[NH+](CC(=O)N2CCN(Cc3ccccc3)C[C@H]2CO)CC1 ZINC000091830933 483796534 /nfs/dbraw/zinc/79/65/34/483796534.db2.gz VPBWCMZGBRHOKK-SFHVURJKSA-N 2 0 374.485 -0.111 50 0 FBAARP NC(=O)C1CC[NH+](CC(=O)N2CCN(Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000091830935 483796898 /nfs/dbraw/zinc/79/68/98/483796898.db2.gz VPBWCMZGBRHOKK-GOSISDBHSA-N 2 0 374.485 -0.111 50 0 FBAARP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)CC2)nc(N)[nH+]1 ZINC000092001569 132205285 /nfs/dbraw/zinc/20/52/85/132205285.db2.gz BSTKFEYYMNQZAA-CYBMUJFWSA-N 2 0 361.450 -0.787 50 0 FBAARP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)CC2)nc(N)[nH+]1 ZINC000092001571 132205322 /nfs/dbraw/zinc/20/53/22/132205322.db2.gz BSTKFEYYMNQZAA-ZDUSSCGKSA-N 2 0 361.450 -0.787 50 0 FBAARP COCCCN1CC2(CC1=O)CC[NH+](CC(=O)N1CC[NH2+]CC1)CC2 ZINC000095388393 483822644 /nfs/dbraw/zinc/82/26/44/483822644.db2.gz XBVFEFDTEXQXIX-UHFFFAOYSA-N 2 0 352.479 -0.231 50 0 FBAARP C[N@@H+]1CCN(C(=O)CN2CCC[NH+](C)CC2)C[C@]12CCNC(=O)CC2 ZINC000095389422 209045405 /nfs/dbraw/zinc/04/54/05/209045405.db2.gz RYBAIIGILNUNOR-SFHVURJKSA-N 2 0 351.495 -0.563 50 0 FBAARP O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1)N1CC[NH2+]CC1 ZINC000095500713 483823074 /nfs/dbraw/zinc/82/30/74/483823074.db2.gz QMRUAZZVMDTTNP-DZGCQCFKSA-N 2 0 363.487 -0.002 50 0 FBAARP O=C(NCCN1CCNC1=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000096164043 483825352 /nfs/dbraw/zinc/82/53/52/483825352.db2.gz LHMWNLUMGUAPAE-VQIMIIECSA-N 2 0 357.458 -0.151 50 0 FBAARP O=C(NC[C@@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000097479994 222184700 /nfs/dbraw/zinc/18/47/00/222184700.db2.gz NEJFNTYKXYXFSL-UONOGXRCSA-N 2 0 352.460 -0.191 50 0 FBAARP [NH3+][C@H]1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)c2)C1 ZINC000097480489 222184937 /nfs/dbraw/zinc/18/49/37/222184937.db2.gz AGRIPRUCQJJJSK-IHRRRGAJSA-N 2 0 370.450 -0.162 50 0 FBAARP O=C1C[C@@H]([NH+]2CCC(C3CC[NH+]([C@@H]4CC(=O)NC4=O)CC3)CC2)C(=O)N1 ZINC000100204072 222238016 /nfs/dbraw/zinc/23/80/16/222238016.db2.gz JNJSUKCVONWQNW-ZIAGYGMSSA-N 2 0 362.430 -0.759 50 0 FBAARP O=C1C[C@@H]([NH+]2CCC(C3CC[NH+]([C@H]4CC(=O)NC4=O)CC3)CC2)C(=O)N1 ZINC000100204077 222238526 /nfs/dbraw/zinc/23/85/26/222238526.db2.gz JNJSUKCVONWQNW-OKILXGFUSA-N 2 0 362.430 -0.759 50 0 FBAARP CS(=O)(=O)N1CCc2[nH]cnc2C12CC[NH+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)CC2 ZINC000102705439 483834479 /nfs/dbraw/zinc/83/44/79/483834479.db2.gz TZCFZKDJADNFGB-WDNDVIMCSA-N 2 0 365.503 -0.016 50 0 FBAARP C[N@@H+]1CCN(C(=O)CN2CCC[NH+](C)CC2)C[C@@]12CCNC(=O)CC2 ZINC000108045228 209283104 /nfs/dbraw/zinc/28/31/04/209283104.db2.gz RYBAIIGILNUNOR-GOSISDBHSA-N 2 0 351.495 -0.563 50 0 FBAARP C[NH+](C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000169790972 660108329 /nfs/dbraw/zinc/10/83/29/660108329.db2.gz BDNUBOBNVHPHQG-HUUCEWRRSA-N 2 0 360.524 -0.344 50 0 FBAARP O=C(c1cccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1)N1CC[NH2+]CC1 ZINC000215098909 483846190 /nfs/dbraw/zinc/84/61/90/483846190.db2.gz YJZGCVFYMGRUPX-KBPBESRZSA-N 2 0 370.450 -0.290 50 0 FBAARP Cn1c(=O)[nH]cc(CC[NH2+]Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)c1=O ZINC000243892535 484034650 /nfs/dbraw/zinc/03/46/50/484034650.db2.gz AIJYMYVPDZZYQT-TXEJJXNPSA-N 2 0 359.434 -0.051 50 0 FBAARP CC(C)C(=O)N1CCn2nc(CNC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)cc2C1 ZINC000426641597 483944195 /nfs/dbraw/zinc/94/41/95/483944195.db2.gz VUHSHCXJFRCCDK-HNNXBMFYSA-N 2 0 359.434 -0.209 50 0 FBAARP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1[C@@H]2CC[C@@]3(CN(CC[NH3+])C(=O)[C@@H]13)O2 ZINC000670445279 484988386 /nfs/dbraw/zinc/98/83/86/484988386.db2.gz IFSZKHOSAUPBHB-GGXPGOJBSA-N 2 0 373.457 -0.695 50 0 FBAARP NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)C1 ZINC000952981321 661791659 /nfs/dbraw/zinc/79/16/59/661791659.db2.gz HLTOQQWQDGCHOM-HNNXBMFYSA-N 2 0 352.479 -0.367 50 0 FBAARP NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)C1 ZINC000952981328 661791550 /nfs/dbraw/zinc/79/15/50/661791550.db2.gz HLTOQQWQDGCHOM-OAHLLOKOSA-N 2 0 352.479 -0.367 50 0 FBAARP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000952981351 661791616 /nfs/dbraw/zinc/79/16/16/661791616.db2.gz YSFBPSBHLSIINV-KRWDZBQOSA-N 2 0 350.507 -0.023 50 0 FBAARP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000952981356 661791647 /nfs/dbraw/zinc/79/16/47/661791647.db2.gz YSFBPSBHLSIINV-QGZVFWFLSA-N 2 0 350.507 -0.023 50 0 FBAARP C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952985924 661791896 /nfs/dbraw/zinc/79/18/96/661791896.db2.gz BXGLCZSYWRXEJU-KFWWJZLASA-N 2 0 356.467 -0.964 50 0 FBAARP C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952985926 661791918 /nfs/dbraw/zinc/79/19/18/661791918.db2.gz BXGLCZSYWRXEJU-ZNMIVQPWSA-N 2 0 356.467 -0.964 50 0 FBAARP