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]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](N)C(C)(C)C)C1 ZINC000952845094 792775008 /nfs/dbraw/zinc/77/50/08/792775008.db2.gz PXDYQABZFYKPJG-OAGGEKHMSA-N 1 3 309.498 2.473 50 0 DEAAHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](N)C(C)(C)C)C1 ZINC000952845094 792775017 /nfs/dbraw/zinc/77/50/17/792775017.db2.gz PXDYQABZFYKPJG-OAGGEKHMSA-N 1 3 309.498 2.473 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000299740437 529440494 /nfs/dbraw/zinc/44/04/94/529440494.db2.gz ZXDCBTPDACODDQ-HYVNUMGLSA-N 1 3 303.450 2.093 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000299740437 529440495 /nfs/dbraw/zinc/44/04/95/529440495.db2.gz ZXDCBTPDACODDQ-HYVNUMGLSA-N 1 3 303.450 2.093 50 0 DEAAHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)C1(N2CCOCC2)CCCC1 ZINC000097101748 355702324 /nfs/dbraw/zinc/70/23/24/355702324.db2.gz KXKQVNNSHDEDTM-IRXDYDNUSA-N 1 3 309.498 2.094 50 0 DEAAHO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101748 355702325 /nfs/dbraw/zinc/70/23/25/355702325.db2.gz KXKQVNNSHDEDTM-IRXDYDNUSA-N 1 3 309.498 2.094 50 0 DEAAHO C[C@H](NCC[C@@H]1CCC[N@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101748 355702327 /nfs/dbraw/zinc/70/23/27/355702327.db2.gz KXKQVNNSHDEDTM-IRXDYDNUSA-N 1 3 309.498 2.094 50 0 DEAAHO COc1cc(CN2CCC3(C2)CC[NH+](C)CC3)cc(F)c1O ZINC000067872427 402177071 /nfs/dbraw/zinc/17/70/71/402177071.db2.gz KZGHPFRRQAUYHV-UHFFFAOYSA-N 1 3 308.397 2.458 50 0 DEAAHO CCN1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000056308840 276359207 /nfs/dbraw/zinc/35/92/07/276359207.db2.gz XRPBBPQYNJATQN-QGZVFWFLSA-N 1 3 307.482 2.242 50 0 DEAAHO CCN1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000056308840 276359210 /nfs/dbraw/zinc/35/92/10/276359210.db2.gz XRPBBPQYNJATQN-QGZVFWFLSA-N 1 3 307.482 2.242 50 0 DEAAHO Cc1nn(C)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000067452812 279191126 /nfs/dbraw/zinc/19/11/26/279191126.db2.gz RYPJHTFLCBCDNL-OKILXGFUSA-N 1 3 308.470 2.016 50 0 DEAAHO COCCN1CCC([NH2+][C@@H]2CCCN(C3CCCCC3)C2)CC1 ZINC000095422246 185360770 /nfs/dbraw/zinc/36/07/70/185360770.db2.gz XRPRKLISPQMAHA-GOSISDBHSA-N 1 3 323.525 2.484 50 0 DEAAHO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)N)CC[N@@H+]1Cc1ccccc1 ZINC000237465606 186294210 /nfs/dbraw/zinc/29/42/10/186294210.db2.gz HUJGRTKIOVSDRZ-ZBFHGGJFSA-N 1 3 303.450 2.235 50 0 DEAAHO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)N)CC[N@H+]1Cc1ccccc1 ZINC000237465606 186294211 /nfs/dbraw/zinc/29/42/11/186294211.db2.gz HUJGRTKIOVSDRZ-ZBFHGGJFSA-N 1 3 303.450 2.235 50 0 DEAAHO CC(C)C[NH+]1CCC(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000065407475 184339216 /nfs/dbraw/zinc/33/92/16/184339216.db2.gz XZSMGRAJKZFQOZ-UHFFFAOYSA-N 1 3 309.498 2.203 50 0 DEAAHO CC(C)(CNC(=O)NC1CCN(C2CC2)CC1)[NH+]1CCCCC1 ZINC000047911510 401990577 /nfs/dbraw/zinc/99/05/77/401990577.db2.gz YMFBFFWJERQGJR-UHFFFAOYSA-N 1 3 322.497 2.177 50 0 DEAAHO CSCc1ccc(CNCC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000069349949 402219682 /nfs/dbraw/zinc/21/96/82/402219682.db2.gz FHNDFFJGNIKZCP-ZDUSSCGKSA-N 1 3 312.479 2.325 50 0 DEAAHO Fc1ccccc1N1CCC([N@@H+]2C[C@@H]3CC[C@H]2CNC3)CC1 ZINC000426518413 405366313 /nfs/dbraw/zinc/36/63/13/405366313.db2.gz XBJSRSZORFGGKD-ZBFHGGJFSA-N 1 3 303.425 2.478 50 0 DEAAHO Fc1ccccc1N1CCC([N@H+]2C[C@@H]3CC[C@H]2CNC3)CC1 ZINC000426518413 405366315 /nfs/dbraw/zinc/36/63/15/405366315.db2.gz XBJSRSZORFGGKD-ZBFHGGJFSA-N 1 3 303.425 2.478 50 0 DEAAHO CC[NH+]1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2cc(C)oc2C)CC1 ZINC000072153655 191058241 /nfs/dbraw/zinc/05/82/41/191058241.db2.gz YAHZRRLGYAJTRW-SJORKVTESA-N 1 3 319.449 2.231 50 0 DEAAHO CC[NH+]1CCC(NCCc2nc(Cc3ccccc3)no2)CC1 ZINC000670454595 540936578 /nfs/dbraw/zinc/93/65/78/540936578.db2.gz WWHKQPQMHHCQBG-UHFFFAOYSA-N 1 3 314.433 2.277 50 0 DEAAHO CC(C)(C)OC(=O)N1CC[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079073580 401869919 /nfs/dbraw/zinc/86/99/19/401869919.db2.gz LZBROWLQSVWJMG-ZIAGYGMSSA-N 1 3 309.454 2.070 50 0 DEAAHO CC(C)(C)OC(=O)N1CC[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079073580 401869923 /nfs/dbraw/zinc/86/99/23/401869923.db2.gz LZBROWLQSVWJMG-ZIAGYGMSSA-N 1 3 309.454 2.070 50 0 DEAAHO CSCc1ccc(CNCC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000069349950 402219369 /nfs/dbraw/zinc/21/93/69/402219369.db2.gz FHNDFFJGNIKZCP-CYBMUJFWSA-N 1 3 312.479 2.325 50 0 DEAAHO CC[C@]1(O)CCCN(Cc2ccccc2OCC[NH+](C)C)C1 ZINC000215399328 402283095 /nfs/dbraw/zinc/28/30/95/402283095.db2.gz VWSWSERJRBVVDE-SFHVURJKSA-N 1 3 306.450 2.364 50 0 DEAAHO CCN(CCC[NH+]1CCCC1)C(=O)NCCN1CCC(C)CC1 ZINC000252492277 402655938 /nfs/dbraw/zinc/65/59/38/402655938.db2.gz MHDJTVSYGGLMMH-UHFFFAOYSA-N 1 3 324.513 2.236 50 0 DEAAHO CC(C)CN1CCc2nnc([C@@H]3CC[N@H+](CC(C)C)C3)n2CC1 ZINC000257187018 402701073 /nfs/dbraw/zinc/70/10/73/402701073.db2.gz LEMYCUWTCYFBDR-MRXNPFEDSA-N 1 3 319.497 2.238 50 0 DEAAHO CC(C)CN1CCc2nnc([C@@H]3CC[N@@H+](CC(C)C)C3)n2CC1 ZINC000257187018 402701075 /nfs/dbraw/zinc/70/10/75/402701075.db2.gz LEMYCUWTCYFBDR-MRXNPFEDSA-N 1 3 319.497 2.238 50 0 DEAAHO CC(C)[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000195554364 276019684 /nfs/dbraw/zinc/01/96/84/276019684.db2.gz LPYRQVFBPYIIHQ-WBVHZDCISA-N 1 3 309.498 2.473 50 0 DEAAHO CC(C)[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000195554364 276019685 /nfs/dbraw/zinc/01/96/85/276019685.db2.gz LPYRQVFBPYIIHQ-WBVHZDCISA-N 1 3 309.498 2.473 50 0 DEAAHO [NH3+][C@@H]1CCN(Cc2ccccc2OCCN2CCCCC2)C1 ZINC000215149067 303470197 /nfs/dbraw/zinc/47/01/97/303470197.db2.gz AVPQVESUZZFIFK-QGZVFWFLSA-N 1 3 303.450 2.084 50 0 DEAAHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@](C)(N)C2CC2)C1 ZINC000408519120 534164069 /nfs/dbraw/zinc/16/40/69/534164069.db2.gz WCHAOGAUGXNGNM-RKVPGOIHSA-N 1 3 307.482 2.227 50 0 DEAAHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@](C)(N)C2CC2)C1 ZINC000408519120 534164063 /nfs/dbraw/zinc/16/40/63/534164063.db2.gz WCHAOGAUGXNGNM-RKVPGOIHSA-N 1 3 307.482 2.227 50 0 DEAAHO C[C@H]([NH2+]CC[C@H]1CCCN1C)C1(N2CCOCC2)CCCC1 ZINC000097101752 355702357 /nfs/dbraw/zinc/70/23/57/355702357.db2.gz KXKQVNNSHDEDTM-DLBZAZTESA-N 1 3 309.498 2.094 50 0 DEAAHO C[C@H](NCC[C@H]1CCC[N@@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101752 355702359 /nfs/dbraw/zinc/70/23/59/355702359.db2.gz KXKQVNNSHDEDTM-DLBZAZTESA-N 1 3 309.498 2.094 50 0 DEAAHO C[C@H](NCC[C@H]1CCC[N@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101752 355702361 /nfs/dbraw/zinc/70/23/61/355702361.db2.gz KXKQVNNSHDEDTM-DLBZAZTESA-N 1 3 309.498 2.094 50 0 DEAAHO C[C@]1(CO)CCCCN1C/C=C\C[N@@H+]1CCCC[C@]1(C)CO ZINC000606442225 361008134 /nfs/dbraw/zinc/00/81/34/361008134.db2.gz HRGQDTNSUTYICD-BTFXCVNISA-N 1 3 310.482 2.016 50 0 DEAAHO C[C@]1(CO)CCCCN1C/C=C\C[N@H+]1CCCC[C@]1(C)CO ZINC000606442225 361008137 /nfs/dbraw/zinc/00/81/37/361008137.db2.gz HRGQDTNSUTYICD-BTFXCVNISA-N 1 3 310.482 2.016 50 0 DEAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NC3CCC3)C2)CC1 ZINC000012752161 401791247 /nfs/dbraw/zinc/79/12/47/401791247.db2.gz QAKICANVQFAODI-HNNXBMFYSA-N 1 3 307.482 2.240 50 0 DEAAHO CN(C)CC[NH+]1CCC(CNCc2c(F)cccc2F)CC1 ZINC000078552971 401855631 /nfs/dbraw/zinc/85/56/31/401855631.db2.gz YFXGZBMQDASTTL-UHFFFAOYSA-N 1 3 311.420 2.328 50 0 DEAAHO C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)N1 ZINC000153835092 402173513 /nfs/dbraw/zinc/17/35/13/402173513.db2.gz FJZIYWSKSMSQET-CHWSQXEVSA-N 1 3 315.417 2.317 50 0 DEAAHO [NH3+][C@H]1C[C@@H](c2cc(N3CCN(C4CCCCC4)CC3)ncn2)C1 ZINC000244724257 402448914 /nfs/dbraw/zinc/44/89/14/402448914.db2.gz MQSONOIQBVNIDI-GASCZTMLSA-N 1 3 315.465 2.136 50 0 DEAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000269498432 403144131 /nfs/dbraw/zinc/14/41/31/403144131.db2.gz KWQDCMHAIUAIRC-XIRDDKMYSA-N 1 3 303.450 2.265 50 0 DEAAHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000269498432 403144134 /nfs/dbraw/zinc/14/41/34/403144134.db2.gz KWQDCMHAIUAIRC-XIRDDKMYSA-N 1 3 303.450 2.265 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000299740439 529440556 /nfs/dbraw/zinc/44/05/56/529440556.db2.gz ZXDCBTPDACODDQ-XIRDDKMYSA-N 1 3 303.450 2.093 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000299740439 529440557 /nfs/dbraw/zinc/44/05/57/529440557.db2.gz ZXDCBTPDACODDQ-XIRDDKMYSA-N 1 3 303.450 2.093 50 0 DEAAHO CC(C)NC(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000095427073 185361877 /nfs/dbraw/zinc/36/18/77/185361877.db2.gz AAJSQOYVEBBZJI-HZPDHXFCSA-N 1 3 317.477 2.257 50 0 DEAAHO CC(C)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000095427073 185361878 /nfs/dbraw/zinc/36/18/78/185361878.db2.gz AAJSQOYVEBBZJI-HZPDHXFCSA-N 1 3 317.477 2.257 50 0 DEAAHO C[C@]1(CO)CCCCN1C/C=C/C[N@@H+]1CCCC[C@]1(C)CO ZINC000253416881 402664645 /nfs/dbraw/zinc/66/46/45/402664645.db2.gz HRGQDTNSUTYICD-HNGSOEQISA-N 1 3 310.482 2.016 50 0 DEAAHO C[C@]1(CO)CCCCN1C/C=C/C[N@H+]1CCCC[C@]1(C)CO ZINC000253416881 402664646 /nfs/dbraw/zinc/66/46/46/402664646.db2.gz HRGQDTNSUTYICD-HNGSOEQISA-N 1 3 310.482 2.016 50 0 DEAAHO CC(C)N1CCN(CCC[N@@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000408519456 403824078 /nfs/dbraw/zinc/82/40/78/403824078.db2.gz OTUKEWUNTSGFME-KRWDZBQOSA-N 1 3 311.539 2.230 50 0 DEAAHO CC(C)N1CCN(CCC[N@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000408519456 403824088 /nfs/dbraw/zinc/82/40/88/403824088.db2.gz OTUKEWUNTSGFME-KRWDZBQOSA-N 1 3 311.539 2.230 50 0 DEAAHO c1ccc(N2CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)nc1 ZINC000072145380 275067751 /nfs/dbraw/zinc/06/77/51/275067751.db2.gz MYWDLSFGZGRMFY-ZWKOTPCHSA-N 1 3 314.477 2.468 50 0 DEAAHO CC[N@H+](C)C[C@H](C)NCCc1nc(C)cc(C(F)(F)F)n1 ZINC001506420695 1061963896 /nfs/dbraw/zinc/96/38/96/1061963896.db2.gz AKTFZLQSLWONPC-NSHDSACASA-N 1 3 304.360 2.276 50 0 DEAAHO CC[N@@H+](C)C[C@H](C)NCCc1nc(C)cc(C(F)(F)F)n1 ZINC001506420695 1061963914 /nfs/dbraw/zinc/96/39/14/1061963914.db2.gz AKTFZLQSLWONPC-NSHDSACASA-N 1 3 304.360 2.276 50 0 DEAAHO CN1CCC(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000081301669 355418331 /nfs/dbraw/zinc/41/83/31/355418331.db2.gz ZJKWOTSABSFCKL-UHFFFAOYSA-N 1 3 307.482 2.099 50 0 DEAAHO COC[C@H]1C[N@H+](C)CC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000169789863 355984855 /nfs/dbraw/zinc/98/48/55/355984855.db2.gz XMBMUHAHJLPLKQ-QGZVFWFLSA-N 1 3 318.461 2.485 50 0 DEAAHO COC[C@H]1C[N@@H+](C)CC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000169789863 355984860 /nfs/dbraw/zinc/98/48/60/355984860.db2.gz XMBMUHAHJLPLKQ-QGZVFWFLSA-N 1 3 318.461 2.485 50 0 DEAAHO C[C@]1(CO)CCCCN1C/C=C\C[N@@H+]1CCCC[C@@]1(C)CO ZINC000606442230 361008346 /nfs/dbraw/zinc/00/83/46/361008346.db2.gz HRGQDTNSUTYICD-UNWHRZBZSA-N 1 3 310.482 2.016 50 0 DEAAHO C[C@]1(CO)CCCCN1C/C=C\C[N@H+]1CCCC[C@@]1(C)CO ZINC000606442230 361008350 /nfs/dbraw/zinc/00/83/50/361008350.db2.gz HRGQDTNSUTYICD-UNWHRZBZSA-N 1 3 310.482 2.016 50 0 DEAAHO C[C@]1(CO)CCCC[N@H+]1C/C=C\CN1CCCC[C@@]1(C)CO ZINC000606442230 361008353 /nfs/dbraw/zinc/00/83/53/361008353.db2.gz HRGQDTNSUTYICD-UNWHRZBZSA-N 1 3 310.482 2.016 50 0 DEAAHO C[C@]1(CO)CCCC[N@@H+]1C/C=C\CN1CCCC[C@@]1(C)CO ZINC000606442230 361008357 /nfs/dbraw/zinc/00/83/57/361008357.db2.gz HRGQDTNSUTYICD-UNWHRZBZSA-N 1 3 310.482 2.016 50 0 DEAAHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000095422349 402032621 /nfs/dbraw/zinc/03/26/21/402032621.db2.gz QGYZQWRAOUWWKR-HOCLYGCPSA-N 1 3 309.498 2.091 50 0 DEAAHO Cc1nn(C)c(C)c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000067452815 402159990 /nfs/dbraw/zinc/15/99/90/402159990.db2.gz RYPJHTFLCBCDNL-KBPBESRZSA-N 1 3 308.470 2.016 50 0 DEAAHO CC(C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000067713554 402169962 /nfs/dbraw/zinc/16/99/62/402169962.db2.gz NBTVUHAZQMQCHD-AWEZNQCLSA-N 1 3 324.513 2.325 50 0 DEAAHO CC(C)NC(=O)NC[C@@H]1CC[N@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000067713554 402169965 /nfs/dbraw/zinc/16/99/65/402169965.db2.gz NBTVUHAZQMQCHD-AWEZNQCLSA-N 1 3 324.513 2.325 50 0 DEAAHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237728912 402419386 /nfs/dbraw/zinc/41/93/86/402419386.db2.gz LZCSTPKYZLCGEY-RDJZCZTQSA-N 1 3 315.461 2.203 50 0 DEAAHO [NH3+][C@H]1CN(C(=O)CN2CCCCCCC2)C[C@@H]1c1ccccc1 ZINC000091468590 539419369 /nfs/dbraw/zinc/41/93/69/539419369.db2.gz UTVLEODTPAEVQL-MSOLQXFVSA-N 1 3 315.461 2.206 50 0 DEAAHO C[NH+](C)CCN1CC2(CCC1=O)CCN(Cc1ccoc1)CC2 ZINC000095356767 402026865 /nfs/dbraw/zinc/02/68/65/402026865.db2.gz CLWCTADGKJZCGB-UHFFFAOYSA-N 1 3 319.449 2.046 50 0 DEAAHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000095422347 402032537 /nfs/dbraw/zinc/03/25/37/402032537.db2.gz QGYZQWRAOUWWKR-ZBFHGGJFSA-N 1 3 309.498 2.091 50 0 DEAAHO C[N@@H+]1CCC[C@@H]1CCN1CCN(C2Cc3ccccc3C2)CC1 ZINC000244787614 402449360 /nfs/dbraw/zinc/44/93/60/402449360.db2.gz QAIALUKLFCIEIO-LJQANCHMSA-N 1 3 313.489 2.256 50 0 DEAAHO C[N@H+]1CCC[C@@H]1CCN1CCN(C2Cc3ccccc3C2)CC1 ZINC000244787614 402449361 /nfs/dbraw/zinc/44/93/61/402449361.db2.gz QAIALUKLFCIEIO-LJQANCHMSA-N 1 3 313.489 2.256 50 0 DEAAHO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CCN(C)CC2)C1 ZINC000239667468 281358293 /nfs/dbraw/zinc/35/82/93/281358293.db2.gz BQGXPVQEKIGHRH-CQNRTFJUSA-N 1 3 300.512 2.386 50 0 DEAAHO CC(C)[C@H]1CN(C(=O)CC[NH3+])CCCN1Cc1ccc(F)cc1 ZINC000071760115 191026320 /nfs/dbraw/zinc/02/63/20/191026320.db2.gz ITEXZAGHDVGHTR-QGZVFWFLSA-N 1 3 321.440 2.233 50 0 DEAAHO C[N@@H+]1C[C@H](CO)C2(C1)CCN(Cc1ccc3cc[nH]c3c1)CC2 ZINC000169750479 355979684 /nfs/dbraw/zinc/97/96/84/355979684.db2.gz JPWLFIWZLWTLPW-QGZVFWFLSA-N 1 3 313.445 2.304 50 0 DEAAHO C[N@H+]1C[C@H](CO)C2(C1)CCN(Cc1ccc3cc[nH]c3c1)CC2 ZINC000169750479 355979688 /nfs/dbraw/zinc/97/96/88/355979688.db2.gz JPWLFIWZLWTLPW-QGZVFWFLSA-N 1 3 313.445 2.304 50 0 DEAAHO CCc1ccc(CN2CCC3(C[N@H+](C)C[C@@H]3CO)CC2)cc1 ZINC000169783985 355982883 /nfs/dbraw/zinc/98/28/83/355982883.db2.gz RLJAQCMBWVCEHA-GOSISDBHSA-N 1 3 302.462 2.385 50 0 DEAAHO CCc1ccc(CN2CCC3(C[N@@H+](C)C[C@@H]3CO)CC2)cc1 ZINC000169783985 355982886 /nfs/dbraw/zinc/98/28/86/355982886.db2.gz RLJAQCMBWVCEHA-GOSISDBHSA-N 1 3 302.462 2.385 50 0 DEAAHO CCc1ccc(CN2CCC3(C[N@H+](C)C[C@H]3CO)CC2)cc1 ZINC000169783986 355983291 /nfs/dbraw/zinc/98/32/91/355983291.db2.gz RLJAQCMBWVCEHA-SFHVURJKSA-N 1 3 302.462 2.385 50 0 DEAAHO CCc1ccc(CN2CCC3(C[N@@H+](C)C[C@H]3CO)CC2)cc1 ZINC000169783986 355983294 /nfs/dbraw/zinc/98/32/94/355983294.db2.gz RLJAQCMBWVCEHA-SFHVURJKSA-N 1 3 302.462 2.385 50 0 DEAAHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([NH3+])CC1 ZINC000237046143 202134880 /nfs/dbraw/zinc/13/48/80/202134880.db2.gz GEZKAHTYBCSQLU-UHFFFAOYSA-N 1 3 301.390 2.058 50 0 DEAAHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237728308 202340565 /nfs/dbraw/zinc/34/05/65/202340565.db2.gz LZCSTPKYZLCGEY-WBVHZDCISA-N 1 3 315.461 2.203 50 0 DEAAHO C[NH+](C)CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000020102801 182187135 /nfs/dbraw/zinc/18/71/35/182187135.db2.gz GEAVCCRRMKUMFM-UHFFFAOYSA-N 1 3 321.440 2.106 50 0 DEAAHO Cc1cccc(=O)n1CCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484336 402094756 /nfs/dbraw/zinc/09/47/56/402094756.db2.gz MJHQVDUIAVCTIA-DLBZAZTESA-N 1 3 303.450 2.153 50 0 DEAAHO Cc1cccc(=O)n1CCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484336 402094759 /nfs/dbraw/zinc/09/47/59/402094759.db2.gz MJHQVDUIAVCTIA-DLBZAZTESA-N 1 3 303.450 2.153 50 0 DEAAHO Cc1cccc(=O)n1CCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000096484336 402094761 /nfs/dbraw/zinc/09/47/61/402094761.db2.gz MJHQVDUIAVCTIA-DLBZAZTESA-N 1 3 303.450 2.153 50 0 DEAAHO [NH3+][C@H]1CCCN(Cc2ccc(OCCn3ccnc3)cc2)CC1 ZINC000097743150 402132002 /nfs/dbraw/zinc/13/20/02/402132002.db2.gz CBRUTJOETTWURT-KRWDZBQOSA-N 1 3 314.433 2.275 50 0 DEAAHO CC1CC[NH+](Cc2ccccc2CNC(=O)CNC2CC2)CC1 ZINC000154623059 402222135 /nfs/dbraw/zinc/22/21/35/402222135.db2.gz YWQSKYDXVYYSQM-UHFFFAOYSA-N 1 3 315.461 2.287 50 0 DEAAHO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744027 402747398 /nfs/dbraw/zinc/74/73/98/402747398.db2.gz CHESMUBNGVMFBO-ROUUACIJSA-N 1 3 311.514 2.028 50 0 DEAAHO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744027 402747399 /nfs/dbraw/zinc/74/73/99/402747399.db2.gz CHESMUBNGVMFBO-ROUUACIJSA-N 1 3 311.514 2.028 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269268323 403126655 /nfs/dbraw/zinc/12/66/55/403126655.db2.gz QRRWXWAACIJVDL-UAGQMJEPSA-N 1 3 303.450 2.235 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269268323 403126657 /nfs/dbraw/zinc/12/66/57/403126657.db2.gz QRRWXWAACIJVDL-UAGQMJEPSA-N 1 3 303.450 2.235 50 0 DEAAHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000089595013 288103136 /nfs/dbraw/zinc/10/31/36/288103136.db2.gz VCASDZHAFUFHEY-FGTMMUONSA-N 1 3 323.525 2.340 50 0 DEAAHO C[C@@H]1C[C@@H](N(C)C(=O)CNC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237564690 202285009 /nfs/dbraw/zinc/28/50/09/202285009.db2.gz RYTMEIJXRIKBHL-QAPCUYQASA-N 1 3 315.461 2.250 50 0 DEAAHO C[C@@H]1C[C@@H](N(C)C(=O)CNC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000237564690 202285013 /nfs/dbraw/zinc/28/50/13/202285013.db2.gz RYTMEIJXRIKBHL-QAPCUYQASA-N 1 3 315.461 2.250 50 0 DEAAHO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)N)CC[N@@H+]1Cc1ccccc1 ZINC000237582823 202291862 /nfs/dbraw/zinc/29/18/62/202291862.db2.gz HUJGRTKIOVSDRZ-GOEBONIOSA-N 1 3 303.450 2.235 50 0 DEAAHO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)N)CC[N@H+]1Cc1ccccc1 ZINC000237582823 202291866 /nfs/dbraw/zinc/29/18/66/202291866.db2.gz HUJGRTKIOVSDRZ-GOEBONIOSA-N 1 3 303.450 2.235 50 0 DEAAHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237728271 202339375 /nfs/dbraw/zinc/33/93/75/202339375.db2.gz LZCSTPKYZLCGEY-NVXWUHKLSA-N 1 3 315.461 2.203 50 0 DEAAHO Cc1ccc([C@H](C)CC[N@H+]2CCC(=O)N(CCN(C)C)CC2)o1 ZINC000670434984 540932609 /nfs/dbraw/zinc/93/26/09/540932609.db2.gz WWBXSYXSXGDKOO-OAHLLOKOSA-N 1 3 321.465 2.178 50 0 DEAAHO Cc1ccc([C@H](C)CC[N@@H+]2CCC(=O)N(CCN(C)C)CC2)o1 ZINC000670434984 540932611 /nfs/dbraw/zinc/93/26/11/540932611.db2.gz WWBXSYXSXGDKOO-OAHLLOKOSA-N 1 3 321.465 2.178 50 0 DEAAHO CC(C)=CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000096424694 402083735 /nfs/dbraw/zinc/08/37/35/402083735.db2.gz ZWGNTKWZUOXDHZ-UHFFFAOYSA-N 1 3 309.498 2.369 50 0 DEAAHO Cc1nccn1CC1CC[NH+](CCN2C[C@H]3CC[C@@H]2C3)CC1 ZINC000252497031 402656790 /nfs/dbraw/zinc/65/67/90/402656790.db2.gz PXQVZKPUGCGALM-ZWKOTPCHSA-N 1 3 302.466 2.388 50 0 DEAAHO C[C@@H]1C[NH2+]CCN1Cc1cccc(OCCN2CCCCC2)c1 ZINC000215528943 288319803 /nfs/dbraw/zinc/31/98/03/288319803.db2.gz QVFAINRCJYAUIW-QGZVFWFLSA-N 1 3 317.477 2.345 50 0 DEAAHO CC[NH+]1CCC(NC[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000032500645 332218882 /nfs/dbraw/zinc/21/88/82/332218882.db2.gz WJKMWZHTSZKQCG-KRWDZBQOSA-N 1 3 306.450 2.117 50 0 DEAAHO CC[C@@H](N)C(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000299738831 563497108 /nfs/dbraw/zinc/49/71/08/563497108.db2.gz HAMNLXZONDXTFR-ATLSCFEFSA-N 1 3 317.477 2.339 50 0 DEAAHO CC[C@@H](N)C(=O)N(C)[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000299738831 563497110 /nfs/dbraw/zinc/49/71/10/563497110.db2.gz HAMNLXZONDXTFR-ATLSCFEFSA-N 1 3 317.477 2.339 50 0 DEAAHO [NH3+][C@@H]1c2ccccc2C2(CCN(Cc3cccc(O)c3)CC2)[C@H]1O ZINC000072169974 191068371 /nfs/dbraw/zinc/06/83/71/191068371.db2.gz RXBZGLXCBQXRBC-MOPGFXCFSA-N 1 3 324.424 2.300 50 0 DEAAHO Cc1ccccc1[C@@H](C)CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000072286505 354899682 /nfs/dbraw/zinc/89/96/82/354899682.db2.gz UBOYEDJWLKIBKQ-KRWDZBQOSA-N 1 3 319.493 2.440 50 0 DEAAHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)C1(N2CCOCC2)CCCC1 ZINC000097101754 355702474 /nfs/dbraw/zinc/70/24/74/355702474.db2.gz KXKQVNNSHDEDTM-IAGOWNOFSA-N 1 3 309.498 2.094 50 0 DEAAHO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101754 355702479 /nfs/dbraw/zinc/70/24/79/355702479.db2.gz KXKQVNNSHDEDTM-IAGOWNOFSA-N 1 3 309.498 2.094 50 0 DEAAHO C[C@@H](NCC[C@H]1CCC[N@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101754 355702482 /nfs/dbraw/zinc/70/24/82/355702482.db2.gz KXKQVNNSHDEDTM-IAGOWNOFSA-N 1 3 309.498 2.094 50 0 DEAAHO COC[C@@H]1C[N@H+](C)CC12CCN(Cc1scnc1C)CC2 ZINC000169789842 355983367 /nfs/dbraw/zinc/98/33/67/355983367.db2.gz WJTKFHUJLDSSCO-AWEZNQCLSA-N 1 3 309.479 2.242 50 0 DEAAHO COC[C@@H]1C[N@@H+](C)CC12CCN(Cc1scnc1C)CC2 ZINC000169789842 355983371 /nfs/dbraw/zinc/98/33/71/355983371.db2.gz WJTKFHUJLDSSCO-AWEZNQCLSA-N 1 3 309.479 2.242 50 0 DEAAHO CN1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057139577 184027938 /nfs/dbraw/zinc/02/79/38/184027938.db2.gz AOGGNWAQWFNOGZ-UHFFFAOYSA-N 1 3 315.461 2.109 50 0 DEAAHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000089374771 401943792 /nfs/dbraw/zinc/94/37/92/401943792.db2.gz IYYDWUDGCMVAKM-MQVJKMGUSA-N 1 3 304.434 2.461 50 0 DEAAHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000089374771 401943794 /nfs/dbraw/zinc/94/37/94/401943794.db2.gz IYYDWUDGCMVAKM-MQVJKMGUSA-N 1 3 304.434 2.461 50 0 DEAAHO CN1CCC(C[N@@H+]2CC[C@H](CNC(=O)C3CCCCC3)C2)CC1 ZINC000067756868 402171745 /nfs/dbraw/zinc/17/17/45/402171745.db2.gz XJYDHDVTJMARBG-QGZVFWFLSA-N 1 3 321.509 2.347 50 0 DEAAHO CN1CCC(C[N@H+]2CC[C@H](CNC(=O)C3CCCCC3)C2)CC1 ZINC000067756868 402171747 /nfs/dbraw/zinc/17/17/47/402171747.db2.gz XJYDHDVTJMARBG-QGZVFWFLSA-N 1 3 321.509 2.347 50 0 DEAAHO CC[C@H](C(N)=O)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000069871662 402248320 /nfs/dbraw/zinc/24/83/20/402248320.db2.gz BHCDPBRUFLRYSG-QGZVFWFLSA-N 1 3 317.477 2.484 50 0 DEAAHO [NH3+][C@@H]1CCN(Cc2cccc(OCCN3CCCCC3)c2)C1 ZINC000215958455 402285806 /nfs/dbraw/zinc/28/58/06/402285806.db2.gz OZLUAUAVAUDDOD-QGZVFWFLSA-N 1 3 303.450 2.084 50 0 DEAAHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000095422350 185361000 /nfs/dbraw/zinc/36/10/00/185361000.db2.gz QGYZQWRAOUWWKR-GOEBONIOSA-N 1 3 309.498 2.091 50 0 DEAAHO COc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004785353 181151568 /nfs/dbraw/zinc/15/15/68/181151568.db2.gz YPTJQGIRFIIISJ-RKVPGOIHSA-N 1 3 306.450 2.266 50 0 DEAAHO COc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785353 181151571 /nfs/dbraw/zinc/15/15/71/181151571.db2.gz YPTJQGIRFIIISJ-RKVPGOIHSA-N 1 3 306.450 2.266 50 0 DEAAHO CCOc1cccc(CN2CCC([C@@H]3C[NH2+]C[C@H]3CO)CC2)c1 ZINC000169789008 355984171 /nfs/dbraw/zinc/98/41/71/355984171.db2.gz ISWFGVAWHGKLIS-HKUYNNGSSA-N 1 3 318.461 2.125 50 0 DEAAHO COc1ccc(CN(C)C[C@H]2CCC[N@H+](CCO)C2)c(C)c1 ZINC000670459525 540936942 /nfs/dbraw/zinc/93/69/42/540936942.db2.gz QVMYKJAWWKQWGY-MRXNPFEDSA-N 1 3 306.450 2.140 50 0 DEAAHO COc1ccc(CN(C)C[C@H]2CCC[N@@H+](CCO)C2)c(C)c1 ZINC000670459525 540936943 /nfs/dbraw/zinc/93/69/43/540936943.db2.gz QVMYKJAWWKQWGY-MRXNPFEDSA-N 1 3 306.450 2.140 50 0 DEAAHO CC(C)C[NH+]1CCC(C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000065405234 184338097 /nfs/dbraw/zinc/33/80/97/184338097.db2.gz VSCXVZWFXIGFQU-MRXNPFEDSA-N 1 3 309.498 2.203 50 0 DEAAHO CCN1CCC[C@H]1CNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067674266 402167226 /nfs/dbraw/zinc/16/72/26/402167226.db2.gz UUCAQIYSGDHTEV-HNNXBMFYSA-N 1 3 303.454 2.148 50 0 DEAAHO Cc1cccc(=O)n1CCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000241368006 402443700 /nfs/dbraw/zinc/44/37/00/402443700.db2.gz MJHQVDUIAVCTIA-SJORKVTESA-N 1 3 303.450 2.153 50 0 DEAAHO Cc1cccc(=O)n1CCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000241368006 402443704 /nfs/dbraw/zinc/44/37/04/402443704.db2.gz MJHQVDUIAVCTIA-SJORKVTESA-N 1 3 303.450 2.153 50 0 DEAAHO Cc1cccc(=O)n1CCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000241368006 402443708 /nfs/dbraw/zinc/44/37/08/402443708.db2.gz MJHQVDUIAVCTIA-SJORKVTESA-N 1 3 303.450 2.153 50 0 DEAAHO COC[C@H](NC1CCC2(CC[NH2+]CC2)CC1)c1ccnn1C ZINC000067770429 293146447 /nfs/dbraw/zinc/14/64/47/293146447.db2.gz WBIVZXAQUYFTPB-HNNXBMFYSA-N 1 3 306.454 2.010 50 0 DEAAHO C[NH+](C)CC1(O)CCN(CCCc2c(F)cccc2F)CC1 ZINC000864090950 686617274 /nfs/dbraw/zinc/61/72/74/686617274.db2.gz GWCUZXPTWMXLMG-UHFFFAOYSA-N 1 3 312.404 2.286 50 0 DEAAHO c1ccc(N2CC[C@@H](N3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001506416216 1061959832 /nfs/dbraw/zinc/95/98/32/1061959832.db2.gz VIIVWZWYERPKLG-LJQANCHMSA-N 1 3 308.429 2.483 50 0 DEAAHO CC[NH+](CC)CCNC(=O)C1CCN(Cc2ccc(C)o2)CC1 ZINC000015855929 182021560 /nfs/dbraw/zinc/02/15/60/182021560.db2.gz XPXUBMNAJIJGLH-UHFFFAOYSA-N 1 3 321.465 2.258 50 0 DEAAHO CN1CC2(c3ccccc3)C[NH+](C)CC(c3ccccc3)(C1)C2=O ZINC000019857060 182158530 /nfs/dbraw/zinc/15/85/30/182158530.db2.gz SXWZIHPBPHHLQI-UHFFFAOYSA-N 1 3 320.436 2.322 50 0 DEAAHO COCC[N@H+](C)CC1CCN(Cc2ccccc2OC)CC1 ZINC000011997963 401778261 /nfs/dbraw/zinc/77/82/61/401778261.db2.gz AAXJUIJGMLYDIU-UHFFFAOYSA-N 1 3 306.450 2.485 50 0 DEAAHO COCC[N@@H+](C)CC1CCN(Cc2ccccc2OC)CC1 ZINC000011997963 401778262 /nfs/dbraw/zinc/77/82/62/401778262.db2.gz AAXJUIJGMLYDIU-UHFFFAOYSA-N 1 3 306.450 2.485 50 0 DEAAHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000089930307 401974417 /nfs/dbraw/zinc/97/44/17/401974417.db2.gz BKADSUXQNCKAFZ-JZXOWHBKSA-N 1 3 310.482 2.234 50 0 DEAAHO CC(C)NC(=O)NC[C@H]1CC[N@@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000067713555 402169753 /nfs/dbraw/zinc/16/97/53/402169753.db2.gz NBTVUHAZQMQCHD-CQSZACIVSA-N 1 3 324.513 2.325 50 0 DEAAHO CC(C)NC(=O)NC[C@H]1CC[N@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000067713555 402169755 /nfs/dbraw/zinc/16/97/55/402169755.db2.gz NBTVUHAZQMQCHD-CQSZACIVSA-N 1 3 324.513 2.325 50 0 DEAAHO [NH3+][C@H]1CCN(Cc2cccc(OCCN3CCCCC3)c2)C1 ZINC000215958407 402285827 /nfs/dbraw/zinc/28/58/27/402285827.db2.gz OZLUAUAVAUDDOD-KRWDZBQOSA-N 1 3 303.450 2.084 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269250900 403125359 /nfs/dbraw/zinc/12/53/59/403125359.db2.gz HAMNLXZONDXTFR-CIRFHOKZSA-N 1 3 317.477 2.339 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269250900 403125362 /nfs/dbraw/zinc/12/53/62/403125362.db2.gz HAMNLXZONDXTFR-CIRFHOKZSA-N 1 3 317.477 2.339 50 0 DEAAHO C[C@@H]([NH2+]CC1(C)OCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272832785 278340178 /nfs/dbraw/zinc/34/01/78/278340178.db2.gz QGAFZECMVJBOEF-NVXWUHKLSA-N 1 3 304.434 2.250 50 0 DEAAHO CC(C)CN1CCC([NH2+]C[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000067678962 278869595 /nfs/dbraw/zinc/86/95/95/278869595.db2.gz LVUCOKDIBKSKEF-MRXNPFEDSA-N 1 3 321.509 2.488 50 0 DEAAHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000089930309 288156836 /nfs/dbraw/zinc/15/68/36/288156836.db2.gz BKADSUXQNCKAFZ-NUJGCVRESA-N 1 3 310.482 2.234 50 0 DEAAHO COc1ccc(CN(C)CC2CC[NH+](C)CC2)c(OC)c1OC ZINC000019336703 182116784 /nfs/dbraw/zinc/11/67/84/182116784.db2.gz BOSBDAYHMOLXBX-UHFFFAOYSA-N 1 3 322.449 2.486 50 0 DEAAHO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000134114296 522382174 /nfs/dbraw/zinc/38/21/74/522382174.db2.gz KYMKTDUVUFJEAD-QGZVFWFLSA-N 1 3 301.434 2.106 50 0 DEAAHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)C(C)(C)C)C1 ZINC000952845095 792774834 /nfs/dbraw/zinc/77/48/34/792774834.db2.gz PXDYQABZFYKPJG-PMPSAXMXSA-N 1 3 309.498 2.473 50 0 DEAAHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)C(C)(C)C)C1 ZINC000952845095 792774838 /nfs/dbraw/zinc/77/48/38/792774838.db2.gz PXDYQABZFYKPJG-PMPSAXMXSA-N 1 3 309.498 2.473 50 0 DEAAHO C[C@@H](C1CC[NH+](Cc2ccc(O)cc2)CC1)N1CCOCC1 ZINC000072473641 191174986 /nfs/dbraw/zinc/17/49/86/191174986.db2.gz QWSKIDYNMAWGSU-HNNXBMFYSA-N 1 3 304.434 2.325 50 0 DEAAHO Cc1cccc(C)c1CN1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091486815 193062896 /nfs/dbraw/zinc/06/28/96/193062896.db2.gz OQLGUVQMHSYBMI-QZTJIDSGSA-N 1 3 302.462 2.440 50 0 DEAAHO Cc1cccc(C)c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCCC2)C1 ZINC000091486815 193062898 /nfs/dbraw/zinc/06/28/98/193062898.db2.gz OQLGUVQMHSYBMI-QZTJIDSGSA-N 1 3 302.462 2.440 50 0 DEAAHO Cc1cccc(C)c1C[N@H+]1C[C@H](CO)[C@H](CN2CCCC2)C1 ZINC000091486815 193062899 /nfs/dbraw/zinc/06/28/99/193062899.db2.gz OQLGUVQMHSYBMI-QZTJIDSGSA-N 1 3 302.462 2.440 50 0 DEAAHO C[NH+](C)C1CCN(CCN[C@H]2CCc3ccc(F)cc32)CC1 ZINC000095968943 402038461 /nfs/dbraw/zinc/03/84/61/402038461.db2.gz HMYGFWJZYOUHTE-SFHVURJKSA-N 1 3 305.441 2.429 50 0 DEAAHO Cc1cccc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)c1 ZINC000069971719 402253582 /nfs/dbraw/zinc/25/35/82/402253582.db2.gz QTDKREOQMRQLRT-UHFFFAOYSA-N 1 3 301.478 2.454 50 0 DEAAHO CC[C@@]1(O)CCCN(Cc2ccccc2OCC[NH+](C)C)C1 ZINC000215399376 402283334 /nfs/dbraw/zinc/28/33/34/402283334.db2.gz VWSWSERJRBVVDE-GOSISDBHSA-N 1 3 306.450 2.364 50 0 DEAAHO Cc1nc(C(F)(F)F)ncc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000426541740 405367872 /nfs/dbraw/zinc/36/78/72/405367872.db2.gz XBJWDJKFOSWYOV-UHFFFAOYSA-N 1 3 314.355 2.379 50 0 DEAAHO CCCCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000408514190 528190485 /nfs/dbraw/zinc/19/04/85/528190485.db2.gz LYQHRQCLFHGWFG-UHFFFAOYSA-N 1 3 309.498 2.489 50 0 DEAAHO Cc1ccc(OCCC[N@@H+](C)C[C@]2(O)CCCNC2)c(C)c1 ZINC000072432955 191164499 /nfs/dbraw/zinc/16/44/99/191164499.db2.gz TWBCTGQLZNJGKD-SFHVURJKSA-N 1 3 306.450 2.119 50 0 DEAAHO Cc1ccc(OCCC[N@H+](C)C[C@]2(O)CCCNC2)c(C)c1 ZINC000072432955 191164502 /nfs/dbraw/zinc/16/45/02/191164502.db2.gz TWBCTGQLZNJGKD-SFHVURJKSA-N 1 3 306.450 2.119 50 0 DEAAHO O[C@]1(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)CCCNC1 ZINC000072478365 191179582 /nfs/dbraw/zinc/17/95/82/191179582.db2.gz BFTGUQNHRSMGLX-GOSISDBHSA-N 1 3 306.425 2.342 50 0 DEAAHO O[C@]1(CNCC2(c3ccc(F)cc3)CCCC2)CCC[NH2+]C1 ZINC000072478365 191179583 /nfs/dbraw/zinc/17/95/83/191179583.db2.gz BFTGUQNHRSMGLX-GOSISDBHSA-N 1 3 306.425 2.342 50 0 DEAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccoc1)CC[NH+](C)CC2 ZINC000072477376 191179904 /nfs/dbraw/zinc/17/99/04/191179904.db2.gz KFQDAXPEDVDRNL-INIZCTEOSA-N 1 3 319.449 2.092 50 0 DEAAHO COC[C@@H]1C[N@H+](C)CC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000169789862 355984439 /nfs/dbraw/zinc/98/44/39/355984439.db2.gz XMBMUHAHJLPLKQ-KRWDZBQOSA-N 1 3 318.461 2.485 50 0 DEAAHO COC[C@@H]1C[N@@H+](C)CC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000169789862 355984444 /nfs/dbraw/zinc/98/44/44/355984444.db2.gz XMBMUHAHJLPLKQ-KRWDZBQOSA-N 1 3 318.461 2.485 50 0 DEAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000236905392 202062971 /nfs/dbraw/zinc/06/29/71/202062971.db2.gz KWQDCMHAIUAIRC-UAGQMJEPSA-N 1 3 303.450 2.265 50 0 DEAAHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000236905392 202062972 /nfs/dbraw/zinc/06/29/72/202062972.db2.gz KWQDCMHAIUAIRC-UAGQMJEPSA-N 1 3 303.450 2.265 50 0 DEAAHO O=[N+](NOCCON=[N+]([O-])c1ccccc1)c1ccccc1 ZINC000584904304 357332252 /nfs/dbraw/zinc/33/22/52/357332252.db2.gz HMKXFIHSFLYTBG-UHFFFAOYSA-N 1 3 304.306 2.080 50 0 DEAAHO CN(Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000089761678 401961463 /nfs/dbraw/zinc/96/14/63/401961463.db2.gz PKTGDXMTAVJKAB-QGZVFWFLSA-N 1 3 317.477 2.355 50 0 DEAAHO CN(Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000089761678 401961467 /nfs/dbraw/zinc/96/14/67/401961467.db2.gz PKTGDXMTAVJKAB-QGZVFWFLSA-N 1 3 317.477 2.355 50 0 DEAAHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000107510727 402234637 /nfs/dbraw/zinc/23/46/37/402234637.db2.gz BKADSUXQNCKAFZ-SOLBZPMBSA-N 1 3 310.482 2.234 50 0 DEAAHO CN(C(=O)C1(N)CC1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072462860 191172449 /nfs/dbraw/zinc/17/24/49/191172449.db2.gz YWDFMRLTXXLZAY-QGZVFWFLSA-N 1 3 315.461 2.033 50 0 DEAAHO CN(C(=O)C1(N)CC1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072462860 191172451 /nfs/dbraw/zinc/17/24/51/191172451.db2.gz YWDFMRLTXXLZAY-QGZVFWFLSA-N 1 3 315.461 2.033 50 0 DEAAHO C[C@H](C1CC[NH+](Cc2ccc(O)cc2)CC1)N1CCOCC1 ZINC000072473642 191175157 /nfs/dbraw/zinc/17/51/57/191175157.db2.gz QWSKIDYNMAWGSU-OAHLLOKOSA-N 1 3 304.434 2.325 50 0 DEAAHO Cc1ccsc1CN(C)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072477596 191179926 /nfs/dbraw/zinc/17/99/26/191179926.db2.gz XDHUBPDXOWTYOG-AWEZNQCLSA-N 1 3 321.490 2.089 50 0 DEAAHO COc1ccc(CNCC[C@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004785355 181151805 /nfs/dbraw/zinc/15/18/05/181151805.db2.gz YPTJQGIRFIIISJ-VKJFTORMSA-N 1 3 306.450 2.266 50 0 DEAAHO COc1ccc(CNCC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785355 181151807 /nfs/dbraw/zinc/15/18/07/181151807.db2.gz YPTJQGIRFIIISJ-VKJFTORMSA-N 1 3 306.450 2.266 50 0 DEAAHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000237728230 202340067 /nfs/dbraw/zinc/34/00/67/202340067.db2.gz YCTUKHVQUHMCIV-QZTJIDSGSA-N 1 3 315.461 2.203 50 0 DEAAHO Cc1ccc(CN2CCC(C(=O)NCCC[NH+](C)C)CC2)cc1 ZINC000020102852 182186841 /nfs/dbraw/zinc/18/68/41/182186841.db2.gz ZDWWVJMYUDUGCF-UHFFFAOYSA-N 1 3 317.477 2.275 50 0 DEAAHO COCC[NH+]1CCC(NCc2c[nH]nc2-c2ccccc2)CC1 ZINC000065548938 184364572 /nfs/dbraw/zinc/36/45/72/184364572.db2.gz CNWYAMGONXKVNI-UHFFFAOYSA-N 1 3 314.433 2.277 50 0 DEAAHO C[NH+](C)CCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010339015 401769790 /nfs/dbraw/zinc/76/97/90/401769790.db2.gz WBAMTFPAGYUACS-UHFFFAOYSA-N 1 3 303.450 2.354 50 0 DEAAHO CN(Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000089761679 401961152 /nfs/dbraw/zinc/96/11/52/401961152.db2.gz PKTGDXMTAVJKAB-KRWDZBQOSA-N 1 3 317.477 2.355 50 0 DEAAHO CN(Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000089761679 401961156 /nfs/dbraw/zinc/96/11/56/401961156.db2.gz PKTGDXMTAVJKAB-KRWDZBQOSA-N 1 3 317.477 2.355 50 0 DEAAHO c1ccc(-c2ncc(CN3CCC4(C3)CC[NH2+]CC4)cn2)nc1 ZINC000067909705 402177837 /nfs/dbraw/zinc/17/78/37/402177837.db2.gz OREQAUJMQPEQHU-UHFFFAOYSA-N 1 3 309.417 2.114 50 0 DEAAHO Cn1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2ccncc2)n1 ZINC000071825215 402283381 /nfs/dbraw/zinc/28/33/81/402283381.db2.gz QTZNYQSMNMBKSR-CQSZACIVSA-N 1 3 311.433 2.056 50 0 DEAAHO CC(C)[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236715059 402377188 /nfs/dbraw/zinc/37/71/88/402377188.db2.gz IKMRZSRACLELKB-JQHSSLGASA-N 1 3 317.477 2.481 50 0 DEAAHO CC(C)[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236715059 402377192 /nfs/dbraw/zinc/37/71/92/402377192.db2.gz IKMRZSRACLELKB-JQHSSLGASA-N 1 3 317.477 2.481 50 0 DEAAHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@](C)(N)C2CC2)C1 ZINC000408519119 534164231 /nfs/dbraw/zinc/16/42/31/534164231.db2.gz WCHAOGAUGXNGNM-IIDMSEBBSA-N 1 3 307.482 2.227 50 0 DEAAHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@](C)(N)C2CC2)C1 ZINC000408519119 534164236 /nfs/dbraw/zinc/16/42/36/534164236.db2.gz WCHAOGAUGXNGNM-IIDMSEBBSA-N 1 3 307.482 2.227 50 0 DEAAHO CCNc1cc[nH+]c(CN2CCN(CCOC)[C@H](CC)C2)c1 ZINC000089949227 185270986 /nfs/dbraw/zinc/27/09/86/185270986.db2.gz HKCBEWQVCNWUDM-QGZVFWFLSA-N 1 3 306.454 2.056 50 0 DEAAHO C[C@H]1CN(CC2CC[NH+](CCc3ccncc3)CC2)C[C@H](C)O1 ZINC000069484319 184518297 /nfs/dbraw/zinc/51/82/97/184518297.db2.gz SPRXGOCAUKSXNA-IRXDYDNUSA-N 1 3 317.477 2.445 50 0 DEAAHO CC(C)(C)C[NH+]1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011817602 401776957 /nfs/dbraw/zinc/77/69/57/401776957.db2.gz FLTYMHSTEWGZBY-OAHLLOKOSA-N 1 3 321.509 2.488 50 0 DEAAHO C[C@@H](C1CCN(Cc2ccc(O)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077389192 401813660 /nfs/dbraw/zinc/81/36/60/401813660.db2.gz IITNBXFHWVNBPU-INIZCTEOSA-N 1 3 317.477 2.240 50 0 DEAAHO COCc1cc(CN(C)C2CCC3(CC[NH2+]CC3)CC2)[nH]n1 ZINC000067673370 402167132 /nfs/dbraw/zinc/16/71/32/402167132.db2.gz OUXVMWLVNZYWGU-UHFFFAOYSA-N 1 3 306.454 2.300 50 0 DEAAHO [NH3+][C@@H]1CC[C@@H](NC(=O)CC2CCN(Cc3ccccc3)CC2)C1 ZINC000067758145 402171961 /nfs/dbraw/zinc/17/19/61/402171961.db2.gz YSTXYRXJVITPCN-QZTJIDSGSA-N 1 3 315.461 2.285 50 0 DEAAHO C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H](C)N1 ZINC000153834904 402173557 /nfs/dbraw/zinc/17/35/57/402173557.db2.gz FJZIYWSKSMSQET-BETUJISGSA-N 1 3 315.417 2.317 50 0 DEAAHO COc1ccc(F)cc1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069951405 402252778 /nfs/dbraw/zinc/25/27/78/402252778.db2.gz BWGDCJPFYWMHTA-CQSZACIVSA-N 1 3 324.440 2.359 50 0 DEAAHO C[NH+](C)C1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000225474174 402318635 /nfs/dbraw/zinc/31/86/35/402318635.db2.gz YKFWVNMJUQHJEM-KRWDZBQOSA-N 1 3 307.482 2.336 50 0 DEAAHO CN(C)c1ccc(NC2=NC3(CCCCC3)NC(=[NH2+])N2)cc1 ZINC000000203747 683830391 /nfs/dbraw/zinc/83/03/91/683830391.db2.gz PBWSUOAGVAKKOW-UHFFFAOYSA-N 1 3 300.410 2.099 50 0 DEAAHO CCC[NH+]1CCC(N[C@H]2COC[C@H]2Cc2ccncc2)CC1 ZINC001529173121 1070902180 /nfs/dbraw/zinc/90/21/80/1070902180.db2.gz MPVHUQNDYBWXCF-AEFFLSMTSA-N 1 3 303.450 2.103 50 0 DEAAHO Cc1ccc([C@@H](C)CC[N@H+]2CCC(=O)N(CCN(C)C)CC2)o1 ZINC000670434983 540932461 /nfs/dbraw/zinc/93/24/61/540932461.db2.gz WWBXSYXSXGDKOO-HNNXBMFYSA-N 1 3 321.465 2.178 50 0 DEAAHO Cc1ccc([C@@H](C)CC[N@@H+]2CCC(=O)N(CCN(C)C)CC2)o1 ZINC000670434983 540932463 /nfs/dbraw/zinc/93/24/63/540932463.db2.gz WWBXSYXSXGDKOO-HNNXBMFYSA-N 1 3 321.465 2.178 50 0 DEAAHO Cc1nccn1CCC1CCN(c2cc(N)[nH+]c(C)n2)CC1 ZINC000091391138 193049232 /nfs/dbraw/zinc/04/92/32/193049232.db2.gz VIOHMHSQZUNWEE-UHFFFAOYSA-N 1 3 300.410 2.179 50 0 DEAAHO CCN(Cc1ccccc1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072426017 285109580 /nfs/dbraw/zinc/10/95/80/285109580.db2.gz JZGGCKOBYWIWOE-KRWDZBQOSA-N 1 3 315.461 2.109 50 0 DEAAHO CC(C)CC[NH+]1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000012707419 401790390 /nfs/dbraw/zinc/79/03/90/401790390.db2.gz XKMLATWWAKIBIB-INIZCTEOSA-N 1 3 321.509 2.488 50 0 DEAAHO Cc1cc(N2CCN(Cc3ccccc3)C[C@@H](O)C2)cc(C)[nH+]1 ZINC000108257273 402249195 /nfs/dbraw/zinc/24/91/95/402249195.db2.gz DERJUQWTAARMRI-LJQANCHMSA-N 1 3 311.429 2.382 50 0 DEAAHO COc1ccc(F)cc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069951404 402252559 /nfs/dbraw/zinc/25/25/59/402252559.db2.gz BWGDCJPFYWMHTA-AWEZNQCLSA-N 1 3 324.440 2.359 50 0 DEAAHO [NH3+]C1CC(c2cc(N[C@H]3CCN(Cc4ccccc4)C3)ncn2)C1 ZINC000219990167 402300296 /nfs/dbraw/zinc/30/02/96/402300296.db2.gz DVYGHAGDYAPSEI-JCYILVPMSA-N 1 3 323.444 2.368 50 0 DEAAHO CC[NH2+]CC[C@H]1CCC(=O)N1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000299785928 528336092 /nfs/dbraw/zinc/33/60/92/528336092.db2.gz PBCAZEOOJYOSSJ-QZTJIDSGSA-N 1 3 315.461 2.252 50 0 DEAAHO CC(C)[C@@H]1CN(C(=O)CC[NH3+])CCCN1Cc1ccc(F)cc1 ZINC000071760114 191026578 /nfs/dbraw/zinc/02/65/78/191026578.db2.gz ITEXZAGHDVGHTR-KRWDZBQOSA-N 1 3 321.440 2.233 50 0 DEAAHO C1CC([NH+]2CCC(NC3CSCCSC3)CC2)CCO1 ZINC000670445401 540934841 /nfs/dbraw/zinc/93/48/41/540934841.db2.gz DMAZHKANPOXJNZ-UHFFFAOYSA-N 1 3 316.536 2.068 50 0 DEAAHO Cc1cccc(=O)n1CCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484335 402094362 /nfs/dbraw/zinc/09/43/62/402094362.db2.gz MJHQVDUIAVCTIA-IAGOWNOFSA-N 1 3 303.450 2.153 50 0 DEAAHO Cc1cccc(=O)n1CCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484335 402094363 /nfs/dbraw/zinc/09/43/63/402094363.db2.gz MJHQVDUIAVCTIA-IAGOWNOFSA-N 1 3 303.450 2.153 50 0 DEAAHO Cc1cccc(=O)n1CCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000096484335 402094366 /nfs/dbraw/zinc/09/43/66/402094366.db2.gz MJHQVDUIAVCTIA-IAGOWNOFSA-N 1 3 303.450 2.153 50 0 DEAAHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC000408519000 529042316 /nfs/dbraw/zinc/04/23/16/529042316.db2.gz QXLVQECSQCOTLA-IBGZPJMESA-N 1 3 316.493 2.287 50 0 DEAAHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC000408519000 529042320 /nfs/dbraw/zinc/04/23/20/529042320.db2.gz QXLVQECSQCOTLA-IBGZPJMESA-N 1 3 316.493 2.287 50 0 DEAAHO CC1CCN(CC[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000079094835 185157612 /nfs/dbraw/zinc/15/76/12/185157612.db2.gz PHCVKXQNFPRCOR-OTWHNJEPSA-N 1 3 323.525 2.292 50 0 DEAAHO CC1CCN(CC[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000079094835 185157613 /nfs/dbraw/zinc/15/76/13/185157613.db2.gz PHCVKXQNFPRCOR-OTWHNJEPSA-N 1 3 323.525 2.292 50 0 DEAAHO CC[N@H+](CCOc1ccc(Cl)cc1)C[C@]1(O)CCCNC1 ZINC000072422772 191158184 /nfs/dbraw/zinc/15/81/84/191158184.db2.gz UWWYMYJMAYLYOJ-INIZCTEOSA-N 1 3 312.841 2.155 50 0 DEAAHO CC[N@@H+](CCOc1ccc(Cl)cc1)C[C@]1(O)CCCNC1 ZINC000072422772 191158186 /nfs/dbraw/zinc/15/81/86/191158186.db2.gz UWWYMYJMAYLYOJ-INIZCTEOSA-N 1 3 312.841 2.155 50 0 DEAAHO COC[C@@H]1CN(Cc2ccc(F)c(F)c2)CC12CC[NH2+]CC2 ZINC000169789793 355984156 /nfs/dbraw/zinc/98/41/56/355984156.db2.gz XPEMOCLABUHVBZ-AWEZNQCLSA-N 1 3 310.388 2.413 50 0 DEAAHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(N)CC2)C1 ZINC000237671272 202325966 /nfs/dbraw/zinc/32/59/66/202325966.db2.gz BVEFNGWNAWGPIT-AWEZNQCLSA-N 1 3 301.434 2.026 50 0 DEAAHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(N)CC2)C1 ZINC000237671272 202325969 /nfs/dbraw/zinc/32/59/69/202325969.db2.gz BVEFNGWNAWGPIT-AWEZNQCLSA-N 1 3 301.434 2.026 50 0 DEAAHO [NH3+]CCNCCCOc1ccc(Br)cc1Cl ZINC000020117842 182188368 /nfs/dbraw/zinc/18/83/68/182188368.db2.gz HTKLHQNAHBENDX-UHFFFAOYSA-N 1 3 307.619 2.420 50 0 DEAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCCC[C@@H]2C)C[C@@H]1C ZINC000072305960 401708675 /nfs/dbraw/zinc/70/86/75/401708675.db2.gz HNCSSJKAPOIAQS-ULQDDVLXSA-N 1 3 324.513 2.375 50 0 DEAAHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCCC[C@@H]2C)C[C@@H]1C ZINC000072305960 401708677 /nfs/dbraw/zinc/70/86/77/401708677.db2.gz HNCSSJKAPOIAQS-ULQDDVLXSA-N 1 3 324.513 2.375 50 0 DEAAHO C[C@H](C1CCN(Cc2ccc(O)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077389198 401813600 /nfs/dbraw/zinc/81/36/00/401813600.db2.gz IITNBXFHWVNBPU-MRXNPFEDSA-N 1 3 317.477 2.240 50 0 DEAAHO C[C@@H](CCCC(C)(C)O)CC[NH2+]CCC1(O)CCN(C)CC1 ZINC000032541381 401879742 /nfs/dbraw/zinc/87/97/42/401879742.db2.gz YZMNQSUPHADCMM-INIZCTEOSA-N 1 3 314.514 2.390 50 0 DEAAHO C[NH+]1CCC(NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000037887397 401918489 /nfs/dbraw/zinc/91/84/89/401918489.db2.gz LOROGLPMPYDXKR-CQSZACIVSA-N 1 3 302.340 2.423 50 0 DEAAHO Cc1n[nH]c(C)c1CCN1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000426549144 405368250 /nfs/dbraw/zinc/36/82/50/405368250.db2.gz KLMIDZDXCWJWEP-UHFFFAOYSA-N 1 3 313.449 2.485 50 0 DEAAHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000299739547 563497136 /nfs/dbraw/zinc/49/71/36/563497136.db2.gz PXDYQABZFYKPJG-BZUAXINKSA-N 1 3 309.498 2.473 50 0 DEAAHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000299739547 563497138 /nfs/dbraw/zinc/49/71/38/563497138.db2.gz PXDYQABZFYKPJG-BZUAXINKSA-N 1 3 309.498 2.473 50 0 DEAAHO CC(C)(CN1CCOCC1)C[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000952861080 792782832 /nfs/dbraw/zinc/78/28/32/792782832.db2.gz CHLWIEOYYWLEAK-UHFFFAOYSA-N 1 3 323.525 2.295 50 0 DEAAHO CC(C)(CN1CCOCC1)C[N@H+]1CCCN(C2CCCC2)CC1 ZINC000952861080 792782840 /nfs/dbraw/zinc/78/28/40/792782840.db2.gz CHLWIEOYYWLEAK-UHFFFAOYSA-N 1 3 323.525 2.295 50 0 DEAAHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000095422348 185360998 /nfs/dbraw/zinc/36/09/98/185360998.db2.gz QGYZQWRAOUWWKR-GDBMZVCRSA-N 1 3 309.498 2.091 50 0 DEAAHO OC[C@@H]1C[NH2+]C[C@H]1C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000169788988 355983309 /nfs/dbraw/zinc/98/33/09/355983309.db2.gz ZQFZRKXORNHDPE-RDJZCZTQSA-N 1 3 308.853 2.380 50 0 DEAAHO Cc1cc(NCC2(N3CCN(C)CC3)CCCC2)cc(C)[nH+]1 ZINC000584890319 357326729 /nfs/dbraw/zinc/32/67/29/357326729.db2.gz CLIDWWZQDFFUKL-UHFFFAOYSA-N 1 3 302.466 2.092 50 0 DEAAHO COc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCO)C2)c(C)c1 ZINC000670459524 540937110 /nfs/dbraw/zinc/93/71/10/540937110.db2.gz QVMYKJAWWKQWGY-INIZCTEOSA-N 1 3 306.450 2.140 50 0 DEAAHO COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](CCO)C2)c(C)c1 ZINC000670459524 540937111 /nfs/dbraw/zinc/93/71/11/540937111.db2.gz QVMYKJAWWKQWGY-INIZCTEOSA-N 1 3 306.450 2.140 50 0 DEAAHO CCc1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000020192286 182196340 /nfs/dbraw/zinc/19/63/40/182196340.db2.gz DGQOMPMNCSYRNS-UHFFFAOYSA-N 1 3 301.478 2.461 50 0 DEAAHO C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC000058365080 184109396 /nfs/dbraw/zinc/10/93/96/184109396.db2.gz LVHCEUJXVSPXEZ-GDBMZVCRSA-N 1 3 321.440 2.104 50 0 DEAAHO CN(CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000065451867 184346811 /nfs/dbraw/zinc/34/68/11/184346811.db2.gz QSVWXMROJBMAEP-UHFFFAOYSA-N 1 3 315.461 2.109 50 0 DEAAHO Cc1cccc(CN2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000077376538 401813052 /nfs/dbraw/zinc/81/30/52/401813052.db2.gz OIVQXYABIFFZIQ-KRWDZBQOSA-N 1 3 316.493 2.238 50 0 DEAAHO Cc1ccc(SCCN(C)C(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC000055060651 402074839 /nfs/dbraw/zinc/07/48/39/402074839.db2.gz SQOQBPXMCONYLE-HNNXBMFYSA-N 1 3 309.479 2.002 50 0 DEAAHO C([C@@H]1CCCO1)N1CCN(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067690899 402167896 /nfs/dbraw/zinc/16/78/96/402167896.db2.gz IFESXRSJPUCESQ-SFHVURJKSA-N 1 3 321.509 2.095 50 0 DEAAHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000069508331 402227443 /nfs/dbraw/zinc/22/74/43/402227443.db2.gz JTZHWVMENWCQJE-JZXOWHBKSA-N 1 3 310.482 2.377 50 0 DEAAHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000069737331 402240970 /nfs/dbraw/zinc/24/09/70/402240970.db2.gz AVQFQHOLHCJTTO-UHFFFAOYSA-N 1 3 312.845 2.297 50 0 DEAAHO Cc1cc(NCC[C@H](C)N2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000534642948 334305831 /nfs/dbraw/zinc/30/58/31/334305831.db2.gz BLHCTTIQUWGIEK-INIZCTEOSA-N 1 3 312.461 2.403 50 0 DEAAHO CC(C)(C)OC(=O)N1CC[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079073569 185153924 /nfs/dbraw/zinc/15/39/24/185153924.db2.gz LZBROWLQSVWJMG-UONOGXRCSA-N 1 3 309.454 2.070 50 0 DEAAHO CC(C)(C)OC(=O)N1CC[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079073569 185153926 /nfs/dbraw/zinc/15/39/26/185153926.db2.gz LZBROWLQSVWJMG-UONOGXRCSA-N 1 3 309.454 2.070 50 0 DEAAHO C[NH+](C)C[C@]1(O)CCCN(CCCOc2ccc(F)cc2)CC1 ZINC000072160885 191062428 /nfs/dbraw/zinc/06/24/28/191062428.db2.gz QHERYOBQVCEHDI-SFHVURJKSA-N 1 3 324.440 2.373 50 0 DEAAHO Cc1cc(C)nc(NC(=N)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000004702298 181139714 /nfs/dbraw/zinc/13/97/14/181139714.db2.gz HQCUDGKPMWMESJ-UHFFFAOYSA-N 1 3 304.442 2.339 50 0 DEAAHO C[C@H](O)C[NH+]1CCC(CNCc2nc3ccccc3s2)CC1 ZINC000071870958 401689829 /nfs/dbraw/zinc/68/98/29/401689829.db2.gz KCQQHFIIGASNMP-ZDUSSCGKSA-N 1 3 319.474 2.479 50 0 DEAAHO CC1CCN(CC[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000079094832 401870127 /nfs/dbraw/zinc/87/01/27/401870127.db2.gz PHCVKXQNFPRCOR-CEXWTWQISA-N 1 3 323.525 2.292 50 0 DEAAHO CC1CCN(CC[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000079094832 401870129 /nfs/dbraw/zinc/87/01/29/401870129.db2.gz PHCVKXQNFPRCOR-CEXWTWQISA-N 1 3 323.525 2.292 50 0 DEAAHO Cc1cc(N2CCN(Cc3ccccc3)C[C@H](O)C2)cc(C)[nH+]1 ZINC000095500864 402034151 /nfs/dbraw/zinc/03/41/51/402034151.db2.gz DERJUQWTAARMRI-IBGZPJMESA-N 1 3 311.429 2.382 50 0 DEAAHO c1ccc2cc(N3CCN(C[C@H]4[C@@H]5C[NH2+]C[C@H]45)CC3)ccc2c1 ZINC000102760052 402171597 /nfs/dbraw/zinc/17/15/97/402171597.db2.gz GYHVSNCKHZPDHE-PMOLBWCYSA-N 1 3 307.441 2.427 50 0 DEAAHO CC[N@@H+]1CC[C@@]2(CCN(Cc3ccc4c(c3)CNCCO4)C2)C1 ZINC000299786291 403574456 /nfs/dbraw/zinc/57/44/56/403574456.db2.gz SHQOFDCTHVMWON-LJQANCHMSA-N 1 3 315.461 2.086 50 0 DEAAHO CC[N@H+]1CC[C@@]2(CCN(Cc3ccc4c(c3)CNCCO4)C2)C1 ZINC000299786291 403574457 /nfs/dbraw/zinc/57/44/57/403574457.db2.gz SHQOFDCTHVMWON-LJQANCHMSA-N 1 3 315.461 2.086 50 0 DEAAHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000237516213 290390119 /nfs/dbraw/zinc/39/01/19/290390119.db2.gz PXDYQABZFYKPJG-HRCADAONSA-N 1 3 309.498 2.473 50 0 DEAAHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000237516213 290390121 /nfs/dbraw/zinc/39/01/21/290390121.db2.gz PXDYQABZFYKPJG-HRCADAONSA-N 1 3 309.498 2.473 50 0 DEAAHO CNC(=O)c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000170082859 197768535 /nfs/dbraw/zinc/76/85/35/197768535.db2.gz VTXGUGHHAZKOCA-KRWDZBQOSA-N 1 3 301.434 2.010 50 0 DEAAHO C[C@@H]1C[C@H](N(C)C(=O)CNC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237585221 202293186 /nfs/dbraw/zinc/29/31/86/202293186.db2.gz RYTMEIJXRIKBHL-CRAIPNDOSA-N 1 3 315.461 2.250 50 0 DEAAHO C[C@@H]1C[C@H](N(C)C(=O)CNC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000237585221 202293190 /nfs/dbraw/zinc/29/31/90/202293190.db2.gz RYTMEIJXRIKBHL-CRAIPNDOSA-N 1 3 315.461 2.250 50 0 DEAAHO Cc1nc(C2CC[NH2+]CC2)cc(N2CCN(C)C[C@@H]2C(C)C)n1 ZINC000067714258 402169986 /nfs/dbraw/zinc/16/99/86/402169986.db2.gz GIBCSPVPPWVMLB-QGZVFWFLSA-N 1 3 317.481 2.028 50 0 DEAAHO C[NH2+]C[C@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000179001049 402563400 /nfs/dbraw/zinc/56/34/00/402563400.db2.gz GVMFEIZNAYDULO-CYBMUJFWSA-N 1 3 315.417 2.176 50 0 DEAAHO c1cn(CCCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000280225589 402977323 /nfs/dbraw/zinc/97/73/23/402977323.db2.gz ATSIHYCEIILLHM-KDURUIRLSA-N 1 3 310.445 2.337 50 0 DEAAHO c1cn(CCCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000280225589 402977326 /nfs/dbraw/zinc/97/73/26/402977326.db2.gz ATSIHYCEIILLHM-KDURUIRLSA-N 1 3 310.445 2.337 50 0 DEAAHO C[NH+]1CCC2(CCN([C@@H]3CCCN(CC(C)(C)C)C3=O)C2)CC1 ZINC000585115982 405870889 /nfs/dbraw/zinc/87/08/89/405870889.db2.gz CJTUMLFFBDKNFA-MRXNPFEDSA-N 1 3 321.509 2.441 50 0 DEAAHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N(C)C1CC1)CC2 ZINC000252476887 529112229 /nfs/dbraw/zinc/11/22/29/529112229.db2.gz DGBGFZJDXACSCU-OIISXLGYSA-N 1 3 322.497 2.126 50 0 DEAAHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N(C)C1CC1)CC2 ZINC000252476887 529112234 /nfs/dbraw/zinc/11/22/34/529112234.db2.gz DGBGFZJDXACSCU-OIISXLGYSA-N 1 3 322.497 2.126 50 0 DEAAHO [NH3+]C1CC(c2cc(NCCN3CCCC3)nc(C3CC3)n2)C1 ZINC000219330395 201554724 /nfs/dbraw/zinc/55/47/24/201554724.db2.gz JAEOSPYECPKOFS-UHFFFAOYSA-N 1 3 301.438 2.066 50 0 DEAAHO Cc1ccc(CN2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)o1 ZINC000077356758 401811862 /nfs/dbraw/zinc/81/18/62/401811862.db2.gz DHKQOXYOIIUFOQ-INIZCTEOSA-N 1 3 305.466 2.436 50 0 DEAAHO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000012443678 401786507 /nfs/dbraw/zinc/78/65/07/401786507.db2.gz NKSGUBNSCXUYEB-OAHLLOKOSA-N 1 3 319.493 2.384 50 0 DEAAHO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000012443678 401786510 /nfs/dbraw/zinc/78/65/10/401786510.db2.gz NKSGUBNSCXUYEB-OAHLLOKOSA-N 1 3 319.493 2.384 50 0 DEAAHO Cc1ccccc1[C@H](CNC(=O)CC1CC[NH2+]CC1)N(C)C ZINC000216373106 402288627 /nfs/dbraw/zinc/28/86/27/402288627.db2.gz ZVGITSDNPKONIS-KRWDZBQOSA-N 1 3 303.450 2.104 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168510546 402496679 /nfs/dbraw/zinc/49/66/79/402496679.db2.gz QRRWXWAACIJVDL-PVAVHDDUSA-N 1 3 303.450 2.235 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168510546 402496680 /nfs/dbraw/zinc/49/66/80/402496680.db2.gz QRRWXWAACIJVDL-PVAVHDDUSA-N 1 3 303.450 2.235 50 0 DEAAHO CC(=O)NC(C)(C)C[C@@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000820574057 1090553712 /nfs/dbraw/zinc/55/37/12/1090553712.db2.gz XARANKPHKZLFAO-OAHLLOKOSA-N 1 3 318.465 2.205 50 0 DEAAHO C[C@H]1C[C@H](N(C)C(=O)CCC[NH3+])CCN1Cc1ccccc1 ZINC000237582971 202291654 /nfs/dbraw/zinc/29/16/54/202291654.db2.gz UEDMXQBUJRLGCJ-DOTOQJQBSA-N 1 3 303.450 2.237 50 0 DEAAHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237728166 202340770 /nfs/dbraw/zinc/34/07/70/202340770.db2.gz YCTUKHVQUHMCIV-MSOLQXFVSA-N 1 3 315.461 2.203 50 0 DEAAHO N[C@H]1C[N@H+](CCC(=O)N2CCCc3ccccc32)C[C@@H]1C1CC1 ZINC000091486425 193062225 /nfs/dbraw/zinc/06/22/25/193062225.db2.gz YLLAIJGWZXPRSF-SJORKVTESA-N 1 3 313.445 2.025 50 0 DEAAHO N[C@H]1C[N@@H+](CCC(=O)N2CCCc3ccccc32)C[C@@H]1C1CC1 ZINC000091486425 193062227 /nfs/dbraw/zinc/06/22/27/193062227.db2.gz YLLAIJGWZXPRSF-SJORKVTESA-N 1 3 313.445 2.025 50 0 DEAAHO Fc1c(CSC2=NCCN2)cccc1CSC1=[NH+]CCN1 ZINC000000140849 401688464 /nfs/dbraw/zinc/68/84/64/401688464.db2.gz CXLOKACRUBUWPT-UHFFFAOYSA-N 1 3 324.450 2.211 50 0 DEAAHO COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc2c1OCCO2 ZINC000030907052 401866993 /nfs/dbraw/zinc/86/69/93/401866993.db2.gz AFELRFHTYSWBKN-ZDUSSCGKSA-N 1 3 318.417 2.040 50 0 DEAAHO C[C@H]1CN(CCC2CC[NH+](CCn3ccnc3)CC2)C[C@H](C)O1 ZINC000131636692 196185835 /nfs/dbraw/zinc/18/58/35/196185835.db2.gz QVMVDEPCYPZFMD-IRXDYDNUSA-N 1 3 320.481 2.094 50 0 DEAAHO CCc1noc(CCNC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000670472339 540938667 /nfs/dbraw/zinc/93/86/67/540938667.db2.gz VZYBTNPPIHVICR-UHFFFAOYSA-N 1 3 314.433 2.429 50 0 DEAAHO CC[NH+]1CCC(CNc2nc(C)nc(C)c2C)(N(C)C)CC1 ZINC000092019945 193143382 /nfs/dbraw/zinc/14/33/82/193143382.db2.gz IZNGFEBVVUFPGB-UHFFFAOYSA-N 1 3 305.470 2.230 50 0 DEAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NC3CCC3)C2)CC1 ZINC000012752157 401791151 /nfs/dbraw/zinc/79/11/51/401791151.db2.gz QAKICANVQFAODI-OAHLLOKOSA-N 1 3 307.482 2.240 50 0 DEAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCCC[C@H]2C)C[C@H]1C ZINC000240668508 402442313 /nfs/dbraw/zinc/44/23/13/402442313.db2.gz HNCSSJKAPOIAQS-ZACQAIPSSA-N 1 3 324.513 2.375 50 0 DEAAHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCCC[C@H]2C)C[C@H]1C ZINC000240668508 402442316 /nfs/dbraw/zinc/44/23/16/402442316.db2.gz HNCSSJKAPOIAQS-ZACQAIPSSA-N 1 3 324.513 2.375 50 0 DEAAHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000253426925 402665861 /nfs/dbraw/zinc/66/58/61/402665861.db2.gz BYBAUSKAUWDQAY-RDJZCZTQSA-N 1 3 321.440 2.233 50 0 DEAAHO CC[NH2+]CC[C@@H]1CCC(=O)N1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000299785940 403574488 /nfs/dbraw/zinc/57/44/88/403574488.db2.gz PBCAZEOOJYOSSJ-ZWKOTPCHSA-N 1 3 315.461 2.252 50 0 DEAAHO CC(C)N1CCN(CCC[N@@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000408519457 403824650 /nfs/dbraw/zinc/82/46/50/403824650.db2.gz OTUKEWUNTSGFME-QGZVFWFLSA-N 1 3 311.539 2.230 50 0 DEAAHO CC(C)N1CCN(CCC[N@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000408519457 403824654 /nfs/dbraw/zinc/82/46/54/403824654.db2.gz OTUKEWUNTSGFME-QGZVFWFLSA-N 1 3 311.539 2.230 50 0 DEAAHO C[C@@H](Cc1ccc2c(c1)OCO2)CN1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426361352 405354087 /nfs/dbraw/zinc/35/40/87/405354087.db2.gz RGGXYZDAQSZHTD-BTYMGIQYSA-N 1 3 314.429 2.276 50 0 DEAAHO C[C@H](CCCC(C)(C)O)CCN1CCC([N@H+](C)CCO)CC1 ZINC000032590217 683878413 /nfs/dbraw/zinc/87/84/13/683878413.db2.gz SZTCTUALRPLRQM-MRXNPFEDSA-N 1 3 314.514 2.342 50 0 DEAAHO C[C@H](CCCC(C)(C)O)CCN1CCC([N@@H+](C)CCO)CC1 ZINC000032590217 683878419 /nfs/dbraw/zinc/87/84/19/683878419.db2.gz SZTCTUALRPLRQM-MRXNPFEDSA-N 1 3 314.514 2.342 50 0 DEAAHO CC[N@H+](C)C[C@@H](C)NCCc1nc(C)cc(C(F)(F)F)n1 ZINC001506420692 1061962255 /nfs/dbraw/zinc/96/22/55/1061962255.db2.gz AKTFZLQSLWONPC-LLVKDONJSA-N 1 3 304.360 2.276 50 0 DEAAHO CC[N@@H+](C)C[C@@H](C)NCCc1nc(C)cc(C(F)(F)F)n1 ZINC001506420692 1061962277 /nfs/dbraw/zinc/96/22/77/1061962277.db2.gz AKTFZLQSLWONPC-LLVKDONJSA-N 1 3 304.360 2.276 50 0 DEAAHO COc1cccc(CN2CCC3(CC2)C[N@H+](C)CCCN3C)c1 ZINC000215381903 402283071 /nfs/dbraw/zinc/28/30/71/402283071.db2.gz UBFRMNGQMLQTSY-UHFFFAOYSA-N 1 3 317.477 2.297 50 0 DEAAHO COc1cccc(CN2CCC3(CC2)C[N@@H+](C)CCCN3C)c1 ZINC000215381903 402283074 /nfs/dbraw/zinc/28/30/74/402283074.db2.gz UBFRMNGQMLQTSY-UHFFFAOYSA-N 1 3 317.477 2.297 50 0 DEAAHO CCN(CCC[NH+]1CCCC1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000252498787 402656509 /nfs/dbraw/zinc/65/65/09/402656509.db2.gz RLBIGAHYYACBKI-KRWDZBQOSA-N 1 3 324.513 2.236 50 0 DEAAHO Cc1[nH]c2ccccc2c(=O)c1CC[C@H](C)[NH2+]C1CCNCC1 ZINC000426370949 405355308 /nfs/dbraw/zinc/35/53/08/405355308.db2.gz KHLYDVIPEIDFFT-ZDUSSCGKSA-N 1 3 313.445 2.499 50 0 DEAAHO Cc1[nH]c2ccccc2c(=O)c1CC[C@H](C)NC1CC[NH2+]CC1 ZINC000426370949 405355311 /nfs/dbraw/zinc/35/53/11/405355311.db2.gz KHLYDVIPEIDFFT-ZDUSSCGKSA-N 1 3 313.445 2.499 50 0 DEAAHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000237682394 287272106 /nfs/dbraw/zinc/27/21/06/287272106.db2.gz PXDYQABZFYKPJG-OWCLPIDISA-N 1 3 309.498 2.473 50 0 DEAAHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000237682394 287272107 /nfs/dbraw/zinc/27/21/07/287272107.db2.gz PXDYQABZFYKPJG-OWCLPIDISA-N 1 3 309.498 2.473 50 0 DEAAHO FC(F)(F)c1ccc(CN2CCC3(CC2)C[NH2+]CCO3)cn1 ZINC000534670047 334319986 /nfs/dbraw/zinc/31/99/86/334319986.db2.gz FPQOXKFLZIRFAZ-UHFFFAOYSA-N 1 3 315.339 2.055 50 0 DEAAHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC000408519001 529042058 /nfs/dbraw/zinc/04/20/58/529042058.db2.gz QXLVQECSQCOTLA-LJQANCHMSA-N 1 3 316.493 2.287 50 0 DEAAHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC000408519001 529042063 /nfs/dbraw/zinc/04/20/63/529042063.db2.gz QXLVQECSQCOTLA-LJQANCHMSA-N 1 3 316.493 2.287 50 0 DEAAHO COc1ccc(/C=C/CN2CCC[C@@](O)(C[NH+](C)C)CC2)cc1 ZINC000072172616 683928430 /nfs/dbraw/zinc/92/84/30/683928430.db2.gz LDXUAQUDDXKUMB-OQBYNLHGSA-N 1 3 318.461 2.487 50 0 DEAAHO CN1CCC(O)(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000095440120 185366034 /nfs/dbraw/zinc/36/60/34/185366034.db2.gz ZYSRDEFQIDRCQA-UHFFFAOYSA-N 1 3 320.330 2.391 50 0 DEAAHO Cc1cc(NC(=O)[C@H]2CCC[NH2+]2)ccc1OCCN1CCCC1 ZINC000237723199 202340451 /nfs/dbraw/zinc/34/04/51/202340451.db2.gz QGHFUHLUFYEXLD-MRXNPFEDSA-N 1 3 317.433 2.160 50 0 DEAAHO COc1ccc([C@H]2NC(=N)NC(=[NH2+])N2c2ccc(C)cc2)cc1 ZINC000000146418 401688459 /nfs/dbraw/zinc/68/84/59/401688459.db2.gz VZSYIRKPZUZAOC-HNNXBMFYSA-N 1 3 309.373 2.152 50 0 DEAAHO C[C@@H](O)C[NH+]1CCC(CNCc2nc3ccccc3s2)CC1 ZINC000071870959 401689560 /nfs/dbraw/zinc/68/95/60/401689560.db2.gz KCQQHFIIGASNMP-CYBMUJFWSA-N 1 3 319.474 2.479 50 0 DEAAHO COc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013381828 401799573 /nfs/dbraw/zinc/79/95/73/401799573.db2.gz YPTJQGIRFIIISJ-DAYGRLMNSA-N 1 3 306.450 2.266 50 0 DEAAHO COc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013381828 401799574 /nfs/dbraw/zinc/79/95/74/401799574.db2.gz YPTJQGIRFIIISJ-DAYGRLMNSA-N 1 3 306.450 2.266 50 0 DEAAHO CC(C)(C)C[NH+]1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011817603 401776720 /nfs/dbraw/zinc/77/67/20/401776720.db2.gz FLTYMHSTEWGZBY-HNNXBMFYSA-N 1 3 321.509 2.488 50 0 DEAAHO C[NH+]1CCC(NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000037887396 401918364 /nfs/dbraw/zinc/91/83/64/401918364.db2.gz LOROGLPMPYDXKR-AWEZNQCLSA-N 1 3 302.340 2.423 50 0 DEAAHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000253426924 402665999 /nfs/dbraw/zinc/66/59/99/402665999.db2.gz BYBAUSKAUWDQAY-NVXWUHKLSA-N 1 3 321.440 2.233 50 0 DEAAHO C[C@H](Cc1ccc2c(c1)OCO2)CN1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426361354 405354096 /nfs/dbraw/zinc/35/40/96/405354096.db2.gz RGGXYZDAQSZHTD-CMZRPVNOSA-N 1 3 314.429 2.276 50 0 DEAAHO C[NH+](C)C1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000225474213 282050190 /nfs/dbraw/zinc/05/01/90/282050190.db2.gz YKFWVNMJUQHJEM-QGZVFWFLSA-N 1 3 307.482 2.336 50 0 DEAAHO CCCCOc1ccc([C@H]2N[C@@](C)(CO)[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000065408979 184339093 /nfs/dbraw/zinc/33/90/93/184339093.db2.gz NHSRHWSPDUEEBL-HCXYKTFWSA-N 1 3 318.461 2.439 50 0 DEAAHO CCCCOc1ccc([C@H]2N[C@@](C)(CO)[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000065408979 184339095 /nfs/dbraw/zinc/33/90/95/184339095.db2.gz NHSRHWSPDUEEBL-HCXYKTFWSA-N 1 3 318.461 2.439 50 0 DEAAHO [NH3+]C1(C(=O)NC[C@@H]2CCN(Cc3ccccc3F)C2)CCCC1 ZINC000067473189 402160532 /nfs/dbraw/zinc/16/05/32/402160532.db2.gz FNZHDMAQKWNUKL-AWEZNQCLSA-N 1 3 319.424 2.035 50 0 DEAAHO [NH3+]C1(C(=O)NC[C@H]2CCN(Cc3ccccc3F)C2)CCCC1 ZINC000067473188 402160808 /nfs/dbraw/zinc/16/08/08/402160808.db2.gz FNZHDMAQKWNUKL-CQSZACIVSA-N 1 3 319.424 2.035 50 0 DEAAHO CCN1CCC[C@@H]1CNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067674265 402167345 /nfs/dbraw/zinc/16/73/45/402167345.db2.gz UUCAQIYSGDHTEV-OAHLLOKOSA-N 1 3 303.454 2.148 50 0 DEAAHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(N)CC2)C1 ZINC000237471709 287355795 /nfs/dbraw/zinc/35/57/95/287355795.db2.gz BVEFNGWNAWGPIT-CQSZACIVSA-N 1 3 301.434 2.026 50 0 DEAAHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(N)CC2)C1 ZINC000237471709 287355797 /nfs/dbraw/zinc/35/57/97/287355797.db2.gz BVEFNGWNAWGPIT-CQSZACIVSA-N 1 3 301.434 2.026 50 0 DEAAHO CN(CC[N@H+](C)C1CCCC1)C(=O)C[C@@H](N)c1ccccc1 ZINC000952985202 792865658 /nfs/dbraw/zinc/86/56/58/792865658.db2.gz UERZOUSYMNAUKD-QGZVFWFLSA-N 1 3 303.450 2.409 50 0 DEAAHO CN(CC[N@@H+](C)C1CCCC1)C(=O)C[C@@H](N)c1ccccc1 ZINC000952985202 792865669 /nfs/dbraw/zinc/86/56/69/792865669.db2.gz UERZOUSYMNAUKD-QGZVFWFLSA-N 1 3 303.450 2.409 50 0 DEAAHO CN1CCC(Oc2ccc(NC3CC[NH+](C)CC3)cn2)CC1 ZINC000097038861 185401557 /nfs/dbraw/zinc/40/15/57/185401557.db2.gz LETNINGDEGXCPD-UHFFFAOYSA-N 1 3 304.438 2.061 50 0 DEAAHO C[NH+]1CCC(NC[C@H](O)c2cccc(OC(F)F)c2)CC1 ZINC000090910740 539418746 /nfs/dbraw/zinc/41/87/46/539418746.db2.gz DWZSFDWDLLTGLA-AWEZNQCLSA-N 1 3 300.349 2.005 50 0 DEAAHO C[NH2+]C1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000237161101 202171399 /nfs/dbraw/zinc/17/13/99/202171399.db2.gz XYWOZPRLIIFVHU-UHFFFAOYSA-N 1 3 315.417 2.318 50 0 DEAAHO Cc1cccc(CN2CCC(C(=O)NCCC[NH+](C)C)CC2)c1 ZINC000020100418 182187109 /nfs/dbraw/zinc/18/71/09/182187109.db2.gz MTFJRXDTNLXLHZ-UHFFFAOYSA-N 1 3 317.477 2.275 50 0 DEAAHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC000058365086 184109585 /nfs/dbraw/zinc/10/95/85/184109585.db2.gz LVHCEUJXVSPXEZ-ZBFHGGJFSA-N 1 3 321.440 2.104 50 0 DEAAHO COc1ccc([C@@H]2NC(=N)NC(=[NH2+])N2c2ccc(C)cc2)cc1 ZINC000000146420 401688563 /nfs/dbraw/zinc/68/85/63/401688563.db2.gz VZSYIRKPZUZAOC-OAHLLOKOSA-N 1 3 309.373 2.152 50 0 DEAAHO Cc1cc(C[N@@H+]2CCC[C@H](CCNC(=O)C3(N)CC3)C2)oc1C ZINC000071278993 402271890 /nfs/dbraw/zinc/27/18/90/402271890.db2.gz YXPDNFZMBNPDBD-OAHLLOKOSA-N 1 3 319.449 2.106 50 0 DEAAHO Cc1cc(C[N@H+]2CCC[C@H](CCNC(=O)C3(N)CC3)C2)oc1C ZINC000071278993 402271892 /nfs/dbraw/zinc/27/18/92/402271892.db2.gz YXPDNFZMBNPDBD-OAHLLOKOSA-N 1 3 319.449 2.106 50 0 DEAAHO C[C@@H](CC(=O)N(C)C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000095421275 274205875 /nfs/dbraw/zinc/20/58/75/274205875.db2.gz XMOXKASGYBHGNL-HNNXBMFYSA-N 1 3 309.498 2.488 50 0 DEAAHO C[C@@H](CC(=O)N(C)C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000095421275 274205877 /nfs/dbraw/zinc/20/58/77/274205877.db2.gz XMOXKASGYBHGNL-HNNXBMFYSA-N 1 3 309.498 2.488 50 0 DEAAHO Cc1cc(N2CCC(C[NH+]3CCCCCC3)CC2)nc(N)n1 ZINC000052074447 280543248 /nfs/dbraw/zinc/54/32/48/280543248.db2.gz ASKBYHIEHCYWSR-UHFFFAOYSA-N 1 3 303.454 2.460 50 0 DEAAHO CCc1nccn1C[C@H](C)[NH2+]C1CCN(C2CCOCC2)CC1 ZINC000823557087 1090688859 /nfs/dbraw/zinc/68/88/59/1090688859.db2.gz AXRGPOCYWUOXSH-HNNXBMFYSA-N 1 3 320.481 2.067 50 0 DEAAHO C[C@H](C[NH+]1CCCCCC1)NC[C@H](CO)Cc1ccccn1 ZINC000170606838 355988849 /nfs/dbraw/zinc/98/88/49/355988849.db2.gz ZFNCRHZJRVERTF-IAGOWNOFSA-N 1 3 305.466 2.087 50 0 DEAAHO C[C@@H]1CN(CCC2CC[NH+](CCn3ccnc3)CC2)C[C@@H](C)O1 ZINC000131636930 196185801 /nfs/dbraw/zinc/18/58/01/196185801.db2.gz QVMVDEPCYPZFMD-IAGOWNOFSA-N 1 3 320.481 2.094 50 0 DEAAHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@](C)(N)C2CC2)C1 ZINC000408519121 534161231 /nfs/dbraw/zinc/16/12/31/534161231.db2.gz WCHAOGAUGXNGNM-RVKKMQEKSA-N 1 3 307.482 2.227 50 0 DEAAHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@](C)(N)C2CC2)C1 ZINC000408519121 534161239 /nfs/dbraw/zinc/16/12/39/534161239.db2.gz WCHAOGAUGXNGNM-RVKKMQEKSA-N 1 3 307.482 2.227 50 0 DEAAHO CC(C)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000239351895 529132667 /nfs/dbraw/zinc/13/26/67/529132667.db2.gz AAJSQOYVEBBZJI-MNZLEMJZSA-N 1 3 317.477 2.257 50 0 DEAAHO CCNc1cc[nH+]c(CN2CCN(CCOC)[C@@H](CC)C2)c1 ZINC000089949228 185271236 /nfs/dbraw/zinc/27/12/36/185271236.db2.gz HKCBEWQVCNWUDM-KRWDZBQOSA-N 1 3 306.454 2.056 50 0 DEAAHO C[C@@H](C[NH+]1CCCCCC1)NC[C@@H](CO)Cc1ccccn1 ZINC000170606839 355988594 /nfs/dbraw/zinc/98/85/94/355988594.db2.gz ZFNCRHZJRVERTF-IRXDYDNUSA-N 1 3 305.466 2.087 50 0 DEAAHO CC(C)(C)OC(=O)N1CC[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079073574 401870077 /nfs/dbraw/zinc/87/00/77/401870077.db2.gz LZBROWLQSVWJMG-KGLIPLIRSA-N 1 3 309.454 2.070 50 0 DEAAHO CC(C)(C)OC(=O)N1CC[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079073574 401870081 /nfs/dbraw/zinc/87/00/81/401870081.db2.gz LZBROWLQSVWJMG-KGLIPLIRSA-N 1 3 309.454 2.070 50 0 DEAAHO c1c(CNC2CCC3(CC[NH2+]CC3)CC2)nc2n1CCS2 ZINC000067854930 402175580 /nfs/dbraw/zinc/17/55/80/402175580.db2.gz HRZRLTOVMJPOJW-UHFFFAOYSA-N 1 3 306.479 2.391 50 0 DEAAHO COc1cc(CN2CCC3(C2)CC[NH2+]CC3)cc(OC)c1OC ZINC000067895987 402178268 /nfs/dbraw/zinc/17/82/68/402178268.db2.gz CLAUYBLBNLPNFH-UHFFFAOYSA-N 1 3 320.433 2.288 50 0 DEAAHO CN(CCNC(=O)C[C@H]1CCCC[N@@H+]1C)CCc1ccccc1 ZINC000216292537 402287912 /nfs/dbraw/zinc/28/79/12/402287912.db2.gz BEWCODXOBDKLNH-GOSISDBHSA-N 1 3 317.477 2.152 50 0 DEAAHO CN(CCNC(=O)C[C@H]1CCCC[N@H+]1C)CCc1ccccc1 ZINC000216292537 402287913 /nfs/dbraw/zinc/28/79/13/402287913.db2.gz BEWCODXOBDKLNH-GOSISDBHSA-N 1 3 317.477 2.152 50 0 DEAAHO CC[C@H](N)C(=O)N(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000269250902 403125436 /nfs/dbraw/zinc/12/54/36/403125436.db2.gz HAMNLXZONDXTFR-ZOBUZTSGSA-N 1 3 317.477 2.339 50 0 DEAAHO [NH3+][C@H]1CCN(Cc2ccccc2OCCN2CCCCC2)C1 ZINC000215149018 201453647 /nfs/dbraw/zinc/45/36/47/201453647.db2.gz AVPQVESUZZFIFK-KRWDZBQOSA-N 1 3 303.450 2.084 50 0 DEAAHO Cc1ccc(CN2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)o1 ZINC000077356755 401812304 /nfs/dbraw/zinc/81/23/04/401812304.db2.gz DHKQOXYOIIUFOQ-MRXNPFEDSA-N 1 3 305.466 2.436 50 0 DEAAHO CC(C)(C)c1ncc(C[NH2+]CC2CCN(CCO)CC2)s1 ZINC000069415658 402222413 /nfs/dbraw/zinc/22/24/13/402222413.db2.gz YPNRWHRRXHITJY-UHFFFAOYSA-N 1 3 311.495 2.235 50 0 DEAAHO CC(C)(C)c1ncc(CNCC2CC[NH+](CCO)CC2)s1 ZINC000069415658 402222415 /nfs/dbraw/zinc/22/24/15/402222415.db2.gz YPNRWHRRXHITJY-UHFFFAOYSA-N 1 3 311.495 2.235 50 0 DEAAHO CC1CCN(CC[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000107154799 402226807 /nfs/dbraw/zinc/22/68/07/402226807.db2.gz PHCVKXQNFPRCOR-GUDVDZBRSA-N 1 3 323.525 2.292 50 0 DEAAHO CC1CCN(CC[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000107154799 402226808 /nfs/dbraw/zinc/22/68/08/402226808.db2.gz PHCVKXQNFPRCOR-GUDVDZBRSA-N 1 3 323.525 2.292 50 0 DEAAHO CC1(C)CC(N[C@@H]2CCOC[C@H]2OCC2CC2)CC(C)(C)[NH2+]1 ZINC000223035339 402309555 /nfs/dbraw/zinc/30/95/55/402309555.db2.gz XUGYXGRYZUQCHG-HZPDHXFCSA-N 1 3 310.482 2.469 50 0 DEAAHO CC1(C)CC([NH2+][C@@H]2CCOC[C@H]2OCC2CC2)CC(C)(C)N1 ZINC000223035339 402309557 /nfs/dbraw/zinc/30/95/57/402309557.db2.gz XUGYXGRYZUQCHG-HZPDHXFCSA-N 1 3 310.482 2.469 50 0 DEAAHO Cc1ccccc1[C@@H](CNC(=O)CC1CC[NH2+]CC1)N(C)C ZINC000216373061 302129331 /nfs/dbraw/zinc/12/93/31/302129331.db2.gz ZVGITSDNPKONIS-QGZVFWFLSA-N 1 3 303.450 2.104 50 0 DEAAHO CCC[NH+]1CCC2(CN(C)C[C@@H]2c2noc(C3CC3)n2)CC1 ZINC000097940989 635928432 /nfs/dbraw/zinc/92/84/32/635928432.db2.gz HNFIRGUOJNRPQM-CQSZACIVSA-N 1 3 304.438 2.468 50 0 DEAAHO C[C@H]([NH2+]CC1(C)OCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272832787 210232014 /nfs/dbraw/zinc/23/20/14/210232014.db2.gz QGAFZECMVJBOEF-RDJZCZTQSA-N 1 3 304.434 2.250 50 0 DEAAHO Cc1ccc(OCCC[N@@H+](C)C[C@@]2(O)CCCNC2)c(C)c1 ZINC000072432957 191163781 /nfs/dbraw/zinc/16/37/81/191163781.db2.gz TWBCTGQLZNJGKD-GOSISDBHSA-N 1 3 306.450 2.119 50 0 DEAAHO Cc1ccc(OCCC[N@H+](C)C[C@@]2(O)CCCNC2)c(C)c1 ZINC000072432957 191163784 /nfs/dbraw/zinc/16/37/84/191163784.db2.gz TWBCTGQLZNJGKD-GOSISDBHSA-N 1 3 306.450 2.119 50 0 DEAAHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@](C)(N)C2CC2)C1 ZINC000237683183 257238972 /nfs/dbraw/zinc/23/89/72/257238972.db2.gz WCHAOGAUGXNGNM-VKJFTORMSA-N 1 3 307.482 2.227 50 0 DEAAHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@](C)(N)C2CC2)C1 ZINC000237683183 257238974 /nfs/dbraw/zinc/23/89/74/257238974.db2.gz WCHAOGAUGXNGNM-VKJFTORMSA-N 1 3 307.482 2.227 50 0 DEAAHO [NH3+][C@@H]1CCCN(Cc2ccc(OCCn3ccnc3)cc2)CC1 ZINC000097743151 402131799 /nfs/dbraw/zinc/13/17/99/402131799.db2.gz CBRUTJOETTWURT-QGZVFWFLSA-N 1 3 314.433 2.275 50 0 DEAAHO CC(C)[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236715251 402377286 /nfs/dbraw/zinc/37/72/86/402377286.db2.gz IKMRZSRACLELKB-SZMVWBNQSA-N 1 3 317.477 2.481 50 0 DEAAHO CC(C)[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236715251 402377291 /nfs/dbraw/zinc/37/72/91/402377291.db2.gz IKMRZSRACLELKB-SZMVWBNQSA-N 1 3 317.477 2.481 50 0 DEAAHO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744065 402747342 /nfs/dbraw/zinc/74/73/42/402747342.db2.gz CHESMUBNGVMFBO-QZTJIDSGSA-N 1 3 311.514 2.028 50 0 DEAAHO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744065 402747345 /nfs/dbraw/zinc/74/73/45/402747345.db2.gz CHESMUBNGVMFBO-QZTJIDSGSA-N 1 3 311.514 2.028 50 0 DEAAHO Cc1nc(C(F)(F)F)ncc1CN1CCC[C@H](CC[NH3+])C1 ZINC000426503629 405365417 /nfs/dbraw/zinc/36/54/17/405365417.db2.gz WXQKTQMBTNDUGY-LLVKDONJSA-N 1 3 302.344 2.365 50 0 DEAAHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@@H]1CCCC[N@@H+]1C ZINC000215296084 289147407 /nfs/dbraw/zinc/14/74/07/289147407.db2.gz ULMNUYHRUSVAAH-SFHVURJKSA-N 1 3 317.477 2.451 50 0 DEAAHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@@H]1CCCC[N@H+]1C ZINC000215296084 289147408 /nfs/dbraw/zinc/14/74/08/289147408.db2.gz ULMNUYHRUSVAAH-SFHVURJKSA-N 1 3 317.477 2.451 50 0 DEAAHO CN1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)CC1 ZINC000022455783 354054293 /nfs/dbraw/zinc/05/42/93/354054293.db2.gz ZMCHFDPGPGXQDX-UHFFFAOYSA-N 1 3 301.478 2.331 50 0 DEAAHO CN1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)CC1 ZINC000022455783 354054294 /nfs/dbraw/zinc/05/42/94/354054294.db2.gz ZMCHFDPGPGXQDX-UHFFFAOYSA-N 1 3 301.478 2.331 50 0 DEAAHO C[C@H]1C[C@@H](N(C)C(=O)CCC[NH3+])CCN1Cc1ccccc1 ZINC000237638722 291059875 /nfs/dbraw/zinc/05/98/75/291059875.db2.gz UEDMXQBUJRLGCJ-RDJZCZTQSA-N 1 3 303.450 2.237 50 0 DEAAHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)C1(N2CCOCC2)CCCC1 ZINC000097101750 355702294 /nfs/dbraw/zinc/70/22/94/355702294.db2.gz KXKQVNNSHDEDTM-SJORKVTESA-N 1 3 309.498 2.094 50 0 DEAAHO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101750 355702296 /nfs/dbraw/zinc/70/22/96/355702296.db2.gz KXKQVNNSHDEDTM-SJORKVTESA-N 1 3 309.498 2.094 50 0 DEAAHO C[C@@H](NCC[C@@H]1CCC[N@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101750 355702297 /nfs/dbraw/zinc/70/22/97/355702297.db2.gz KXKQVNNSHDEDTM-SJORKVTESA-N 1 3 309.498 2.094 50 0 DEAAHO C[C@@H](C[NH+]1CCCCCC1)NC[C@H](CO)Cc1ccccn1 ZINC000170606837 355988625 /nfs/dbraw/zinc/98/86/25/355988625.db2.gz ZFNCRHZJRVERTF-DLBZAZTESA-N 1 3 305.466 2.087 50 0 DEAAHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC000058365082 184109457 /nfs/dbraw/zinc/10/94/57/184109457.db2.gz LVHCEUJXVSPXEZ-HOCLYGCPSA-N 1 3 321.440 2.104 50 0 DEAAHO CC(C)[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269253285 207393101 /nfs/dbraw/zinc/39/31/01/207393101.db2.gz IKMRZSRACLELKB-NXHRZFHOSA-N 1 3 317.477 2.481 50 0 DEAAHO CC(C)[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269253285 207393109 /nfs/dbraw/zinc/39/31/09/207393109.db2.gz IKMRZSRACLELKB-NXHRZFHOSA-N 1 3 317.477 2.481 50 0 DEAAHO O=C(CCC[NH+]1CCCC1)N1CCN(CC2CCCC2)CC1 ZINC000584898555 357330942 /nfs/dbraw/zinc/33/09/42/357330942.db2.gz BAEYJYMHPHSQIE-UHFFFAOYSA-N 1 3 307.482 2.197 50 0 DEAAHO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)N)CC[N@@H+]1Cc1ccccc1 ZINC000237378365 202249017 /nfs/dbraw/zinc/24/90/17/202249017.db2.gz HUJGRTKIOVSDRZ-GDBMZVCRSA-N 1 3 303.450 2.235 50 0 DEAAHO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)N)CC[N@H+]1Cc1ccccc1 ZINC000237378365 202249020 /nfs/dbraw/zinc/24/90/20/202249020.db2.gz HUJGRTKIOVSDRZ-GDBMZVCRSA-N 1 3 303.450 2.235 50 0 DEAAHO CCN1CCC[C@@H](C[NH+]2CCC(N3CCSCC3)CC2)C1 ZINC000019790121 182149272 /nfs/dbraw/zinc/14/92/72/182149272.db2.gz DSAMRWASCVTBDR-MRXNPFEDSA-N 1 3 311.539 2.232 50 0 DEAAHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000299739546 290391296 /nfs/dbraw/zinc/39/12/96/290391296.db2.gz PXDYQABZFYKPJG-ARFHVFGLSA-N 1 3 309.498 2.473 50 0 DEAAHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000299739546 290391302 /nfs/dbraw/zinc/39/13/02/290391302.db2.gz PXDYQABZFYKPJG-ARFHVFGLSA-N 1 3 309.498 2.473 50 0 DEAAHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(N)CC1 ZINC000237519252 290393417 /nfs/dbraw/zinc/39/34/17/290393417.db2.gz SUTBCZXHPSRULT-AWEZNQCLSA-N 1 3 301.434 2.169 50 0 DEAAHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(N)CC1 ZINC000237519252 290393420 /nfs/dbraw/zinc/39/34/20/290393420.db2.gz SUTBCZXHPSRULT-AWEZNQCLSA-N 1 3 301.434 2.169 50 0 DEAAHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N(C)C1CC1)CC2 ZINC000252476888 529112375 /nfs/dbraw/zinc/11/23/75/529112375.db2.gz DGBGFZJDXACSCU-UAGQMJEPSA-N 1 3 322.497 2.126 50 0 DEAAHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N(C)C1CC1)CC2 ZINC000252476888 529112381 /nfs/dbraw/zinc/11/23/81/529112381.db2.gz DGBGFZJDXACSCU-UAGQMJEPSA-N 1 3 322.497 2.126 50 0 DEAAHO CCc1nccn1C[C@@H](C)[NH2+]C1CCN(C2CCOCC2)CC1 ZINC000823557089 1090689124 /nfs/dbraw/zinc/68/91/24/1090689124.db2.gz AXRGPOCYWUOXSH-OAHLLOKOSA-N 1 3 320.481 2.067 50 0 DEAAHO COC[C@H]1C[N@H+](C)CC12CCN(Cc1scnc1C)CC2 ZINC000169789843 355984148 /nfs/dbraw/zinc/98/41/48/355984148.db2.gz WJTKFHUJLDSSCO-CQSZACIVSA-N 1 3 309.479 2.242 50 0 DEAAHO COC[C@H]1C[N@@H+](C)CC12CCN(Cc1scnc1C)CC2 ZINC000169789843 355984149 /nfs/dbraw/zinc/98/41/49/355984149.db2.gz WJTKFHUJLDSSCO-CQSZACIVSA-N 1 3 309.479 2.242 50 0 DEAAHO CCN1CCC[C@H](C[NH+]2CCC(N3CCSCC3)CC2)C1 ZINC000019790122 182149382 /nfs/dbraw/zinc/14/93/82/182149382.db2.gz DSAMRWASCVTBDR-INIZCTEOSA-N 1 3 311.539 2.232 50 0 DEAAHO CN(Cc1ccccc1C[NH+]1CCCC1)c1cc(CN)ncn1 ZINC000067920028 402178634 /nfs/dbraw/zinc/17/86/34/402178634.db2.gz VBGMXXFYQYNYQS-UHFFFAOYSA-N 1 3 311.433 2.168 50 0 DEAAHO CC(C)CN1CCC([NH2+]CCC(=O)N2CCC(C)CC2)CC1 ZINC000067886578 402177304 /nfs/dbraw/zinc/17/73/04/402177304.db2.gz YVNMFNGQGCRLJL-UHFFFAOYSA-N 1 3 309.498 2.345 50 0 DEAAHO OCC[NH+]1CCC(CNCc2c(F)cccc2Cl)CC1 ZINC000069415276 402221869 /nfs/dbraw/zinc/22/18/69/402221869.db2.gz CFGYLZPEONSHFF-UHFFFAOYSA-N 1 3 300.805 2.273 50 0 DEAAHO [NH3+]CCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000178832533 402544788 /nfs/dbraw/zinc/54/47/88/402544788.db2.gz UEZJUOQQAGCIRJ-UHFFFAOYSA-N 1 3 315.461 2.383 50 0 DEAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000269498424 403143989 /nfs/dbraw/zinc/14/39/89/403143989.db2.gz KWQDCMHAIUAIRC-PVAVHDDUSA-N 1 3 303.450 2.265 50 0 DEAAHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000269498424 403143991 /nfs/dbraw/zinc/14/39/91/403143991.db2.gz KWQDCMHAIUAIRC-PVAVHDDUSA-N 1 3 303.450 2.265 50 0 DEAAHO C[C@@H](CCCC(C)(C)O)CCN1CCC([N@H+](C)CCO)CC1 ZINC000032590215 683878361 /nfs/dbraw/zinc/87/83/61/683878361.db2.gz SZTCTUALRPLRQM-INIZCTEOSA-N 1 3 314.514 2.342 50 0 DEAAHO C[C@@H](CCCC(C)(C)O)CCN1CCC([N@@H+](C)CCO)CC1 ZINC000032590215 683878367 /nfs/dbraw/zinc/87/83/67/683878367.db2.gz SZTCTUALRPLRQM-INIZCTEOSA-N 1 3 314.514 2.342 50 0 DEAAHO CCN(Cc1ccccc1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072426018 191160304 /nfs/dbraw/zinc/16/03/04/191160304.db2.gz JZGGCKOBYWIWOE-QGZVFWFLSA-N 1 3 315.461 2.109 50 0 DEAAHO CN1[C@@H]2CC[C@H]1CCN(C(=O)CCC[NH2+]Cc1ccccc1)C2 ZINC000067726547 283260967 /nfs/dbraw/zinc/26/09/67/283260967.db2.gz GTQMQFQINPABOA-ZWKOTPCHSA-N 1 3 315.461 2.252 50 0 DEAAHO C[NH2+]C[C@@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000179001042 198966751 /nfs/dbraw/zinc/96/67/51/198966751.db2.gz GVMFEIZNAYDULO-ZDUSSCGKSA-N 1 3 315.417 2.176 50 0 DEAAHO C[C@H]1C[C@H](N(C)C(=O)CNC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237560629 202282280 /nfs/dbraw/zinc/28/22/80/202282280.db2.gz RYTMEIJXRIKBHL-MAUKXSAKSA-N 1 3 315.461 2.250 50 0 DEAAHO C[C@H]1C[C@H](N(C)C(=O)CNC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000237560629 202282284 /nfs/dbraw/zinc/28/22/84/202282284.db2.gz RYTMEIJXRIKBHL-MAUKXSAKSA-N 1 3 315.461 2.250 50 0 DEAAHO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]2)ccc1OCCN1CCCC1 ZINC000237717201 202336452 /nfs/dbraw/zinc/33/64/52/202336452.db2.gz QGHFUHLUFYEXLD-INIZCTEOSA-N 1 3 317.433 2.160 50 0 DEAAHO C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC000058365076 184109597 /nfs/dbraw/zinc/10/95/97/184109597.db2.gz LVHCEUJXVSPXEZ-GOEBONIOSA-N 1 3 321.440 2.104 50 0 DEAAHO CN(C)CC(C)(C)C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000066969723 402148365 /nfs/dbraw/zinc/14/83/65/402148365.db2.gz OFJSSAQQFDEIPN-UHFFFAOYSA-N 1 3 305.466 2.201 50 0 DEAAHO CC(C)C[NH+]1CCC(C(=O)NCCN2CCCC[C@H]2C)CC1 ZINC000058458906 277382882 /nfs/dbraw/zinc/38/28/82/277382882.db2.gz AYOOPKXBAWXZEO-MRXNPFEDSA-N 1 3 309.498 2.345 50 0 DEAAHO Cc1ccnc(N2CCN(CC3(C)CC[NH+](C)CC3)CC2)c1 ZINC000065535978 683924169 /nfs/dbraw/zinc/92/41/69/683924169.db2.gz NQNLWVWZDAVFKG-UHFFFAOYSA-N 1 3 302.466 2.244 50 0 DEAAHO COC[C@H]1CN(Cc2ccc(F)c(F)c2)CC12CC[NH2+]CC2 ZINC000169789794 355983983 /nfs/dbraw/zinc/98/39/83/355983983.db2.gz XPEMOCLABUHVBZ-CQSZACIVSA-N 1 3 310.388 2.413 50 0 DEAAHO CC1(C)CC(NC[C@@H](O)COCc2ccco2)CC(C)(C)[NH2+]1 ZINC000007982416 401746374 /nfs/dbraw/zinc/74/63/74/401746374.db2.gz LKSBPRBTIMUPEO-CQSZACIVSA-N 1 3 310.438 2.056 50 0 DEAAHO CC1(C)CC([NH2+]C[C@@H](O)COCc2ccco2)CC(C)(C)N1 ZINC000007982416 401746378 /nfs/dbraw/zinc/74/63/78/401746378.db2.gz LKSBPRBTIMUPEO-CQSZACIVSA-N 1 3 310.438 2.056 50 0 DEAAHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000095968942 402038624 /nfs/dbraw/zinc/03/86/24/402038624.db2.gz HMYGFWJZYOUHTE-GOSISDBHSA-N 1 3 305.441 2.429 50 0 DEAAHO CCCOCCN1CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000055167098 402077035 /nfs/dbraw/zinc/07/70/35/402077035.db2.gz NDWQZIWAKSAHOH-RBUKOAKNSA-N 1 3 323.525 2.295 50 0 DEAAHO CCCOCCN1CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000055167098 402077037 /nfs/dbraw/zinc/07/70/37/402077037.db2.gz NDWQZIWAKSAHOH-RBUKOAKNSA-N 1 3 323.525 2.295 50 0 DEAAHO CCCOCCN1CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000055167098 402077039 /nfs/dbraw/zinc/07/70/39/402077039.db2.gz NDWQZIWAKSAHOH-RBUKOAKNSA-N 1 3 323.525 2.295 50 0 DEAAHO CC(C)CN1CCC([NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000067540832 402161744 /nfs/dbraw/zinc/16/17/44/402161744.db2.gz FYRSSLUWBHZFED-UHFFFAOYSA-N 1 3 313.449 2.477 50 0 DEAAHO C[NH+]1CCC(NC[C@@H](O)c2cccc(OC(F)F)c2)CC1 ZINC000090910741 539418184 /nfs/dbraw/zinc/41/81/84/539418184.db2.gz DWZSFDWDLLTGLA-CQSZACIVSA-N 1 3 300.349 2.005 50 0 DEAAHO C[C@@H]1C[C@@H](N(C)C(=O)CCC[NH3+])CCN1Cc1ccccc1 ZINC000237465734 186293918 /nfs/dbraw/zinc/29/39/18/186293918.db2.gz UEDMXQBUJRLGCJ-WBVHZDCISA-N 1 3 303.450 2.237 50 0 DEAAHO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)N)CC[N@@H+]1Cc1ccccc1 ZINC000237638593 202314606 /nfs/dbraw/zinc/31/46/06/202314606.db2.gz HUJGRTKIOVSDRZ-HOCLYGCPSA-N 1 3 303.450 2.235 50 0 DEAAHO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)N)CC[N@H+]1Cc1ccccc1 ZINC000237638593 202314609 /nfs/dbraw/zinc/31/46/09/202314609.db2.gz HUJGRTKIOVSDRZ-HOCLYGCPSA-N 1 3 303.450 2.235 50 0 DEAAHO CC(C)CN1CCC([NH2+]C[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000067678959 402167252 /nfs/dbraw/zinc/16/72/52/402167252.db2.gz LVUCOKDIBKSKEF-INIZCTEOSA-N 1 3 321.509 2.488 50 0 DEAAHO CC[C@H](N)C(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000269250901 403125401 /nfs/dbraw/zinc/12/54/01/403125401.db2.gz HAMNLXZONDXTFR-INMHGKMJSA-N 1 3 317.477 2.339 50 0 DEAAHO NC[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccc2ccccc2c1 ZINC000295104341 403761250 /nfs/dbraw/zinc/76/12/50/403761250.db2.gz VIXRGRPTMUFXHO-QWFCFKBJSA-N 1 3 323.440 2.346 50 0 DEAAHO COc1ccc(C[C@H]2CN(C[C@H]3CC[C@@H]([NH3+])CC3)CCO2)cc1 ZINC000244795201 533807710 /nfs/dbraw/zinc/80/77/10/533807710.db2.gz RBKRWNGWHCKOSR-SCTDSRPQSA-N 1 3 318.461 2.456 50 0 DEAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCCC[C@@H]2C)C[C@H]1C ZINC000240668503 527822972 /nfs/dbraw/zinc/82/29/72/527822972.db2.gz HNCSSJKAPOIAQS-BBWFWOEESA-N 1 3 324.513 2.375 50 0 DEAAHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCCC[C@@H]2C)C[C@H]1C ZINC000240668503 527822977 /nfs/dbraw/zinc/82/29/77/527822977.db2.gz HNCSSJKAPOIAQS-BBWFWOEESA-N 1 3 324.513 2.375 50 0 DEAAHO C[N@@H+]1C[C@@H](CO)C2(C1)CCN(Cc1ccc3cc[nH]c3c1)CC2 ZINC000169750478 355980009 /nfs/dbraw/zinc/98/00/09/355980009.db2.gz JPWLFIWZLWTLPW-KRWDZBQOSA-N 1 3 313.445 2.304 50 0 DEAAHO C[N@H+]1C[C@@H](CO)C2(C1)CCN(Cc1ccc3cc[nH]c3c1)CC2 ZINC000169750478 355980012 /nfs/dbraw/zinc/98/00/12/355980012.db2.gz JPWLFIWZLWTLPW-KRWDZBQOSA-N 1 3 313.445 2.304 50 0 DEAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000020706310 182242916 /nfs/dbraw/zinc/24/29/16/182242916.db2.gz XULQHNBCBQLSCG-QGZVFWFLSA-N 1 3 324.513 2.377 50 0 DEAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000020706310 182242918 /nfs/dbraw/zinc/24/29/18/182242918.db2.gz XULQHNBCBQLSCG-QGZVFWFLSA-N 1 3 324.513 2.377 50 0 DEAAHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158255764 197256747 /nfs/dbraw/zinc/25/67/47/197256747.db2.gz ACMXPVDWAPBXFJ-GFCCVEGCSA-N 1 3 301.390 2.058 50 0 DEAAHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000089595012 401953675 /nfs/dbraw/zinc/95/36/75/401953675.db2.gz VCASDZHAFUFHEY-KZNAEPCWSA-N 1 3 323.525 2.340 50 0 DEAAHO CCN(CCC[NH+]1CCCC1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000252498788 402656364 /nfs/dbraw/zinc/65/63/64/402656364.db2.gz RLBIGAHYYACBKI-QGZVFWFLSA-N 1 3 324.513 2.236 50 0 DEAAHO C[C@H](C[NH+]1CCCCCC1)NC[C@@H](CO)Cc1ccccn1 ZINC000170606840 355989072 /nfs/dbraw/zinc/98/90/72/355989072.db2.gz ZFNCRHZJRVERTF-SJORKVTESA-N 1 3 305.466 2.087 50 0 DEAAHO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000012443680 401786571 /nfs/dbraw/zinc/78/65/71/401786571.db2.gz NKSGUBNSCXUYEB-HNNXBMFYSA-N 1 3 319.493 2.384 50 0 DEAAHO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000012443680 401786574 /nfs/dbraw/zinc/78/65/74/401786574.db2.gz NKSGUBNSCXUYEB-HNNXBMFYSA-N 1 3 319.493 2.384 50 0 DEAAHO Cc1cc(C)c2nccc(N3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)c2c1 ZINC000095353735 402026997 /nfs/dbraw/zinc/02/69/97/402026997.db2.gz CINSVXXQLXFSAL-KXBFYZLASA-N 1 3 311.429 2.402 50 0 DEAAHO Cc1cccc(=O)n1CCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000241368005 402443346 /nfs/dbraw/zinc/44/33/46/402443346.db2.gz MJHQVDUIAVCTIA-IRXDYDNUSA-N 1 3 303.450 2.153 50 0 DEAAHO Cc1cccc(=O)n1CCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000241368005 402443350 /nfs/dbraw/zinc/44/33/50/402443350.db2.gz MJHQVDUIAVCTIA-IRXDYDNUSA-N 1 3 303.450 2.153 50 0 DEAAHO Cc1cccc(=O)n1CCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000241368005 402443353 /nfs/dbraw/zinc/44/33/53/402443353.db2.gz MJHQVDUIAVCTIA-IRXDYDNUSA-N 1 3 303.450 2.153 50 0 DEAAHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000253426921 402665902 /nfs/dbraw/zinc/66/59/02/402665902.db2.gz BYBAUSKAUWDQAY-DOTOQJQBSA-N 1 3 321.440 2.233 50 0 DEAAHO CC[NH+]1CCC(N2CCCN(Cc3ccncc3)CC2)CC1 ZINC000420987079 405421037 /nfs/dbraw/zinc/42/10/37/405421037.db2.gz ZUZKAGKOEZHAKV-UHFFFAOYSA-N 1 3 302.466 2.074 50 0 DEAAHO Cc1cc(NCC[C@@H](C)N2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000534642949 334306023 /nfs/dbraw/zinc/30/60/23/334306023.db2.gz BLHCTTIQUWGIEK-MRXNPFEDSA-N 1 3 312.461 2.403 50 0 DEAAHO C[C@@H]([NH2+]CC1(C)OCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272832790 210232201 /nfs/dbraw/zinc/23/22/01/210232201.db2.gz QGAFZECMVJBOEF-WBVHZDCISA-N 1 3 304.434 2.250 50 0 DEAAHO C[C@H]([NH2+]CC1(C)OCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272832784 210230903 /nfs/dbraw/zinc/23/09/03/210230903.db2.gz QGAFZECMVJBOEF-DOTOQJQBSA-N 1 3 304.434 2.250 50 0 DEAAHO CC[C@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000117342897 401875183 /nfs/dbraw/zinc/87/51/83/401875183.db2.gz LIDORROVBSYPOL-INIZCTEOSA-N 1 3 309.498 2.488 50 0 DEAAHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000089595006 401953803 /nfs/dbraw/zinc/95/38/03/401953803.db2.gz VCASDZHAFUFHEY-KURKYZTESA-N 1 3 323.525 2.340 50 0 DEAAHO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744040 402747513 /nfs/dbraw/zinc/74/75/13/402747513.db2.gz CHESMUBNGVMFBO-ZWKOTPCHSA-N 1 3 311.514 2.028 50 0 DEAAHO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744040 402747515 /nfs/dbraw/zinc/74/75/15/402747515.db2.gz CHESMUBNGVMFBO-ZWKOTPCHSA-N 1 3 311.514 2.028 50 0 DEAAHO CC[N@@H+]1CC[C@]2(CCN(Cc3ccc4c(c3)CNCCO4)C2)C1 ZINC000299786284 403574439 /nfs/dbraw/zinc/57/44/39/403574439.db2.gz SHQOFDCTHVMWON-IBGZPJMESA-N 1 3 315.461 2.086 50 0 DEAAHO CC[N@H+]1CC[C@]2(CCN(Cc3ccc4c(c3)CNCCO4)C2)C1 ZINC000299786284 403574440 /nfs/dbraw/zinc/57/44/40/403574440.db2.gz SHQOFDCTHVMWON-IBGZPJMESA-N 1 3 315.461 2.086 50 0 DEAAHO Cc1[nH]c2ccccc2c(=O)c1CC[C@@H](C)[NH2+]C1CCNCC1 ZINC000426370948 405355186 /nfs/dbraw/zinc/35/51/86/405355186.db2.gz KHLYDVIPEIDFFT-CYBMUJFWSA-N 1 3 313.445 2.499 50 0 DEAAHO Cc1[nH]c2ccccc2c(=O)c1CC[C@@H](C)NC1CC[NH2+]CC1 ZINC000426370948 405355188 /nfs/dbraw/zinc/35/51/88/405355188.db2.gz KHLYDVIPEIDFFT-CYBMUJFWSA-N 1 3 313.445 2.499 50 0 DEAAHO CC[NH+]1CCC(NC[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000032500643 332218875 /nfs/dbraw/zinc/21/88/75/332218875.db2.gz WJKMWZHTSZKQCG-QGZVFWFLSA-N 1 3 306.450 2.117 50 0 DEAAHO COCCN1CCC([NH2+][C@H]2CCCN(C3CCCCC3)C2)CC1 ZINC000095422247 185360752 /nfs/dbraw/zinc/36/07/52/185360752.db2.gz XRPRKLISPQMAHA-SFHVURJKSA-N 1 3 323.525 2.484 50 0 DEAAHO C[NH+](C)C[C@@]1(O)CCCN(CCCOc2ccc(F)cc2)CC1 ZINC000072160886 191062255 /nfs/dbraw/zinc/06/22/55/191062255.db2.gz QHERYOBQVCEHDI-GOSISDBHSA-N 1 3 324.440 2.373 50 0 DEAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccoc1)CC[NH+](C)CC2 ZINC000072477375 191180207 /nfs/dbraw/zinc/18/02/07/191180207.db2.gz KFQDAXPEDVDRNL-MRXNPFEDSA-N 1 3 319.449 2.092 50 0 DEAAHO CN(Cc1cn(C)c2ccccc12)C[C@@H]1CCC[N@H+](CCO)C1 ZINC000065499829 184355331 /nfs/dbraw/zinc/35/53/31/184355331.db2.gz UINVVESXNNCCJD-INIZCTEOSA-N 1 3 315.461 2.314 50 0 DEAAHO CN(Cc1cn(C)c2ccccc12)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000065499829 184355333 /nfs/dbraw/zinc/35/53/33/184355333.db2.gz UINVVESXNNCCJD-INIZCTEOSA-N 1 3 315.461 2.314 50 0 DEAAHO CC1(C)CC(NC[C@H](O)COCc2ccco2)CC(C)(C)[NH2+]1 ZINC000007982414 401746421 /nfs/dbraw/zinc/74/64/21/401746421.db2.gz LKSBPRBTIMUPEO-AWEZNQCLSA-N 1 3 310.438 2.056 50 0 DEAAHO CC1(C)CC([NH2+]C[C@H](O)COCc2ccco2)CC(C)(C)N1 ZINC000007982414 401746422 /nfs/dbraw/zinc/74/64/22/401746422.db2.gz LKSBPRBTIMUPEO-AWEZNQCLSA-N 1 3 310.438 2.056 50 0 DEAAHO Cc1cc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)nc(N)n1 ZINC000091987888 193137521 /nfs/dbraw/zinc/13/75/21/193137521.db2.gz IVJDGQOZVNZJIM-UHFFFAOYSA-N 1 3 323.444 2.394 50 0 DEAAHO Cc1cc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)nc(N)n1 ZINC000091987888 193137523 /nfs/dbraw/zinc/13/75/23/193137523.db2.gz IVJDGQOZVNZJIM-UHFFFAOYSA-N 1 3 323.444 2.394 50 0 DEAAHO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CCN(C)CC2)C1 ZINC000225429259 402317296 /nfs/dbraw/zinc/31/72/96/402317296.db2.gz BQGXPVQEKIGHRH-WRXMGDCGSA-N 1 3 300.512 2.386 50 0 DEAAHO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CCN(C)CC2)C1 ZINC000239667470 402441871 /nfs/dbraw/zinc/44/18/71/402441871.db2.gz BQGXPVQEKIGHRH-MNFOOTCESA-N 1 3 300.512 2.386 50 0 DEAAHO Cc1nc(C(F)(F)F)ncc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000426503630 405365179 /nfs/dbraw/zinc/36/51/79/405365179.db2.gz WXQKTQMBTNDUGY-NSHDSACASA-N 1 3 302.344 2.365 50 0 DEAAHO CCC[NH+]1CCC2(CN(C)C[C@H]2c2noc(C3CC3)n2)CC1 ZINC000097940990 635928795 /nfs/dbraw/zinc/92/87/95/635928795.db2.gz HNFIRGUOJNRPQM-AWEZNQCLSA-N 1 3 304.438 2.468 50 0 DEAAHO OC1CC[NH+](Cc2ccc(CNCc3cccnc3)cc2)CC1 ZINC000078758047 355277790 /nfs/dbraw/zinc/27/77/90/355277790.db2.gz CINOQNBSNIZUIB-UHFFFAOYSA-N 1 3 311.429 2.328 50 0 DEAAHO C[C@H](CCCC(C)(C)O)CC[NH2+]CCC1(O)CCN(C)CC1 ZINC000032541383 401879737 /nfs/dbraw/zinc/87/97/37/401879737.db2.gz YZMNQSUPHADCMM-MRXNPFEDSA-N 1 3 314.514 2.390 50 0 DEAAHO C[C@@H]1CN(CC2CC[NH+](CCc3ccncc3)CC2)C[C@H](C)O1 ZINC000069484318 402225632 /nfs/dbraw/zinc/22/56/32/402225632.db2.gz SPRXGOCAUKSXNA-CALCHBBNSA-N 1 3 317.477 2.445 50 0 DEAAHO CC(C)[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000195554362 402850927 /nfs/dbraw/zinc/85/09/27/402850927.db2.gz LPYRQVFBPYIIHQ-RDJZCZTQSA-N 1 3 309.498 2.473 50 0 DEAAHO CC(C)[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000195554362 402850928 /nfs/dbraw/zinc/85/09/28/402850928.db2.gz LPYRQVFBPYIIHQ-RDJZCZTQSA-N 1 3 309.498 2.473 50 0 DEAAHO OC[C@]12CCCN[C@@H]1CC[N@H+](CCCOCc1ccccc1)C2 ZINC000072165756 191065929 /nfs/dbraw/zinc/06/59/29/191065929.db2.gz UCEKEXJXPIOEFG-RTBURBONSA-N 1 3 318.461 2.030 50 0 DEAAHO OC[C@]12CCCN[C@@H]1CC[N@@H+](CCCOCc1ccccc1)C2 ZINC000072165756 191065931 /nfs/dbraw/zinc/06/59/31/191065931.db2.gz UCEKEXJXPIOEFG-RTBURBONSA-N 1 3 318.461 2.030 50 0 DEAAHO CC(C)C[NH+]1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000014962622 401814352 /nfs/dbraw/zinc/81/43/52/401814352.db2.gz HPTNAVAXZMYWFS-HNNXBMFYSA-N 1 3 307.482 2.097 50 0 DEAAHO CCN(CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)C1CC1 ZINC000096444009 402088343 /nfs/dbraw/zinc/08/83/43/402088343.db2.gz JVNVGFMVFJLVQN-SJORKVTESA-N 1 3 322.497 2.127 50 0 DEAAHO CCN(CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)C1CC1 ZINC000096444009 402088346 /nfs/dbraw/zinc/08/83/46/402088346.db2.gz JVNVGFMVFJLVQN-SJORKVTESA-N 1 3 322.497 2.127 50 0 DEAAHO COc1ccc2c(c1)OC[C@@H](NC1CC[NH+](C(C)C)CC1)C2 ZINC000170073613 402503001 /nfs/dbraw/zinc/50/30/01/402503001.db2.gz GWXOKNKMYMCKTP-INIZCTEOSA-N 1 3 304.434 2.461 50 0 DEAAHO NC[C@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccc2ccccc2c1 ZINC000295104343 403761221 /nfs/dbraw/zinc/76/12/21/403761221.db2.gz VIXRGRPTMUFXHO-WSTZPKSXSA-N 1 3 323.440 2.346 50 0 DEAAHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(N)CC1 ZINC000237342372 287275914 /nfs/dbraw/zinc/27/59/14/287275914.db2.gz SUTBCZXHPSRULT-CQSZACIVSA-N 1 3 301.434 2.169 50 0 DEAAHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(N)CC1 ZINC000237342372 287275917 /nfs/dbraw/zinc/27/59/17/287275917.db2.gz SUTBCZXHPSRULT-CQSZACIVSA-N 1 3 301.434 2.169 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000299740438 529440633 /nfs/dbraw/zinc/44/06/33/529440633.db2.gz ZXDCBTPDACODDQ-PVAVHDDUSA-N 1 3 303.450 2.093 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000299740438 529440635 /nfs/dbraw/zinc/44/06/35/529440635.db2.gz ZXDCBTPDACODDQ-PVAVHDDUSA-N 1 3 303.450 2.093 50 0 DEAAHO CC[C@@H](C(N)=O)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000069871659 190830973 /nfs/dbraw/zinc/83/09/73/190830973.db2.gz BHCDPBRUFLRYSG-KRWDZBQOSA-N 1 3 317.477 2.484 50 0 DEAAHO CC[N@H+](CCOc1ccc(Cl)cc1)C[C@@]1(O)CCCNC1 ZINC000072422773 191158258 /nfs/dbraw/zinc/15/82/58/191158258.db2.gz UWWYMYJMAYLYOJ-MRXNPFEDSA-N 1 3 312.841 2.155 50 0 DEAAHO CC[N@@H+](CCOc1ccc(Cl)cc1)C[C@@]1(O)CCCNC1 ZINC000072422773 191158259 /nfs/dbraw/zinc/15/82/59/191158259.db2.gz UWWYMYJMAYLYOJ-MRXNPFEDSA-N 1 3 312.841 2.155 50 0 DEAAHO NC(=O)C1CCN(CCC[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000058148043 184080976 /nfs/dbraw/zinc/08/09/76/184080976.db2.gz UPLLLXYNTVKLDV-UHFFFAOYSA-N 1 3 309.841 2.017 50 0 DEAAHO CCOC(=O)N1CCC([NH2+]CCCN2CCC(C)CC2)CC1 ZINC000032916991 401885899 /nfs/dbraw/zinc/88/58/99/401885899.db2.gz BQWFGWMYGDUCPT-UHFFFAOYSA-N 1 3 311.470 2.319 50 0 DEAAHO CNCCC[NH2+]C1CCN(c2ccc(-n3ccnc3)cc2)CC1 ZINC000063845146 402116564 /nfs/dbraw/zinc/11/65/64/402116564.db2.gz FMUBJKQUYASKMD-UHFFFAOYSA-N 1 3 313.449 2.040 50 0 DEAAHO C[NH2+]CCCNC1CCN(c2ccc(-n3ccnc3)cc2)CC1 ZINC000063845146 402116567 /nfs/dbraw/zinc/11/65/67/402116567.db2.gz FMUBJKQUYASKMD-UHFFFAOYSA-N 1 3 313.449 2.040 50 0 DEAAHO C/C(=C\c1ccco1)CN1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067896393 402178196 /nfs/dbraw/zinc/17/81/96/402178196.db2.gz SQZWAJAKXLAANF-DTQAZKPQSA-N 1 3 303.450 2.395 50 0 DEAAHO C/C(=C\c1ccco1)CN1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067896393 402178199 /nfs/dbraw/zinc/17/81/99/402178199.db2.gz SQZWAJAKXLAANF-DTQAZKPQSA-N 1 3 303.450 2.395 50 0 DEAAHO CNC(=O)c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000170082862 402503205 /nfs/dbraw/zinc/50/32/05/402503205.db2.gz VTXGUGHHAZKOCA-QGZVFWFLSA-N 1 3 301.434 2.010 50 0 DEAAHO CC1CCN(CC[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246460465 402531759 /nfs/dbraw/zinc/53/17/59/402531759.db2.gz PHCVKXQNFPRCOR-GBESFXJTSA-N 1 3 323.525 2.292 50 0 DEAAHO CC1CCN(CC[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246460465 402531761 /nfs/dbraw/zinc/53/17/61/402531761.db2.gz PHCVKXQNFPRCOR-GBESFXJTSA-N 1 3 323.525 2.292 50 0 DEAAHO C[NH2+][C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000134114480 196362999 /nfs/dbraw/zinc/36/29/99/196362999.db2.gz KYMKTDUVUFJEAD-KRWDZBQOSA-N 1 3 301.434 2.106 50 0 DEAAHO CCC[NH+]1CCC(N2CCC[C@H](C(=O)N(CC)CC)C2)CC1 ZINC000000220796 683830062 /nfs/dbraw/zinc/83/00/62/683830062.db2.gz DHACCHUKAGDYTC-INIZCTEOSA-N 1 3 309.498 2.441 50 0 DEAAHO CN(C(=O)C1(N)CC1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072462861 191172924 /nfs/dbraw/zinc/17/29/24/191172924.db2.gz YWDFMRLTXXLZAY-KRWDZBQOSA-N 1 3 315.461 2.033 50 0 DEAAHO CN(C(=O)C1(N)CC1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072462861 191172926 /nfs/dbraw/zinc/17/29/26/191172926.db2.gz YWDFMRLTXXLZAY-KRWDZBQOSA-N 1 3 315.461 2.033 50 0 DEAAHO O[C@@]1(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)CCCNC1 ZINC000072478364 191179501 /nfs/dbraw/zinc/17/95/01/191179501.db2.gz BFTGUQNHRSMGLX-SFHVURJKSA-N 1 3 306.425 2.342 50 0 DEAAHO O[C@@]1(CNCC2(c3ccc(F)cc3)CCCC2)CCC[NH2+]C1 ZINC000072478364 191179504 /nfs/dbraw/zinc/17/95/04/191179504.db2.gz BFTGUQNHRSMGLX-SFHVURJKSA-N 1 3 306.425 2.342 50 0 DEAAHO CN1CC[C@@](C)(CNC(=O)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000584889654 357325802 /nfs/dbraw/zinc/32/58/02/357325802.db2.gz BQLXDJAGOPHUMQ-IBGZPJMESA-N 1 3 321.509 2.489 50 0 DEAAHO C[C@H]1C[C@@H](N(C)C(=O)CNC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237527923 202271459 /nfs/dbraw/zinc/27/14/59/202271459.db2.gz RYTMEIJXRIKBHL-YJBOKZPZSA-N 1 3 315.461 2.250 50 0 DEAAHO C[C@H]1C[C@@H](N(C)C(=O)CNC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000237527923 202271461 /nfs/dbraw/zinc/27/14/61/202271461.db2.gz RYTMEIJXRIKBHL-YJBOKZPZSA-N 1 3 315.461 2.250 50 0 DEAAHO CCN1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000056308841 184009640 /nfs/dbraw/zinc/00/96/40/184009640.db2.gz XRPBBPQYNJATQN-KRWDZBQOSA-N 1 3 307.482 2.242 50 0 DEAAHO CCN1CCC(NC(=O)C[N@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000056308841 184009643 /nfs/dbraw/zinc/00/96/43/184009643.db2.gz XRPBBPQYNJATQN-KRWDZBQOSA-N 1 3 307.482 2.242 50 0 DEAAHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158255615 197257367 /nfs/dbraw/zinc/25/73/67/197257367.db2.gz ACMXPVDWAPBXFJ-LBPRGKRZSA-N 1 3 301.390 2.058 50 0 DEAAHO C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H](C)N1 ZINC000153835012 402173528 /nfs/dbraw/zinc/17/35/28/402173528.db2.gz FJZIYWSKSMSQET-STQMWFEESA-N 1 3 315.417 2.317 50 0 DEAAHO CC[NH2+]CC[C@H]1CCC(=O)N1[C@H]1CCN(Cc2ccccc2)C1 ZINC000299785921 403574546 /nfs/dbraw/zinc/57/45/46/403574546.db2.gz PBCAZEOOJYOSSJ-MSOLQXFVSA-N 1 3 315.461 2.252 50 0 DEAAHO C[C@@H]1CN(Cc2ccccc2OCCN2CCCCC2)CC[NH2+]1 ZINC000244633337 424886381 /nfs/dbraw/zinc/88/63/81/424886381.db2.gz GBDYKOCMLRXPRG-QGZVFWFLSA-N 1 3 317.477 2.345 50 0 DEAAHO CC(C)(N)c1cn(C2CC[NH+](C3CCSCC3)CC2)nn1 ZINC000020514495 277307851 /nfs/dbraw/zinc/30/78/51/277307851.db2.gz NOOSUQKYDRIESJ-UHFFFAOYSA-N 1 3 309.483 2.004 50 0 DEAAHO CCOC1CC(O)(CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000328588842 528525314 /nfs/dbraw/zinc/52/53/14/528525314.db2.gz XCRPQLGYOPPFEH-UHFFFAOYSA-N 1 3 310.482 2.303 50 0 DEAAHO CCOC1CC(O)(C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000328588842 528525319 /nfs/dbraw/zinc/52/53/19/528525319.db2.gz XCRPQLGYOPPFEH-UHFFFAOYSA-N 1 3 310.482 2.303 50 0 DEAAHO CCCN1C[C@@H](NCc2cc(C[NH+]3CCCC3)cs2)CC1=O ZINC000952989527 792869421 /nfs/dbraw/zinc/86/94/21/792869421.db2.gz VXNTXDHSNGSGAS-HNNXBMFYSA-N 1 3 321.490 2.444 50 0 DEAAHO Cc1ccsc1CN(C)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072477597 191180151 /nfs/dbraw/zinc/18/01/51/191180151.db2.gz XDHUBPDXOWTYOG-CQSZACIVSA-N 1 3 321.490 2.089 50 0 DEAAHO [NH3+]CCc1ccc(CN2CCC(Oc3ncccn3)CC2)cc1 ZINC000215234968 201454763 /nfs/dbraw/zinc/45/47/63/201454763.db2.gz QOLDVRBNIYHQTQ-UHFFFAOYSA-N 1 3 312.417 2.021 50 0 DEAAHO C([C@H]1CCCO1)N1CCN(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067690897 402167990 /nfs/dbraw/zinc/16/79/90/402167990.db2.gz IFESXRSJPUCESQ-GOSISDBHSA-N 1 3 321.509 2.095 50 0 DEAAHO CC(C)CN1CCc2nnc([C@H]3CC[N@H+](CC(C)C)C3)n2CC1 ZINC000257187017 402701444 /nfs/dbraw/zinc/70/14/44/402701444.db2.gz LEMYCUWTCYFBDR-INIZCTEOSA-N 1 3 319.497 2.238 50 0 DEAAHO CC(C)CN1CCc2nnc([C@H]3CC[N@@H+](CC(C)C)C3)n2CC1 ZINC000257187017 402701445 /nfs/dbraw/zinc/70/14/45/402701445.db2.gz LEMYCUWTCYFBDR-INIZCTEOSA-N 1 3 319.497 2.238 50 0 DEAAHO Fc1ccc2nc(CN3CCC4(CC3)C[NH2+]CCO4)ccc2c1 ZINC000426500049 405364504 /nfs/dbraw/zinc/36/45/04/405364504.db2.gz DXHXIXYPSXUHMY-UHFFFAOYSA-N 1 3 315.392 2.328 50 0 DEAAHO C[C@H](CC(=O)N(C)C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000095421276 279243632 /nfs/dbraw/zinc/24/36/32/279243632.db2.gz XMOXKASGYBHGNL-OAHLLOKOSA-N 1 3 309.498 2.488 50 0 DEAAHO C[C@H](CC(=O)N(C)C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000095421276 279243634 /nfs/dbraw/zinc/24/36/34/279243634.db2.gz XMOXKASGYBHGNL-OAHLLOKOSA-N 1 3 309.498 2.488 50 0 DEAAHO O[C@@]1(C[NH2+]CCOc2ccccc2)CCCN2CCCC[C@@H]21 ZINC000063846213 646793073 /nfs/dbraw/zinc/79/30/73/646793073.db2.gz RFSUAYQWUXMNLD-QZTJIDSGSA-N 1 3 304.434 2.034 50 0 DEAAHO COc1ccc(/C=C/CN2CCC[C@](O)(C[NH+](C)C)CC2)cc1 ZINC000072172617 683928418 /nfs/dbraw/zinc/92/84/18/683928418.db2.gz LDXUAQUDDXKUMB-FHHGHWCOSA-N 1 3 318.461 2.487 50 0 DEAAHO CCCN1C[C@H](NCc2cc(C[NH+]3CCCC3)cs2)CC1=O ZINC000952989532 792869892 /nfs/dbraw/zinc/86/98/92/792869892.db2.gz VXNTXDHSNGSGAS-OAHLLOKOSA-N 1 3 321.490 2.444 50 0 DEAAHO C/C=C/C[NH+]1CCC(CNC(=O)[C@H]2CCCCCN2C)CC1 ZINC001506398686 1061940763 /nfs/dbraw/zinc/94/07/63/1061940763.db2.gz QQJYGRYBNJGIAQ-REMYHPOOSA-N 1 3 307.482 2.265 50 0 DEAAHO Cc1ccc2ncccc2c1CN1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091617018 193079368 /nfs/dbraw/zinc/07/93/68/193079368.db2.gz OOANXYFKYDVOME-HZPDHXFCSA-N 1 3 313.445 2.145 50 0 DEAAHO CN(C)Cc1ccccc1CN1CC2(CC[NH2+]CC2)CCC1=O ZINC000091820038 193111929 /nfs/dbraw/zinc/11/19/29/193111929.db2.gz MQVQQAJDDUSPIA-UHFFFAOYSA-N 1 3 315.461 2.240 50 0 DEAAHO C[C@]1(CO)CCCC[N@H+]1C/C=C/CN1CCCC[C@@]1(C)CO ZINC000253416880 291391899 /nfs/dbraw/zinc/39/18/99/291391899.db2.gz HRGQDTNSUTYICD-BNPWSIICSA-N 1 3 310.482 2.016 50 0 DEAAHO C[C@]1(CO)CCCC[N@@H+]1C/C=C/CN1CCCC[C@@]1(C)CO ZINC000253416880 291391904 /nfs/dbraw/zinc/39/19/04/291391904.db2.gz HRGQDTNSUTYICD-BNPWSIICSA-N 1 3 310.482 2.016 50 0 DEAAHO C[C@]1(CO)CCCCN1C/C=C/C[N@@H+]1CCCC[C@@]1(C)CO ZINC000253416880 291391905 /nfs/dbraw/zinc/39/19/05/291391905.db2.gz HRGQDTNSUTYICD-BNPWSIICSA-N 1 3 310.482 2.016 50 0 DEAAHO C[C@]1(CO)CCCCN1C/C=C/C[N@H+]1CCCC[C@@]1(C)CO ZINC000253416880 291391908 /nfs/dbraw/zinc/39/19/08/291391908.db2.gz HRGQDTNSUTYICD-BNPWSIICSA-N 1 3 310.482 2.016 50 0 DEAAHO CC(C)[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269253282 207391999 /nfs/dbraw/zinc/39/19/99/207391999.db2.gz IKMRZSRACLELKB-NJAFHUGGSA-N 1 3 317.477 2.481 50 0 DEAAHO CC(C)[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269253282 207392005 /nfs/dbraw/zinc/39/20/05/207392005.db2.gz IKMRZSRACLELKB-NJAFHUGGSA-N 1 3 317.477 2.481 50 0 DEAAHO Cc1nn(C)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000067452813 402160135 /nfs/dbraw/zinc/16/01/35/402160135.db2.gz RYPJHTFLCBCDNL-ZIAGYGMSSA-N 1 3 308.470 2.016 50 0 DEAAHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000253426926 402665823 /nfs/dbraw/zinc/66/58/23/402665823.db2.gz BYBAUSKAUWDQAY-WBVHZDCISA-N 1 3 321.440 2.233 50 0 DEAAHO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744051 402747541 /nfs/dbraw/zinc/74/75/41/402747541.db2.gz CHESMUBNGVMFBO-MSOLQXFVSA-N 1 3 311.514 2.028 50 0 DEAAHO CC[C@H](O)[C@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744051 402747544 /nfs/dbraw/zinc/74/75/44/402747544.db2.gz CHESMUBNGVMFBO-MSOLQXFVSA-N 1 3 311.514 2.028 50 0 DEAAHO CC(=O)NC(C)(C)C[C@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000820574052 1090553788 /nfs/dbraw/zinc/55/37/88/1090553788.db2.gz XARANKPHKZLFAO-HNNXBMFYSA-N 1 3 318.465 2.205 50 0 DEAAHO CC(C)C[NH+]1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000014962618 401814571 /nfs/dbraw/zinc/81/45/71/401814571.db2.gz HPTNAVAXZMYWFS-OAHLLOKOSA-N 1 3 307.482 2.097 50 0 DEAAHO CC(C)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000095427072 402032562 /nfs/dbraw/zinc/03/25/62/402032562.db2.gz AAJSQOYVEBBZJI-HOTGVXAUSA-N 1 3 317.477 2.257 50 0 DEAAHO C[NH+](C)CC1(CO)CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000215033197 402280467 /nfs/dbraw/zinc/28/04/67/402280467.db2.gz BFGGOKJTYAICBY-ONEGZZNKSA-N 1 3 306.425 2.475 50 0 DEAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccco1)CC[NH+](C)CC2 ZINC000072410301 191153390 /nfs/dbraw/zinc/15/33/90/191153390.db2.gz KPYWTKPNEHNYSA-MRXNPFEDSA-N 1 3 319.449 2.092 50 0 DEAAHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000106647181 194240590 /nfs/dbraw/zinc/24/05/90/194240590.db2.gz JTZHWVMENWCQJE-SOLBZPMBSA-N 1 3 310.482 2.377 50 0 DEAAHO CC[NH+](CC)CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000063696747 402114774 /nfs/dbraw/zinc/11/47/74/402114774.db2.gz PDFMUDKWURSGBC-UHFFFAOYSA-N 1 3 317.477 2.357 50 0 DEAAHO C/C=C/C[NH+]1CCC(CNC(=O)[C@@H]2CCCCCN2C)CC1 ZINC001506398684 1061938036 /nfs/dbraw/zinc/93/80/36/1061938036.db2.gz QQJYGRYBNJGIAQ-IDOMTICXSA-N 1 3 307.482 2.265 50 0 DEAAHO CC(C)=CCN1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000072271382 401705471 /nfs/dbraw/zinc/70/54/71/401705471.db2.gz HTZQYIWDQXXHAA-QGZVFWFLSA-N 1 3 322.497 2.153 50 0 DEAAHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000069508337 402227298 /nfs/dbraw/zinc/22/72/98/402227298.db2.gz JTZHWVMENWCQJE-NUJGCVRESA-N 1 3 310.482 2.377 50 0 DEAAHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000229444683 402343054 /nfs/dbraw/zinc/34/30/54/402343054.db2.gz JTZHWVMENWCQJE-JFIYKMOQSA-N 1 3 310.482 2.377 50 0 DEAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000269498417 403144308 /nfs/dbraw/zinc/14/43/08/403144308.db2.gz KWQDCMHAIUAIRC-OIISXLGYSA-N 1 3 303.450 2.265 50 0 DEAAHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000269498417 403144310 /nfs/dbraw/zinc/14/43/10/403144310.db2.gz KWQDCMHAIUAIRC-OIISXLGYSA-N 1 3 303.450 2.265 50 0 DEAAHO CO[C@H]1CN(C2CCN(c3ccc(F)cc3C)CC2)CC[C@H]1[NH3+] ZINC000071746099 191019319 /nfs/dbraw/zinc/01/93/19/191019319.db2.gz HRCRNUZGYVPAMD-AEFFLSMTSA-N 1 3 321.440 2.151 50 0 DEAAHO CO[C@H]1C[N@@H+](C2CCN(c3ccc(F)cc3C)CC2)CC[C@H]1N ZINC000071746099 191019322 /nfs/dbraw/zinc/01/93/22/191019322.db2.gz HRCRNUZGYVPAMD-AEFFLSMTSA-N 1 3 321.440 2.151 50 0 DEAAHO CO[C@H]1C[N@H+](C2CCN(c3ccc(F)cc3C)CC2)CC[C@H]1N ZINC000071746099 191019325 /nfs/dbraw/zinc/01/93/25/191019325.db2.gz HRCRNUZGYVPAMD-AEFFLSMTSA-N 1 3 321.440 2.151 50 0 DEAAHO CN1CC[C@](C)(CNC(=O)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000584889655 357326060 /nfs/dbraw/zinc/32/60/60/357326060.db2.gz BQLXDJAGOPHUMQ-LJQANCHMSA-N 1 3 321.509 2.489 50 0 DEAAHO C[N@@H+]1CCC2(C1)CCN(CCn1c3ccccc3oc1=O)CC2 ZINC000067867606 402176804 /nfs/dbraw/zinc/17/68/04/402176804.db2.gz QJTHTDBTUISGKS-UHFFFAOYSA-N 1 3 315.417 2.012 50 0 DEAAHO C[N@H+]1CCC2(C1)CCN(CCn1c3ccccc3oc1=O)CC2 ZINC000067867606 402176806 /nfs/dbraw/zinc/17/68/06/402176806.db2.gz QJTHTDBTUISGKS-UHFFFAOYSA-N 1 3 315.417 2.012 50 0 DEAAHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000229933740 402346161 /nfs/dbraw/zinc/34/61/61/402346161.db2.gz BKADSUXQNCKAFZ-JFIYKMOQSA-N 1 3 310.482 2.234 50 0 DEAAHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237728784 225212557 /nfs/dbraw/zinc/21/25/57/225212557.db2.gz YCTUKHVQUHMCIV-ROUUACIJSA-N 1 3 315.461 2.203 50 0 DEAAHO CC(C)(C)OC(=O)N1CC[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079073560 185154270 /nfs/dbraw/zinc/15/42/70/185154270.db2.gz LZBROWLQSVWJMG-KBPBESRZSA-N 1 3 309.454 2.070 50 0 DEAAHO CC(C)(C)OC(=O)N1CC[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079073560 185154271 /nfs/dbraw/zinc/15/42/71/185154271.db2.gz LZBROWLQSVWJMG-KBPBESRZSA-N 1 3 309.454 2.070 50 0 DEAAHO O=c1ccccn1CCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000670447531 540934715 /nfs/dbraw/zinc/93/47/15/540934715.db2.gz VNQKAJRWZLXGHN-UHFFFAOYSA-N 1 3 303.450 2.235 50 0 DEAAHO O=c1ccccn1CCCNC1CC[NH+](C2CCCC2)CC1 ZINC000670447531 540934718 /nfs/dbraw/zinc/93/47/18/540934718.db2.gz VNQKAJRWZLXGHN-UHFFFAOYSA-N 1 3 303.450 2.235 50 0 DEAAHO Cc1cc(CCN2CCCN(c3cc[nH+]c(C)c3)CC2)on1 ZINC000019595491 182132951 /nfs/dbraw/zinc/13/29/51/182132951.db2.gz AZUUYXMFLZDCPQ-UHFFFAOYSA-N 1 3 300.406 2.441 50 0 DEAAHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@H]1CCCC[N@@H+]1C ZINC000215296042 402281954 /nfs/dbraw/zinc/28/19/54/402281954.db2.gz ULMNUYHRUSVAAH-GOSISDBHSA-N 1 3 317.477 2.451 50 0 DEAAHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@H]1CCCC[N@H+]1C ZINC000215296042 402281959 /nfs/dbraw/zinc/28/19/59/402281959.db2.gz ULMNUYHRUSVAAH-GOSISDBHSA-N 1 3 317.477 2.451 50 0 DEAAHO CC(C)(C)[C@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178654867 402522154 /nfs/dbraw/zinc/52/21/54/402522154.db2.gz IMSWZPDJTMLZSJ-QGZVFWFLSA-N 1 3 317.477 2.183 50 0 DEAAHO CC1(C)CC(N2C[C@@H](Cc3ccccn3)[C@H](O)C2)CC(C)(C)[NH2+]1 ZINC001529158463 1070888484 /nfs/dbraw/zinc/88/84/84/1070888484.db2.gz DMTIOSJQYYUAMH-RHSMWYFYSA-N 1 3 317.477 2.226 50 0 DEAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccco1)CC[NH+](C)CC2 ZINC000072410302 191154234 /nfs/dbraw/zinc/15/42/34/191154234.db2.gz KPYWTKPNEHNYSA-INIZCTEOSA-N 1 3 319.449 2.092 50 0 DEAAHO Cc1cc(NC2CC[NH+](CCc3ccccc3)CC2)nc(N)n1 ZINC000091769039 193104212 /nfs/dbraw/zinc/10/42/12/193104212.db2.gz OEGOCGZGEOTSDJ-UHFFFAOYSA-N 1 3 311.433 2.486 50 0 DEAAHO CC(C)C[NH+]1CCC(C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000065405237 184338015 /nfs/dbraw/zinc/33/80/15/184338015.db2.gz VSCXVZWFXIGFQU-INIZCTEOSA-N 1 3 309.498 2.203 50 0 DEAAHO CC1CC[NH+](Cc2ccc(C(=O)NCCN(C)C)cc2)CC1 ZINC000030852736 401866067 /nfs/dbraw/zinc/86/60/67/401866067.db2.gz PNEDLIVARKLKMZ-UHFFFAOYSA-N 1 3 303.450 2.210 50 0 DEAAHO O[C@H]1CN(c2ccncc2)CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000097323896 402121768 /nfs/dbraw/zinc/12/17/68/402121768.db2.gz BOSMAYUGTJVNIN-GOSISDBHSA-N 1 3 322.412 2.246 50 0 DEAAHO O[C@H]1CN(c2ccncc2)CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000097323896 402121769 /nfs/dbraw/zinc/12/17/69/402121769.db2.gz BOSMAYUGTJVNIN-GOSISDBHSA-N 1 3 322.412 2.246 50 0 DEAAHO COc1ccccc1CCNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063844636 402116379 /nfs/dbraw/zinc/11/63/79/402116379.db2.gz AVZXSCCUBYNHFH-RTBURBONSA-N 1 3 318.461 2.207 50 0 DEAAHO COc1ccccc1CCNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063844636 402116382 /nfs/dbraw/zinc/11/63/82/402116382.db2.gz AVZXSCCUBYNHFH-RTBURBONSA-N 1 3 318.461 2.207 50 0 DEAAHO CN1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000054147535 402063334 /nfs/dbraw/zinc/06/33/34/402063334.db2.gz FTQBNLNZIGBYAD-UHFFFAOYSA-N 1 3 315.461 2.497 50 0 DEAAHO C[N@@H+]1CCC2(C1)CCN(Cc1ccc(-n3cncn3)cc1)CC2 ZINC000067689113 402167685 /nfs/dbraw/zinc/16/76/85/402167685.db2.gz FMMGOHAPDXGJKN-UHFFFAOYSA-N 1 3 311.433 2.185 50 0 DEAAHO C[N@H+]1CCC2(C1)CCN(Cc1ccc(-n3cncn3)cc1)CC2 ZINC000067689113 402167687 /nfs/dbraw/zinc/16/76/87/402167687.db2.gz FMMGOHAPDXGJKN-UHFFFAOYSA-N 1 3 311.433 2.185 50 0 DEAAHO Cc1cc(C[N@@H+]2CCC[C@@H](CCNC(=O)C3(N)CC3)C2)oc1C ZINC000071278994 402272024 /nfs/dbraw/zinc/27/20/24/402272024.db2.gz YXPDNFZMBNPDBD-HNNXBMFYSA-N 1 3 319.449 2.106 50 0 DEAAHO Cc1cc(C[N@H+]2CCC[C@@H](CCNC(=O)C3(N)CC3)C2)oc1C ZINC000071278994 402272026 /nfs/dbraw/zinc/27/20/26/402272026.db2.gz YXPDNFZMBNPDBD-HNNXBMFYSA-N 1 3 319.449 2.106 50 0 DEAAHO Cn1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(-c2ccncc2)n1 ZINC000071825214 402283386 /nfs/dbraw/zinc/28/33/86/402283386.db2.gz QTZNYQSMNMBKSR-AWEZNQCLSA-N 1 3 311.433 2.056 50 0 DEAAHO COc1ccc(C[C@@H]2CN(C[C@H]3CC[C@@H]([NH3+])CC3)CCO2)cc1 ZINC000244795202 533765914 /nfs/dbraw/zinc/76/59/14/533765914.db2.gz RBKRWNGWHCKOSR-ZIFCJYIRSA-N 1 3 318.461 2.456 50 0 DEAAHO CN1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000065364713 184328823 /nfs/dbraw/zinc/32/88/23/184328823.db2.gz UNNYHCIJVOIYGI-UHFFFAOYSA-N 1 3 301.434 2.106 50 0 DEAAHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000089595010 401953563 /nfs/dbraw/zinc/95/35/63/401953563.db2.gz VCASDZHAFUFHEY-SQNIBIBYSA-N 1 3 323.525 2.340 50 0 DEAAHO c1ccc(-c2nc3c(c(NCC4CC[NH2+]CC4)n2)CCNC3)cc1 ZINC000067676127 402167324 /nfs/dbraw/zinc/16/73/24/402167324.db2.gz NVLFNSATNCHIMR-UHFFFAOYSA-N 1 3 323.444 2.201 50 0 DEAAHO COc1ccc2c(c1)C=C(CN1C[C@H]3[C@H](C[NH+](C)C)[C@H]3C1)CO2 ZINC000102850604 402173362 /nfs/dbraw/zinc/17/33/62/402173362.db2.gz TVVPSCYNIWNYKJ-NNZMDNLPSA-N 1 3 314.429 2.210 50 0 DEAAHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237728878 402419692 /nfs/dbraw/zinc/41/96/92/402419692.db2.gz LZCSTPKYZLCGEY-DOTOQJQBSA-N 1 3 315.461 2.203 50 0 DEAAHO C[C@@H]1CN(CCC2CC[NH+](CCn3ccnc3)CC2)C[C@H](C)O1 ZINC000131636493 196186209 /nfs/dbraw/zinc/18/62/09/196186209.db2.gz QVMVDEPCYPZFMD-CALCHBBNSA-N 1 3 320.481 2.094 50 0 DEAAHO c1ccc(N2CC[C@H](N3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001506416213 1061960925 /nfs/dbraw/zinc/96/09/25/1061960925.db2.gz VIIVWZWYERPKLG-IBGZPJMESA-N 1 3 308.429 2.483 50 0 DEAAHO CCN(CCN1CCCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000823043430 1090661611 /nfs/dbraw/zinc/66/16/11/1090661611.db2.gz MXTCUHSPSNRPJB-UHFFFAOYSA-N 1 3 309.498 2.441 50 0 DEAAHO CC(C)C[C@H](N)C(=O)Nc1cn(C(C)(C)C[NH+]2CCCC2)cn1 ZINC000117132083 355775798 /nfs/dbraw/zinc/77/57/98/355775798.db2.gz XTAYXDLVUGSVPW-AWEZNQCLSA-N 1 3 321.469 2.026 50 0 DEAAHO C[C@@H](COc1ccccc1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000670439961 540933187 /nfs/dbraw/zinc/93/31/87/540933187.db2.gz IXOCKXAAFIYUAD-KRWDZBQOSA-N 1 3 318.461 2.377 50 0 DEAAHO COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc2c1OCCO2 ZINC000030907053 401867251 /nfs/dbraw/zinc/86/72/51/401867251.db2.gz AFELRFHTYSWBKN-CYBMUJFWSA-N 1 3 318.417 2.040 50 0 DEAAHO O=c1cc(CNCCC[NH+]2CCCC2)[nH]c2ccc(F)cc12 ZINC000095367482 402028296 /nfs/dbraw/zinc/02/82/96/402028296.db2.gz YCWMPKFVYJJPGK-UHFFFAOYSA-N 1 3 303.381 2.243 50 0 DEAAHO CN1CCC(C[N@@H+]2CC[C@@H](CNC(=O)C3CCCCC3)C2)CC1 ZINC000067756871 402172061 /nfs/dbraw/zinc/17/20/61/402172061.db2.gz XJYDHDVTJMARBG-KRWDZBQOSA-N 1 3 321.509 2.347 50 0 DEAAHO CN1CCC(C[N@H+]2CC[C@@H](CNC(=O)C3CCCCC3)C2)CC1 ZINC000067756871 402172062 /nfs/dbraw/zinc/17/20/62/402172062.db2.gz XJYDHDVTJMARBG-KRWDZBQOSA-N 1 3 321.509 2.347 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168510441 402496490 /nfs/dbraw/zinc/49/64/90/402496490.db2.gz QRRWXWAACIJVDL-OIISXLGYSA-N 1 3 303.450 2.235 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168510441 402496493 /nfs/dbraw/zinc/49/64/93/402496493.db2.gz QRRWXWAACIJVDL-OIISXLGYSA-N 1 3 303.450 2.235 50 0 DEAAHO CN1C[C@@H]2C[N@@H+](C[C@H]3CCCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000583651602 405781960 /nfs/dbraw/zinc/78/19/60/405781960.db2.gz PIXFKHCCTPXOBT-OWCLPIDISA-N 1 3 323.481 2.269 50 0 DEAAHO CN1C[C@@H]2C[N@H+](C[C@H]3CCCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000583651602 405781967 /nfs/dbraw/zinc/78/19/67/405781967.db2.gz PIXFKHCCTPXOBT-OWCLPIDISA-N 1 3 323.481 2.269 50 0 DEAAHO CC(C)[NH+]1CCN(CCCN2CCOc3ccccc3C2)CC1 ZINC000328589361 529042281 /nfs/dbraw/zinc/04/22/81/529042281.db2.gz FSAFPNZRJDREAF-UHFFFAOYSA-N 1 3 317.477 2.297 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000299740436 529440545 /nfs/dbraw/zinc/44/05/45/529440545.db2.gz ZXDCBTPDACODDQ-BHYGNILZSA-N 1 3 303.450 2.093 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000299740436 529440547 /nfs/dbraw/zinc/44/05/47/529440547.db2.gz ZXDCBTPDACODDQ-BHYGNILZSA-N 1 3 303.450 2.093 50 0 DEAAHO CC(C)=CCN1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000072271381 401705588 /nfs/dbraw/zinc/70/55/88/401705588.db2.gz HTZQYIWDQXXHAA-KRWDZBQOSA-N 1 3 322.497 2.153 50 0 DEAAHO CC(C)CC[NH+]1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012707414 401790268 /nfs/dbraw/zinc/79/02/68/401790268.db2.gz XKMLATWWAKIBIB-MRXNPFEDSA-N 1 3 321.509 2.488 50 0 DEAAHO CC(C)[NH+]1CCC(NC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000069444293 402224047 /nfs/dbraw/zinc/22/40/47/402224047.db2.gz NMRQNCJFNICOTD-UHFFFAOYSA-N 1 3 303.450 2.351 50 0 DEAAHO CC[NH2+]CC[C@@H]1CCC(=O)N1[C@H]1CCN(Cc2ccccc2)C1 ZINC000299785934 403574850 /nfs/dbraw/zinc/57/48/50/403574850.db2.gz PBCAZEOOJYOSSJ-ROUUACIJSA-N 1 3 315.461 2.252 50 0 DEAAHO C[C@H](COc1ccccc1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000670439962 540933168 /nfs/dbraw/zinc/93/31/68/540933168.db2.gz IXOCKXAAFIYUAD-QGZVFWFLSA-N 1 3 318.461 2.377 50 0 DEAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000020706314 182243258 /nfs/dbraw/zinc/24/32/58/182243258.db2.gz XULQHNBCBQLSCG-KRWDZBQOSA-N 1 3 324.513 2.377 50 0 DEAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000020706314 182243261 /nfs/dbraw/zinc/24/32/61/182243261.db2.gz XULQHNBCBQLSCG-KRWDZBQOSA-N 1 3 324.513 2.377 50 0 DEAAHO COc1ccc2c(c1)OC[C@H](NC1CC[NH+](C(C)C)CC1)C2 ZINC000170073611 402502952 /nfs/dbraw/zinc/50/29/52/402502952.db2.gz GWXOKNKMYMCKTP-MRXNPFEDSA-N 1 3 304.434 2.461 50 0 DEAAHO CCC[NH+]1CCC(N2CCC[C@@H](C(=O)N(CC)CC)C2)CC1 ZINC000000220778 683830583 /nfs/dbraw/zinc/83/05/83/683830583.db2.gz DHACCHUKAGDYTC-MRXNPFEDSA-N 1 3 309.498 2.441 50 0 DEAAHO CN(C)Cc1ccccc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000065370702 784574415 /nfs/dbraw/zinc/57/44/15/784574415.db2.gz QLBBAJTYKKRBCU-UHFFFAOYSA-N 1 3 315.461 2.306 50 0 DEAAHO Cc1ccccc1[C@H](C)CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000072286506 354899666 /nfs/dbraw/zinc/89/96/66/354899666.db2.gz UBOYEDJWLKIBKQ-QGZVFWFLSA-N 1 3 319.493 2.440 50 0 DEAAHO Cc1cccc(CN2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000077376537 191703320 /nfs/dbraw/zinc/70/33/20/191703320.db2.gz OIVQXYABIFFZIQ-QGZVFWFLSA-N 1 3 316.493 2.238 50 0 DEAAHO Cc1cc(N2CCC[N@H+](Cc3cccs3)CC2)nc(N)n1 ZINC000042106585 183232722 /nfs/dbraw/zinc/23/27/22/183232722.db2.gz HTTKHBZNYKSUMH-UHFFFAOYSA-N 1 3 303.435 2.141 50 0 DEAAHO Cc1cc(N2CCC[N@@H+](Cc3cccs3)CC2)nc(N)n1 ZINC000042106585 183232723 /nfs/dbraw/zinc/23/27/23/183232723.db2.gz HTTKHBZNYKSUMH-UHFFFAOYSA-N 1 3 303.435 2.141 50 0 DEAAHO CN(Cc1cn(C)c2ccccc12)C[C@H]1CCC[N@H+](CCO)C1 ZINC000065499835 184355559 /nfs/dbraw/zinc/35/55/59/184355559.db2.gz UINVVESXNNCCJD-MRXNPFEDSA-N 1 3 315.461 2.314 50 0 DEAAHO CN(Cc1cn(C)c2ccccc12)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000065499835 184355561 /nfs/dbraw/zinc/35/55/61/184355561.db2.gz UINVVESXNNCCJD-MRXNPFEDSA-N 1 3 315.461 2.314 50 0 DEAAHO COc1ccc(CNCC[C@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000002254887 401712642 /nfs/dbraw/zinc/71/26/42/401712642.db2.gz YPTJQGIRFIIISJ-MPGHIAIKSA-N 1 3 306.450 2.266 50 0 DEAAHO COc1ccc(CNCC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000002254887 401712646 /nfs/dbraw/zinc/71/26/46/401712646.db2.gz YPTJQGIRFIIISJ-MPGHIAIKSA-N 1 3 306.450 2.266 50 0 DEAAHO C[C@@H]1CN(CC2CC[NH+](CCc3ccncc3)CC2)C[C@@H](C)O1 ZINC000069484321 402225892 /nfs/dbraw/zinc/22/58/92/402225892.db2.gz SPRXGOCAUKSXNA-IAGOWNOFSA-N 1 3 317.477 2.445 50 0 DEAAHO CN(CCNC(=O)C[C@@H]1CCCC[N@@H+]1C)CCc1ccccc1 ZINC000216292590 402287948 /nfs/dbraw/zinc/28/79/48/402287948.db2.gz BEWCODXOBDKLNH-SFHVURJKSA-N 1 3 317.477 2.152 50 0 DEAAHO CN(CCNC(=O)C[C@@H]1CCCC[N@H+]1C)CCc1ccccc1 ZINC000216292590 402287949 /nfs/dbraw/zinc/28/79/49/402287949.db2.gz BEWCODXOBDKLNH-SFHVURJKSA-N 1 3 317.477 2.152 50 0 DEAAHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCCC[C@H]2C)C[C@@H]1C ZINC000240668505 402442522 /nfs/dbraw/zinc/44/25/22/402442522.db2.gz HNCSSJKAPOIAQS-IKGGRYGDSA-N 1 3 324.513 2.375 50 0 DEAAHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCCC[C@H]2C)C[C@@H]1C ZINC000240668505 402442524 /nfs/dbraw/zinc/44/25/24/402442524.db2.gz HNCSSJKAPOIAQS-IKGGRYGDSA-N 1 3 324.513 2.375 50 0 DEAAHO CCC[NH+]1CCC(N[C@@H]2COC[C@H]2Cc2ccncc2)CC1 ZINC001529133892 1070872829 /nfs/dbraw/zinc/87/28/29/1070872829.db2.gz MPVHUQNDYBWXCF-SJLPKXTDSA-N 1 3 303.450 2.103 50 0 DEAAHO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CCN(C)CC2)C1 ZINC000163010918 355972432 /nfs/dbraw/zinc/97/24/32/355972432.db2.gz BQGXPVQEKIGHRH-NTNQKNOYSA-N 1 3 300.512 2.386 50 0 DEAAHO CC(C)C[NH+]1CCC(C(=O)NCCN2CCCC[C@@H]2C)CC1 ZINC000065410299 402124873 /nfs/dbraw/zinc/12/48/73/402124873.db2.gz AYOOPKXBAWXZEO-INIZCTEOSA-N 1 3 309.498 2.345 50 0 DEAAHO C[C@@H]1C[C@H](N(C)C(=O)CCC[NH3+])CCN1Cc1ccccc1 ZINC000237378510 402406353 /nfs/dbraw/zinc/40/63/53/402406353.db2.gz UEDMXQBUJRLGCJ-NVXWUHKLSA-N 1 3 303.450 2.237 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269268325 403126739 /nfs/dbraw/zinc/12/67/39/403126739.db2.gz QRRWXWAACIJVDL-XIRDDKMYSA-N 1 3 303.450 2.235 50 0 DEAAHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269268325 403126740 /nfs/dbraw/zinc/12/67/40/403126740.db2.gz QRRWXWAACIJVDL-XIRDDKMYSA-N 1 3 303.450 2.235 50 0 DEAAHO C[NH+]1CCC2(CCN([C@H]3CCCN(CC(C)(C)C)C3=O)C2)CC1 ZINC000585115981 405870080 /nfs/dbraw/zinc/87/00/80/405870080.db2.gz CJTUMLFFBDKNFA-INIZCTEOSA-N 1 3 321.509 2.441 50 0 DEAAHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000237728843 225212614 /nfs/dbraw/zinc/21/26/14/225212614.db2.gz YCTUKHVQUHMCIV-ZWKOTPCHSA-N 1 3 315.461 2.203 50 0 DEAAHO CN(CC[N@H+](C)C1CCCC1)C(=O)C[C@H](N)c1ccccc1 ZINC000952984896 792865354 /nfs/dbraw/zinc/86/53/54/792865354.db2.gz UERZOUSYMNAUKD-KRWDZBQOSA-N 1 3 303.450 2.409 50 0 DEAAHO CN(CC[N@@H+](C)C1CCCC1)C(=O)C[C@H](N)c1ccccc1 ZINC000952984896 792865364 /nfs/dbraw/zinc/86/53/64/792865364.db2.gz UERZOUSYMNAUKD-KRWDZBQOSA-N 1 3 303.450 2.409 50 0 DEAAHO CN(C)c1ncc(CN2CCC3(CC2)CCC[N@H+](C)CC3)cn1 ZINC000823777499 1090697213 /nfs/dbraw/zinc/69/72/13/1090697213.db2.gz CCFMCCDVTMYPFZ-UHFFFAOYSA-N 1 3 317.481 2.241 50 0 DEAAHO CN(C)c1ncc(CN2CCC3(CC2)CCC[N@@H+](C)CC3)cn1 ZINC000823777499 1090697215 /nfs/dbraw/zinc/69/72/15/1090697215.db2.gz CCFMCCDVTMYPFZ-UHFFFAOYSA-N 1 3 317.481 2.241 50 0 DEAAHO Cc1cc(C)c2nccc(NCC[NH+]3CCC(CO)CC3)c2c1 ZINC000584887062 357325017 /nfs/dbraw/zinc/32/50/17/357325017.db2.gz KTXBCUPZKLGCTL-UHFFFAOYSA-N 1 3 313.445 2.390 50 0 DEAAHO CC[C@@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000117342895 401874828 /nfs/dbraw/zinc/87/48/28/401874828.db2.gz LIDORROVBSYPOL-MRXNPFEDSA-N 1 3 309.498 2.488 50 0 DEAAHO