smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000095530701 283297401 /nfs/dbraw/zinc/29/74/01/283297401.db2.gz QGTYXHZEFWUREO-LLVKDONJSA-N 2 2 325.376 1.024 10 0 EDAELP CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c[nH+]1 ZINC000104787689 204120687 /nfs/dbraw/zinc/12/06/87/204120687.db2.gz AQIAAHHGEZNAGU-HNNXBMFYSA-N 2 2 335.452 1.058 10 0 EDAELP CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c[nH+]1 ZINC000104787689 204120691 /nfs/dbraw/zinc/12/06/91/204120691.db2.gz AQIAAHHGEZNAGU-HNNXBMFYSA-N 2 2 335.452 1.058 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cn3ccccc3n2)nc[nH+]1 ZINC000105797646 204160739 /nfs/dbraw/zinc/16/07/39/204160739.db2.gz ZJOLYIVBNRGQIU-OAHLLOKOSA-N 2 2 337.431 1.925 10 0 EDAELP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297742 139012946 /nfs/dbraw/zinc/01/29/46/139012946.db2.gz RHTALKJSKXYMNP-FUHWJXTLSA-N 2 2 332.492 1.996 10 0 EDAELP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297742 139012947 /nfs/dbraw/zinc/01/29/47/139012947.db2.gz RHTALKJSKXYMNP-FUHWJXTLSA-N 2 2 332.492 1.996 10 0 EDAELP CC(C)CNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297742 139012948 /nfs/dbraw/zinc/01/29/48/139012948.db2.gz RHTALKJSKXYMNP-FUHWJXTLSA-N 2 2 332.492 1.996 10 0 EDAELP CC(C)CNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297742 139012949 /nfs/dbraw/zinc/01/29/49/139012949.db2.gz RHTALKJSKXYMNP-FUHWJXTLSA-N 2 2 332.492 1.996 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000247201503 139140172 /nfs/dbraw/zinc/14/01/72/139140172.db2.gz TXLOFZCNVMTWCO-IEBWSBKVSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000247201503 139140173 /nfs/dbraw/zinc/14/01/73/139140173.db2.gz TXLOFZCNVMTWCO-IEBWSBKVSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000247201503 139140174 /nfs/dbraw/zinc/14/01/74/139140174.db2.gz TXLOFZCNVMTWCO-IEBWSBKVSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000247201503 139140175 /nfs/dbraw/zinc/14/01/75/139140175.db2.gz TXLOFZCNVMTWCO-IEBWSBKVSA-N 2 2 345.487 1.830 10 0 EDAELP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)CC2)c1 ZINC000261665296 139215608 /nfs/dbraw/zinc/21/56/08/139215608.db2.gz IPRSRACJTBYORI-SFHVURJKSA-N 2 2 344.503 1.703 10 0 EDAELP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)CC2)c1 ZINC000261665296 139215609 /nfs/dbraw/zinc/21/56/09/139215609.db2.gz IPRSRACJTBYORI-SFHVURJKSA-N 2 2 344.503 1.703 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000117299293 221049630 /nfs/dbraw/zinc/04/96/30/221049630.db2.gz GALCRBLKAIKIDP-QZTJIDSGSA-N 2 2 333.476 1.859 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CCOC ZINC000117299293 221049632 /nfs/dbraw/zinc/04/96/32/221049632.db2.gz GALCRBLKAIKIDP-QZTJIDSGSA-N 2 2 333.476 1.859 10 0 EDAELP F[C@H]1C[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)N(c2cccnn2)C1 ZINC000328623663 258034529 /nfs/dbraw/zinc/03/45/29/258034529.db2.gz CBCXMWCNRSCGEA-ZFWWWQNUSA-N 2 2 326.379 1.831 10 0 EDAELP C[C@@H]([NH2+]CCCOC(=O)NC(N)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189907168 533384409 /nfs/dbraw/zinc/38/44/09/533384409.db2.gz SKKIFKUKUDKNHJ-GFCCVEGCSA-N 2 2 331.376 1.718 10 0 EDAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCOC)C12CCOCC2 ZINC000249036707 286391080 /nfs/dbraw/zinc/39/10/80/286391080.db2.gz UFJJKQRFTBAKAU-IXDOHACOSA-N 2 2 326.481 1.661 10 0 EDAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCOC)C12CCOCC2 ZINC000249036707 286391081 /nfs/dbraw/zinc/39/10/81/286391081.db2.gz UFJJKQRFTBAKAU-IXDOHACOSA-N 2 2 326.481 1.661 10 0 EDAELP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105103771 441233697 /nfs/dbraw/zinc/23/36/97/441233697.db2.gz QTVHTJSNDAPFBB-SJORKVTESA-N 2 2 338.496 1.223 10 0 EDAELP CC(C)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105103771 441233699 /nfs/dbraw/zinc/23/36/99/441233699.db2.gz QTVHTJSNDAPFBB-SJORKVTESA-N 2 2 338.496 1.223 10 0 EDAELP CC[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000117300031 441869293 /nfs/dbraw/zinc/86/92/93/441869293.db2.gz SNBUTVIHQURBCR-RBUKOAKNSA-N 2 2 347.503 1.729 10 0 EDAELP CC[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1CCOC ZINC000117300031 441869297 /nfs/dbraw/zinc/86/92/97/441869297.db2.gz SNBUTVIHQURBCR-RBUKOAKNSA-N 2 2 347.503 1.729 10 0 EDAELP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000125233696 442000723 /nfs/dbraw/zinc/00/07/23/442000723.db2.gz KDDPTCZYKNXAAM-OFLPRAFFSA-N 2 2 338.496 1.223 10 0 EDAELP COCOc1ccc(OC)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000164104100 442190446 /nfs/dbraw/zinc/19/04/46/442190446.db2.gz BVYRPLTVAJBGLK-MRXNPFEDSA-N 2 2 338.448 1.614 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000170920238 442288886 /nfs/dbraw/zinc/28/88/86/442288886.db2.gz CQALOBGBERSTGS-SFHVURJKSA-N 2 2 346.475 1.412 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000170920238 442288888 /nfs/dbraw/zinc/28/88/88/442288888.db2.gz CQALOBGBERSTGS-SFHVURJKSA-N 2 2 346.475 1.412 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cn(C)nc2C)nc[nH+]1 ZINC000180565779 442623687 /nfs/dbraw/zinc/62/36/87/442623687.db2.gz XLLWTWWRMUULOM-GXTWGEPZSA-N 2 2 329.452 1.880 10 0 EDAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000194746756 442948192 /nfs/dbraw/zinc/94/81/92/442948192.db2.gz RVAKMIHDJOOKGY-SCTDSRPQSA-N 2 2 347.503 1.727 10 0 EDAELP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000194746756 442948198 /nfs/dbraw/zinc/94/81/98/442948198.db2.gz RVAKMIHDJOOKGY-SCTDSRPQSA-N 2 2 347.503 1.727 10 0 EDAELP CNC(=O)[C@@]1(COC)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000643764406 452604408 /nfs/dbraw/zinc/60/44/08/452604408.db2.gz XAJBBHPCYDYGQF-SFHVURJKSA-N 2 2 328.416 1.599 10 0 EDAELP CNC(=O)[C@@]1(COC)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000643764406 452604417 /nfs/dbraw/zinc/60/44/17/452604417.db2.gz XAJBBHPCYDYGQF-SFHVURJKSA-N 2 2 328.416 1.599 10 0 EDAELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000184293463 533910785 /nfs/dbraw/zinc/91/07/85/533910785.db2.gz RAAHRHUFPWITAY-MJGOQNOKSA-N 2 2 346.519 1.302 10 0 EDAELP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000184293463 533910794 /nfs/dbraw/zinc/91/07/94/533910794.db2.gz RAAHRHUFPWITAY-MJGOQNOKSA-N 2 2 346.519 1.302 10 0 EDAELP CCS(=O)(=O)NCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189892136 237367292 /nfs/dbraw/zinc/36/72/92/237367292.db2.gz JXQRDAXVQWFCPJ-CQSZACIVSA-N 2 2 336.461 1.852 10 0 EDAELP C[N@@H+]1CCc2nc(NC(=O)Cc3csc(CC[NH3+])n3)sc2C1 ZINC000071696973 203103182 /nfs/dbraw/zinc/10/31/82/203103182.db2.gz AHQUTSYMZGBDQQ-UHFFFAOYSA-N 2 2 337.474 1.270 10 0 EDAELP C[N@H+]1CCc2nc(NC(=O)Cc3csc(CC[NH3+])n3)sc2C1 ZINC000071696973 203103184 /nfs/dbraw/zinc/10/31/84/203103184.db2.gz AHQUTSYMZGBDQQ-UHFFFAOYSA-N 2 2 337.474 1.270 10 0 EDAELP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000104798845 204122318 /nfs/dbraw/zinc/12/23/18/204122318.db2.gz SECFDGSIUMKADF-CVEARBPZSA-N 2 2 338.427 1.058 10 0 EDAELP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000104798845 204122323 /nfs/dbraw/zinc/12/23/23/204122323.db2.gz SECFDGSIUMKADF-CVEARBPZSA-N 2 2 338.427 1.058 10 0 EDAELP CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797775 204159969 /nfs/dbraw/zinc/15/99/69/204159969.db2.gz DRBTYRMFQGVGPP-KKUMJFAQSA-N 2 2 348.495 1.770 10 0 EDAELP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2C[NH+](C)CCO2)c1 ZINC000105207357 204137501 /nfs/dbraw/zinc/13/75/01/204137501.db2.gz VXNYBDOHYVVTEA-KRWDZBQOSA-N 2 2 334.464 1.268 10 0 EDAELP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2C[NH+](C)CCO2)c1 ZINC000105207357 204137505 /nfs/dbraw/zinc/13/75/05/204137505.db2.gz VXNYBDOHYVVTEA-KRWDZBQOSA-N 2 2 334.464 1.268 10 0 EDAELP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000105207357 204137506 /nfs/dbraw/zinc/13/75/06/204137506.db2.gz VXNYBDOHYVVTEA-KRWDZBQOSA-N 2 2 334.464 1.268 10 0 EDAELP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000105207357 204137510 /nfs/dbraw/zinc/13/75/10/204137510.db2.gz VXNYBDOHYVVTEA-KRWDZBQOSA-N 2 2 334.464 1.268 10 0 EDAELP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000111229497 204343880 /nfs/dbraw/zinc/34/38/80/204343880.db2.gz AHSWHZAMMZLTLC-CQSZACIVSA-N 2 2 336.436 1.104 10 0 EDAELP CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000111229497 204343885 /nfs/dbraw/zinc/34/38/85/204343885.db2.gz AHSWHZAMMZLTLC-CQSZACIVSA-N 2 2 336.436 1.104 10 0 EDAELP C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCC[NH+](C)C)c2cccs2)CCO1 ZINC000133814104 205380645 /nfs/dbraw/zinc/38/06/45/205380645.db2.gz ROQDPCFTGIWXGT-KBPBESRZSA-N 2 2 340.493 1.371 10 0 EDAELP C[C@H]1C[N@H+]([C@@H](CNC(=O)NCC[NH+](C)C)c2cccs2)CCO1 ZINC000133814104 205380650 /nfs/dbraw/zinc/38/06/50/205380650.db2.gz ROQDPCFTGIWXGT-KBPBESRZSA-N 2 2 340.493 1.371 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000105896339 206458999 /nfs/dbraw/zinc/45/89/99/206458999.db2.gz KXORTEWIIXDDEP-CYBMUJFWSA-N 2 2 335.452 1.707 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000105896339 206459004 /nfs/dbraw/zinc/45/90/04/206459004.db2.gz KXORTEWIIXDDEP-CYBMUJFWSA-N 2 2 335.452 1.707 10 0 EDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000247505862 139150801 /nfs/dbraw/zinc/15/08/01/139150801.db2.gz XYDBYHCIMUQSNC-GDBMZVCRSA-N 2 2 342.447 1.795 10 0 EDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000247505862 139150802 /nfs/dbraw/zinc/15/08/02/139150802.db2.gz XYDBYHCIMUQSNC-GDBMZVCRSA-N 2 2 342.447 1.795 10 0 EDAELP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000261655551 139214858 /nfs/dbraw/zinc/21/48/58/139214858.db2.gz FJOPWJZAORTZFY-BBRMVZONSA-N 2 2 337.851 1.534 10 0 EDAELP CCC[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[NH+](C)C ZINC000121037212 442168276 /nfs/dbraw/zinc/16/82/76/442168276.db2.gz JFWXQAKOMXLJEO-QGZVFWFLSA-N 3 2 338.540 1.783 10 0 EDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000121062812 442172507 /nfs/dbraw/zinc/17/25/07/442172507.db2.gz MKUOVIVDNBXVRP-LJQANCHMSA-N 2 2 333.476 1.619 10 0 EDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000121062812 442172510 /nfs/dbraw/zinc/17/25/10/442172510.db2.gz MKUOVIVDNBXVRP-LJQANCHMSA-N 2 2 333.476 1.619 10 0 EDAELP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000097165375 442178855 /nfs/dbraw/zinc/17/88/55/442178855.db2.gz FDSWJTJCHLSJGV-AOIWGVFYSA-N 2 2 344.503 1.971 10 0 EDAELP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000097165375 442178860 /nfs/dbraw/zinc/17/88/60/442178860.db2.gz FDSWJTJCHLSJGV-AOIWGVFYSA-N 2 2 344.503 1.971 10 0 EDAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000170827028 442269737 /nfs/dbraw/zinc/26/97/37/442269737.db2.gz KJHBXZCTYIQQAO-MSOLQXFVSA-N 2 2 346.475 1.405 10 0 EDAELP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000171684786 442370288 /nfs/dbraw/zinc/37/02/88/442370288.db2.gz SAOVTMCFENVBBX-LJQANCHMSA-N 2 2 333.476 1.380 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000171613131 442362200 /nfs/dbraw/zinc/36/22/00/442362200.db2.gz ZKSBSEJZPTVMTI-OAHLLOKOSA-N 2 2 347.463 1.851 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000171613131 442362204 /nfs/dbraw/zinc/36/22/04/442362204.db2.gz ZKSBSEJZPTVMTI-OAHLLOKOSA-N 2 2 347.463 1.851 10 0 EDAELP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2=O)n(C)n1 ZINC000180660575 442645031 /nfs/dbraw/zinc/64/50/31/442645031.db2.gz IKXWNQJKRDWGSD-MRXNPFEDSA-N 2 2 333.480 1.686 10 0 EDAELP CCn1cc([C@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)cn1 ZINC000192846351 442692247 /nfs/dbraw/zinc/69/22/47/442692247.db2.gz DLSUWMFDCGKNOD-LJQANCHMSA-N 2 2 349.523 1.692 10 0 EDAELP CCn1cc([C@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)cn1 ZINC000192846351 442692248 /nfs/dbraw/zinc/69/22/48/442692248.db2.gz DLSUWMFDCGKNOD-LJQANCHMSA-N 2 2 349.523 1.692 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000247400380 442851847 /nfs/dbraw/zinc/85/18/47/442851847.db2.gz YICMHFCCRAHTAT-BRWVUGGUSA-N 2 2 337.464 1.639 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000247400380 442851851 /nfs/dbraw/zinc/85/18/51/442851851.db2.gz YICMHFCCRAHTAT-BRWVUGGUSA-N 2 2 337.464 1.639 10 0 EDAELP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCO1 ZINC000183136269 442886488 /nfs/dbraw/zinc/88/64/88/442886488.db2.gz WBIPYRGRWVDSII-CRAIPNDOSA-N 2 2 347.459 1.614 10 0 EDAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000665283543 453635431 /nfs/dbraw/zinc/63/54/31/453635431.db2.gz PMZOPSZLXWVEDV-SXLOBPIMSA-N 3 2 330.520 1.780 10 0 EDAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000665283543 453635436 /nfs/dbraw/zinc/63/54/36/453635436.db2.gz PMZOPSZLXWVEDV-SXLOBPIMSA-N 3 2 330.520 1.780 10 0 EDAELP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000195515956 534979458 /nfs/dbraw/zinc/97/94/58/534979458.db2.gz BLIIHPABQSGDPK-CYBMUJFWSA-N 2 2 331.420 1.146 10 0 EDAELP CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000195515956 534979463 /nfs/dbraw/zinc/97/94/63/534979463.db2.gz BLIIHPABQSGDPK-CYBMUJFWSA-N 2 2 331.420 1.146 10 0 EDAELP C[NH2+][C@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1cnn(C)c1 ZINC000262028844 536388362 /nfs/dbraw/zinc/38/83/62/536388362.db2.gz BISZKNJQHZMICR-KRWDZBQOSA-N 2 2 343.431 1.152 10 0 EDAELP CCc1csc([C@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093169639 138292300 /nfs/dbraw/zinc/29/23/00/138292300.db2.gz XEZJEMQUKMFDAN-AWEZNQCLSA-N 2 2 336.505 1.659 10 0 EDAELP CCc1csc([C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093169639 138292301 /nfs/dbraw/zinc/29/23/01/138292301.db2.gz XEZJEMQUKMFDAN-AWEZNQCLSA-N 2 2 336.505 1.659 10 0 EDAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105101291 204134170 /nfs/dbraw/zinc/13/41/70/204134170.db2.gz DNWCUQADURADLS-MRXNPFEDSA-N 2 2 327.432 1.757 10 0 EDAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105101291 204134171 /nfs/dbraw/zinc/13/41/71/204134171.db2.gz DNWCUQADURADLS-MRXNPFEDSA-N 2 2 327.432 1.757 10 0 EDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000105915196 204180487 /nfs/dbraw/zinc/18/04/87/204180487.db2.gz AVWBJVVDRHTEBK-IBGZPJMESA-N 2 2 332.492 1.351 10 0 EDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000105915196 204180492 /nfs/dbraw/zinc/18/04/92/204180492.db2.gz AVWBJVVDRHTEBK-IBGZPJMESA-N 2 2 332.492 1.351 10 0 EDAELP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246176812 139097776 /nfs/dbraw/zinc/09/77/76/139097776.db2.gz UFONXYPEVLIJRI-STQMWFEESA-N 2 2 342.451 1.410 10 0 EDAELP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246176812 139097777 /nfs/dbraw/zinc/09/77/77/139097777.db2.gz UFONXYPEVLIJRI-STQMWFEESA-N 2 2 342.451 1.410 10 0 EDAELP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261813293 139228270 /nfs/dbraw/zinc/22/82/70/139228270.db2.gz XBKOFZGPRUIBHF-BXUZGUMPSA-N 2 2 336.411 1.922 10 0 EDAELP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261813293 139228271 /nfs/dbraw/zinc/22/82/71/139228271.db2.gz XBKOFZGPRUIBHF-BXUZGUMPSA-N 2 2 336.411 1.922 10 0 EDAELP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000174333645 207012781 /nfs/dbraw/zinc/01/27/81/207012781.db2.gz KQUWJWCZYRJYGS-NUJGCVRESA-N 2 2 333.476 1.593 10 0 EDAELP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000174333645 207012788 /nfs/dbraw/zinc/01/27/88/207012788.db2.gz KQUWJWCZYRJYGS-NUJGCVRESA-N 2 2 333.476 1.593 10 0 EDAELP CC[NH+](C)[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000174333645 207012792 /nfs/dbraw/zinc/01/27/92/207012792.db2.gz KQUWJWCZYRJYGS-NUJGCVRESA-N 2 2 333.476 1.593 10 0 EDAELP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000174333645 207012798 /nfs/dbraw/zinc/01/27/98/207012798.db2.gz KQUWJWCZYRJYGS-NUJGCVRESA-N 2 2 333.476 1.593 10 0 EDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175837823 207164433 /nfs/dbraw/zinc/16/44/33/207164433.db2.gz TXUNINOTAFLSDX-IBGZPJMESA-N 2 2 345.487 1.483 10 0 EDAELP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1N1CCOCC1 ZINC000177233902 207310584 /nfs/dbraw/zinc/31/05/84/207310584.db2.gz AEHPKSFICZUICE-RDJZCZTQSA-N 2 2 327.432 1.420 10 0 EDAELP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1N1CCOCC1 ZINC000177233902 207310587 /nfs/dbraw/zinc/31/05/87/207310587.db2.gz AEHPKSFICZUICE-RDJZCZTQSA-N 2 2 327.432 1.420 10 0 EDAELP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000170830098 289311738 /nfs/dbraw/zinc/31/17/38/289311738.db2.gz XZUBPPMZGPNSNI-MSOLQXFVSA-N 2 2 346.475 1.405 10 0 EDAELP CC(C)[C@@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863177 441294024 /nfs/dbraw/zinc/29/40/24/441294024.db2.gz RFJLYDLORXMOFJ-MRXNPFEDSA-N 2 2 335.496 1.440 10 0 EDAELP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863177 441294026 /nfs/dbraw/zinc/29/40/26/441294026.db2.gz RFJLYDLORXMOFJ-MRXNPFEDSA-N 2 2 335.496 1.440 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1CC ZINC000168090244 442223025 /nfs/dbraw/zinc/22/30/25/442223025.db2.gz OXRDXFNLKUKAEH-HKUYNNGSSA-N 2 2 345.487 1.833 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000172220293 442425342 /nfs/dbraw/zinc/42/53/42/442425342.db2.gz FPMVNENFHDIYAS-OAHLLOKOSA-N 2 2 344.459 1.914 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000172220293 442425344 /nfs/dbraw/zinc/42/53/44/442425344.db2.gz FPMVNENFHDIYAS-OAHLLOKOSA-N 2 2 344.459 1.914 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COC(C)C)C1 ZINC000248650797 442913155 /nfs/dbraw/zinc/91/31/55/442913155.db2.gz MHZKEGVZNKNNMN-HZPDHXFCSA-N 2 2 341.521 1.991 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COC(C)C)C1 ZINC000248650797 442913159 /nfs/dbraw/zinc/91/31/59/442913159.db2.gz MHZKEGVZNKNNMN-HZPDHXFCSA-N 2 2 341.521 1.991 10 0 EDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COC(C)C)C1 ZINC000248650797 442913163 /nfs/dbraw/zinc/91/31/63/442913163.db2.gz MHZKEGVZNKNNMN-HZPDHXFCSA-N 2 2 341.521 1.991 10 0 EDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COC(C)C)C1 ZINC000248650797 442913165 /nfs/dbraw/zinc/91/31/65/442913165.db2.gz MHZKEGVZNKNNMN-HZPDHXFCSA-N 2 2 341.521 1.991 10 0 EDAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000195053880 442979945 /nfs/dbraw/zinc/97/99/45/442979945.db2.gz OQNQWMQSWHHKLN-KRWDZBQOSA-N 2 2 345.491 1.329 10 0 EDAELP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000195053880 442979950 /nfs/dbraw/zinc/97/99/50/442979950.db2.gz OQNQWMQSWHHKLN-KRWDZBQOSA-N 2 2 345.491 1.329 10 0 EDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000389424257 447483031 /nfs/dbraw/zinc/48/30/31/447483031.db2.gz WIIAVULFONYRCV-ZIAGYGMSSA-N 2 2 343.265 1.873 10 0 EDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000389424257 447483036 /nfs/dbraw/zinc/48/30/36/447483036.db2.gz WIIAVULFONYRCV-ZIAGYGMSSA-N 2 2 343.265 1.873 10 0 EDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000184184475 528476503 /nfs/dbraw/zinc/47/65/03/528476503.db2.gz GLSQCWZHFPYKRI-LSDHHAIUSA-N 2 2 339.505 1.968 10 0 EDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000184184475 528476509 /nfs/dbraw/zinc/47/65/09/528476509.db2.gz GLSQCWZHFPYKRI-LSDHHAIUSA-N 2 2 339.505 1.968 10 0 EDAELP COc1ccc(Cl)c2c1CN(CC[NH+]1CCOCC1)[C@@H]2C[NH3+] ZINC000071684034 203103957 /nfs/dbraw/zinc/10/39/57/203103957.db2.gz IXQOZDIORJTOQQ-CQSZACIVSA-N 2 2 325.840 1.496 10 0 EDAELP C[NH+](C)[C@@H](CNc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1cccs1 ZINC000072418013 203218854 /nfs/dbraw/zinc/21/88/54/203218854.db2.gz KXGWULQHKQMINQ-ZDUSSCGKSA-N 3 2 332.477 1.523 10 0 EDAELP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281324 139012312 /nfs/dbraw/zinc/01/23/12/139012312.db2.gz ABMGHMUXUBSQGC-FUHWJXTLSA-N 2 2 348.491 1.377 10 0 EDAELP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281324 139012313 /nfs/dbraw/zinc/01/23/13/139012313.db2.gz ABMGHMUXUBSQGC-FUHWJXTLSA-N 2 2 348.491 1.377 10 0 EDAELP COCCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281324 139012314 /nfs/dbraw/zinc/01/23/14/139012314.db2.gz ABMGHMUXUBSQGC-FUHWJXTLSA-N 2 2 348.491 1.377 10 0 EDAELP COCCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281324 139012315 /nfs/dbraw/zinc/01/23/15/139012315.db2.gz ABMGHMUXUBSQGC-FUHWJXTLSA-N 2 2 348.491 1.377 10 0 EDAELP O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000127471789 205102497 /nfs/dbraw/zinc/10/24/97/205102497.db2.gz MWEVEPFUIRDPLW-HOTGVXAUSA-N 2 2 335.448 1.372 10 0 EDAELP O[C@H](COC1CCOCC1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000127471789 205102500 /nfs/dbraw/zinc/10/25/00/205102500.db2.gz MWEVEPFUIRDPLW-HOTGVXAUSA-N 2 2 335.448 1.372 10 0 EDAELP O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131574803 205294374 /nfs/dbraw/zinc/29/43/74/205294374.db2.gz JCPVCSPTDUOSTB-MOPGFXCFSA-N 2 2 334.460 1.218 10 0 EDAELP O[C@H](COCc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131574803 205294380 /nfs/dbraw/zinc/29/43/80/205294380.db2.gz JCPVCSPTDUOSTB-MOPGFXCFSA-N 2 2 334.460 1.218 10 0 EDAELP CCC[C@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000245712040 139084054 /nfs/dbraw/zinc/08/40/54/139084054.db2.gz TVRMFABCKWZETC-GOEBONIOSA-N 2 2 334.464 1.653 10 0 EDAELP C[C@@H](C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000248949200 139181351 /nfs/dbraw/zinc/18/13/51/139181351.db2.gz AXIMLODGXSPKPJ-HZSPNIEDSA-N 2 2 325.478 1.563 10 0 EDAELP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000262532193 139284654 /nfs/dbraw/zinc/28/46/54/139284654.db2.gz PRZCIFYMRZSKMU-CVEARBPZSA-N 2 2 346.456 1.436 10 0 EDAELP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000262532193 139284655 /nfs/dbraw/zinc/28/46/55/139284655.db2.gz PRZCIFYMRZSKMU-CVEARBPZSA-N 2 2 346.456 1.436 10 0 EDAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C12CCOCC2 ZINC000249000252 286284224 /nfs/dbraw/zinc/28/42/24/286284224.db2.gz MYPLBSCIYAUAFO-GVDBMIGSSA-N 2 2 326.481 1.519 10 0 EDAELP C[C@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[NH+]1CCOCC1 ZINC000046262689 441096672 /nfs/dbraw/zinc/09/66/72/441096672.db2.gz KMVSJYTZCKHCKW-NVXWUHKLSA-N 2 2 340.512 1.517 10 0 EDAELP C[C@H](C(=O)NC1CCCC1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105862998 441294778 /nfs/dbraw/zinc/29/47/78/441294778.db2.gz NTJFYTBJJJBNNP-MRXNPFEDSA-N 2 2 347.507 1.727 10 0 EDAELP C[C@H](C(=O)NC1CCCC1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105862998 441294781 /nfs/dbraw/zinc/29/47/81/441294781.db2.gz NTJFYTBJJJBNNP-MRXNPFEDSA-N 2 2 347.507 1.727 10 0 EDAELP CCOCC[NH+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000174734572 441962885 /nfs/dbraw/zinc/96/28/85/441962885.db2.gz MROUEDCHLROGAM-MRXNPFEDSA-N 2 2 333.480 1.871 10 0 EDAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899029 442387977 /nfs/dbraw/zinc/38/79/77/442387977.db2.gz IMZQRHRUPZHEKK-OAHLLOKOSA-N 2 2 327.432 1.834 10 0 EDAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171899029 442387979 /nfs/dbraw/zinc/38/79/79/442387979.db2.gz IMZQRHRUPZHEKK-OAHLLOKOSA-N 2 2 327.432 1.834 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000178336353 442425697 /nfs/dbraw/zinc/42/56/97/442425697.db2.gz QCWREKSNSNVOBD-HNNXBMFYSA-N 2 2 345.447 1.521 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000178336353 442425698 /nfs/dbraw/zinc/42/56/98/442425698.db2.gz QCWREKSNSNVOBD-HNNXBMFYSA-N 2 2 345.447 1.521 10 0 EDAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000180354195 442585401 /nfs/dbraw/zinc/58/54/01/442585401.db2.gz AIOLTXNCHMZVGS-SJORKVTESA-N 2 2 348.491 1.527 10 0 EDAELP C=Cn1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000193901743 442809140 /nfs/dbraw/zinc/80/91/40/442809140.db2.gz CGAGYXOBULCZEN-GOSISDBHSA-N 2 2 333.480 1.210 10 0 EDAELP C=Cn1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000193901743 442809144 /nfs/dbraw/zinc/80/91/44/442809144.db2.gz CGAGYXOBULCZEN-GOSISDBHSA-N 2 2 333.480 1.210 10 0 EDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000195265025 443002214 /nfs/dbraw/zinc/00/22/14/443002214.db2.gz HWUFHZFEIKBRQW-HNNXBMFYSA-N 2 2 336.505 1.731 10 0 EDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000195265025 443002218 /nfs/dbraw/zinc/00/22/18/443002218.db2.gz HWUFHZFEIKBRQW-HNNXBMFYSA-N 2 2 336.505 1.731 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000195265025 443002221 /nfs/dbraw/zinc/00/22/21/443002221.db2.gz HWUFHZFEIKBRQW-HNNXBMFYSA-N 2 2 336.505 1.731 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000195265025 443002224 /nfs/dbraw/zinc/00/22/24/443002224.db2.gz HWUFHZFEIKBRQW-HNNXBMFYSA-N 2 2 336.505 1.731 10 0 EDAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](c3nccs3)C2)CC1 ZINC000191490192 443302046 /nfs/dbraw/zinc/30/20/46/443302046.db2.gz NKZPDCJWYQYFKG-INIZCTEOSA-N 2 2 338.521 1.933 10 0 EDAELP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](c3nccs3)C2)CC1 ZINC000191490192 443302050 /nfs/dbraw/zinc/30/20/50/443302050.db2.gz NKZPDCJWYQYFKG-INIZCTEOSA-N 2 2 338.521 1.933 10 0 EDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178476357 232184867 /nfs/dbraw/zinc/18/48/67/232184867.db2.gz XLFQJZCYTQBTRM-OAHLLOKOSA-N 2 2 345.447 1.539 10 0 EDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178476357 232184875 /nfs/dbraw/zinc/18/48/75/232184875.db2.gz XLFQJZCYTQBTRM-OAHLLOKOSA-N 2 2 345.447 1.539 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000104791881 204120752 /nfs/dbraw/zinc/12/07/52/204120752.db2.gz CMJHGLWOAYKGHL-HNNXBMFYSA-N 2 2 329.404 1.002 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000104791881 204120756 /nfs/dbraw/zinc/12/07/56/204120756.db2.gz CMJHGLWOAYKGHL-HNNXBMFYSA-N 2 2 329.404 1.002 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000104797496 204122795 /nfs/dbraw/zinc/12/27/95/204122795.db2.gz VBWFGGIPXDOBEL-SFHVURJKSA-N 2 2 346.475 1.235 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000104797496 204122798 /nfs/dbraw/zinc/12/27/98/204122798.db2.gz VBWFGGIPXDOBEL-SFHVURJKSA-N 2 2 346.475 1.235 10 0 EDAELP C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000104797496 204122802 /nfs/dbraw/zinc/12/28/02/204122802.db2.gz VBWFGGIPXDOBEL-SFHVURJKSA-N 2 2 346.475 1.235 10 0 EDAELP C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000104797496 204122806 /nfs/dbraw/zinc/12/28/06/204122806.db2.gz VBWFGGIPXDOBEL-SFHVURJKSA-N 2 2 346.475 1.235 10 0 EDAELP O=C1[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1CC(F)(F)F ZINC000111212905 204342127 /nfs/dbraw/zinc/34/21/27/204342127.db2.gz FCIHNGKCYGUNPS-CHWSQXEVSA-N 2 2 342.365 1.979 10 0 EDAELP O=C1[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1CC(F)(F)F ZINC000111212905 204342131 /nfs/dbraw/zinc/34/21/31/204342131.db2.gz FCIHNGKCYGUNPS-CHWSQXEVSA-N 2 2 342.365 1.979 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245469129 139076218 /nfs/dbraw/zinc/07/62/18/139076218.db2.gz UTEOCYPFFMIHSS-QZTJIDSGSA-N 2 2 331.460 1.488 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245469129 139076219 /nfs/dbraw/zinc/07/62/19/139076219.db2.gz UTEOCYPFFMIHSS-QZTJIDSGSA-N 2 2 331.460 1.488 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000245469129 139076220 /nfs/dbraw/zinc/07/62/20/139076220.db2.gz UTEOCYPFFMIHSS-QZTJIDSGSA-N 2 2 331.460 1.488 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000245469129 139076221 /nfs/dbraw/zinc/07/62/21/139076221.db2.gz UTEOCYPFFMIHSS-QZTJIDSGSA-N 2 2 331.460 1.488 10 0 EDAELP C[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000248551276 139167006 /nfs/dbraw/zinc/16/70/06/139167006.db2.gz IOICRLRHCSIDOU-QFBILLFUSA-N 2 2 335.467 1.910 10 0 EDAELP C[C@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000248551276 139167007 /nfs/dbraw/zinc/16/70/07/139167007.db2.gz IOICRLRHCSIDOU-QFBILLFUSA-N 2 2 335.467 1.910 10 0 EDAELP C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N(C)C ZINC000189889417 272970210 /nfs/dbraw/zinc/97/02/10/272970210.db2.gz GGTHUOVUQZRZRJ-UONOGXRCSA-N 2 2 343.431 1.116 10 0 EDAELP CCN1CC[NH+](CCCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106458073 276195158 /nfs/dbraw/zinc/19/51/58/276195158.db2.gz NEBMLWCNWXMLNZ-IBGZPJMESA-N 2 2 346.519 1.303 10 0 EDAELP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863275 441294118 /nfs/dbraw/zinc/29/41/18/441294118.db2.gz AUMJPPBKYXYVMH-OAHLLOKOSA-N 2 2 335.496 1.583 10 0 EDAELP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863275 441294119 /nfs/dbraw/zinc/29/41/19/441294119.db2.gz AUMJPPBKYXYVMH-OAHLLOKOSA-N 2 2 335.496 1.583 10 0 EDAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000112911240 441565108 /nfs/dbraw/zinc/56/51/08/441565108.db2.gz FHTPQGPUDCRLBY-LJQANCHMSA-N 2 2 346.519 1.255 10 0 EDAELP Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c(C)n1 ZINC000186972314 442638769 /nfs/dbraw/zinc/63/87/69/442638769.db2.gz MXFWKCSBSVFTPZ-FQEVSTJZSA-N 2 2 346.519 1.925 10 0 EDAELP Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c(C)n1 ZINC000186972314 442638771 /nfs/dbraw/zinc/63/87/71/442638771.db2.gz MXFWKCSBSVFTPZ-FQEVSTJZSA-N 2 2 346.519 1.925 10 0 EDAELP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662741702 453468158 /nfs/dbraw/zinc/46/81/58/453468158.db2.gz GIIAVNXEIAAWNA-YTQUADARSA-N 2 2 344.503 1.307 10 0 EDAELP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662741702 453468168 /nfs/dbraw/zinc/46/81/68/453468168.db2.gz GIIAVNXEIAAWNA-YTQUADARSA-N 2 2 344.503 1.307 10 0 EDAELP CC(C)[NH+](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC000173782735 528903355 /nfs/dbraw/zinc/90/33/55/528903355.db2.gz XWOYKEPXPOAANU-MRXNPFEDSA-N 2 2 326.485 1.221 10 0 EDAELP CCCCCNC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915995 535047923 /nfs/dbraw/zinc/04/79/23/535047923.db2.gz VEXWFFQUITWIEQ-UHFFFAOYSA-N 2 2 335.496 1.586 10 0 EDAELP CCCCCNC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915995 535047925 /nfs/dbraw/zinc/04/79/25/535047925.db2.gz VEXWFFQUITWIEQ-UHFFFAOYSA-N 2 2 335.496 1.586 10 0 EDAELP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249894304 535542712 /nfs/dbraw/zinc/54/27/12/535542712.db2.gz REQJOEFWIIGMTC-HOTGVXAUSA-N 2 2 334.464 1.747 10 0 EDAELP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249894304 535542716 /nfs/dbraw/zinc/54/27/16/535542716.db2.gz REQJOEFWIIGMTC-HOTGVXAUSA-N 2 2 334.464 1.747 10 0 EDAELP Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000862493662 596335989 /nfs/dbraw/zinc/33/59/89/596335989.db2.gz DICQDLZOXQEWGC-ZWKOTPCHSA-N 2 2 339.399 1.542 10 0 EDAELP C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000183183486 540136256 /nfs/dbraw/zinc/13/62/56/540136256.db2.gz ZKCSGXKFNSQKOC-HRCADAONSA-N 2 2 332.448 1.276 10 0 EDAELP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1)CC[NH+](C)CC2 ZINC000072409769 203217796 /nfs/dbraw/zinc/21/77/96/203217796.db2.gz SMXOIDZIYMDNTD-OAHLLOKOSA-N 3 2 333.480 1.265 10 0 EDAELP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1)CC[NH+](C)CC2 ZINC000072409769 203217800 /nfs/dbraw/zinc/21/78/00/203217800.db2.gz SMXOIDZIYMDNTD-OAHLLOKOSA-N 3 2 333.480 1.265 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000111229476 204343693 /nfs/dbraw/zinc/34/36/93/204343693.db2.gz MAASGXSKEFSPDZ-MRXNPFEDSA-N 2 2 327.432 1.794 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000111229476 204343697 /nfs/dbraw/zinc/34/36/97/204343697.db2.gz MAASGXSKEFSPDZ-MRXNPFEDSA-N 2 2 327.432 1.794 10 0 EDAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515854 139018997 /nfs/dbraw/zinc/01/89/97/139018997.db2.gz XYQVEOVFYXGGRW-CHWSQXEVSA-N 2 2 331.420 1.192 10 0 EDAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515854 139018998 /nfs/dbraw/zinc/01/89/98/139018998.db2.gz XYQVEOVFYXGGRW-CHWSQXEVSA-N 2 2 331.420 1.192 10 0 EDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246396207 139106855 /nfs/dbraw/zinc/10/68/55/139106855.db2.gz JFDUORAJMSXBBX-HRCADAONSA-N 2 2 328.501 1.371 10 0 EDAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246423623 139108039 /nfs/dbraw/zinc/10/80/39/139108039.db2.gz MHZYMYMTYBBYNA-OAGGEKHMSA-N 2 2 340.512 1.373 10 0 EDAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246423623 139108040 /nfs/dbraw/zinc/10/80/40/139108040.db2.gz MHZYMYMTYBBYNA-OAGGEKHMSA-N 2 2 340.512 1.373 10 0 EDAELP C[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000249615898 139196612 /nfs/dbraw/zinc/19/66/12/139196612.db2.gz PHXIDHDNXXGPEX-AQDBYXPISA-N 2 2 335.492 1.571 10 0 EDAELP C[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000249615898 139196613 /nfs/dbraw/zinc/19/66/13/139196613.db2.gz PHXIDHDNXXGPEX-AQDBYXPISA-N 2 2 335.492 1.571 10 0 EDAELP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261660772 139215228 /nfs/dbraw/zinc/21/52/28/139215228.db2.gz IEQRCLJTBHCKEP-CKEIUWERSA-N 2 2 347.459 1.390 10 0 EDAELP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261660772 139215229 /nfs/dbraw/zinc/21/52/29/139215229.db2.gz IEQRCLJTBHCKEP-CKEIUWERSA-N 2 2 347.459 1.390 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1C ZINC000177782584 207395767 /nfs/dbraw/zinc/39/57/67/207395767.db2.gz BWZUZFAXRAEPLO-CQSZACIVSA-N 2 2 331.420 1.196 10 0 EDAELP COCC[N@H+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1C ZINC000177782584 207395772 /nfs/dbraw/zinc/39/57/72/207395772.db2.gz BWZUZFAXRAEPLO-CQSZACIVSA-N 2 2 331.420 1.196 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000117285375 221044236 /nfs/dbraw/zinc/04/42/36/221044236.db2.gz QKRCEINLSKWLBH-FUHWJXTLSA-N 2 2 333.476 1.338 10 0 EDAELP COCC[N@H+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000117285375 221044237 /nfs/dbraw/zinc/04/42/37/221044237.db2.gz QKRCEINLSKWLBH-FUHWJXTLSA-N 2 2 333.476 1.338 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000117294732 221047053 /nfs/dbraw/zinc/04/70/53/221047053.db2.gz YCGUICOMMNADQD-HNNXBMFYSA-N 2 2 328.416 1.665 10 0 EDAELP COCC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000117294732 221047055 /nfs/dbraw/zinc/04/70/55/221047055.db2.gz YCGUICOMMNADQD-HNNXBMFYSA-N 2 2 328.416 1.665 10 0 EDAELP C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000073652513 287262984 /nfs/dbraw/zinc/26/29/84/287262984.db2.gz LUWOLMRCJBPAOG-HZPDHXFCSA-N 2 2 326.485 1.223 10 0 EDAELP C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000073652513 287262986 /nfs/dbraw/zinc/26/29/86/287262986.db2.gz LUWOLMRCJBPAOG-HZPDHXFCSA-N 2 2 326.485 1.223 10 0 EDAELP C[C@@H](CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000078541236 287294053 /nfs/dbraw/zinc/29/40/53/287294053.db2.gz GRSJRMOMSOHTPQ-FUHWJXTLSA-N 2 2 348.491 1.179 10 0 EDAELP [NH3+][C@H](Cc1ccc(Br)cc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000168547759 226216340 /nfs/dbraw/zinc/21/63/40/226216340.db2.gz SBZIJFMIXFHPSI-ZIAGYGMSSA-N 2 2 344.684 1.972 10 0 EDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000104778566 441206446 /nfs/dbraw/zinc/20/64/46/441206446.db2.gz HPFAUSROHXMVQZ-QZTJIDSGSA-N 2 2 348.491 1.699 10 0 EDAELP COCCC[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000105789428 441270337 /nfs/dbraw/zinc/27/03/37/441270337.db2.gz QUOZWNGUEZUUGZ-MRXNPFEDSA-N 2 2 349.479 1.351 10 0 EDAELP COCCC[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000105789428 441270339 /nfs/dbraw/zinc/27/03/39/441270339.db2.gz QUOZWNGUEZUUGZ-MRXNPFEDSA-N 2 2 349.479 1.351 10 0 EDAELP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863374 441294298 /nfs/dbraw/zinc/29/42/98/441294298.db2.gz BOJZDTFLTNHGNF-MRXNPFEDSA-N 2 2 349.523 1.973 10 0 EDAELP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863374 441294302 /nfs/dbraw/zinc/29/43/02/441294302.db2.gz BOJZDTFLTNHGNF-MRXNPFEDSA-N 2 2 349.523 1.973 10 0 EDAELP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000175192150 442014183 /nfs/dbraw/zinc/01/41/83/442014183.db2.gz XIYGXEAKEZHQFV-MRXNPFEDSA-N 2 2 335.496 1.535 10 0 EDAELP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000175192150 442014195 /nfs/dbraw/zinc/01/41/95/442014195.db2.gz XIYGXEAKEZHQFV-MRXNPFEDSA-N 2 2 335.496 1.535 10 0 EDAELP C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000079689747 442077783 /nfs/dbraw/zinc/07/77/83/442077783.db2.gz RNHSGAWPVZKKEW-HZPDHXFCSA-N 2 2 326.485 1.128 10 0 EDAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177471512 442345584 /nfs/dbraw/zinc/34/55/84/442345584.db2.gz WWJQWUVMFJCUED-GDBMZVCRSA-N 2 2 330.436 1.898 10 0 EDAELP Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC000183090100 442878286 /nfs/dbraw/zinc/87/82/86/442878286.db2.gz DWQOPHDIXZHUGX-JKSUJKDBSA-N 2 2 337.464 1.712 10 0 EDAELP Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC000183090100 442878292 /nfs/dbraw/zinc/87/82/92/442878292.db2.gz DWQOPHDIXZHUGX-JKSUJKDBSA-N 2 2 337.464 1.712 10 0 EDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000248657406 442913710 /nfs/dbraw/zinc/91/37/10/442913710.db2.gz SJUGTTUTYYSQLR-JKSUJKDBSA-N 2 2 349.504 1.463 10 0 EDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000248657406 442913713 /nfs/dbraw/zinc/91/37/13/442913713.db2.gz SJUGTTUTYYSQLR-JKSUJKDBSA-N 2 2 349.504 1.463 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000248657406 442913716 /nfs/dbraw/zinc/91/37/16/442913716.db2.gz SJUGTTUTYYSQLR-JKSUJKDBSA-N 2 2 349.504 1.463 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000248657406 442913719 /nfs/dbraw/zinc/91/37/19/442913719.db2.gz SJUGTTUTYYSQLR-JKSUJKDBSA-N 2 2 349.504 1.463 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000184718497 443065404 /nfs/dbraw/zinc/06/54/04/443065404.db2.gz VENQTLZWTSIOAO-SFHVURJKSA-N 2 2 345.487 1.736 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000184718497 443065409 /nfs/dbraw/zinc/06/54/09/443065409.db2.gz VENQTLZWTSIOAO-SFHVURJKSA-N 2 2 345.487 1.736 10 0 EDAELP Cn1cncc1[C@H]1[C@H](CNc2[nH+]cnc3c2cnn3C)CCC[N@@H+]1C ZINC000583618204 448447317 /nfs/dbraw/zinc/44/73/17/448447317.db2.gz NUVQWDFTSAGEQW-SWLSCSKDSA-N 2 2 340.435 1.592 10 0 EDAELP Cn1cncc1[C@H]1[C@H](CNc2[nH+]cnc3c2cnn3C)CCC[N@H+]1C ZINC000583618204 448447322 /nfs/dbraw/zinc/44/73/22/448447322.db2.gz NUVQWDFTSAGEQW-SWLSCSKDSA-N 2 2 340.435 1.592 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616595574 450454801 /nfs/dbraw/zinc/45/48/01/450454801.db2.gz NLJDBEHOAIEWQG-CQSZACIVSA-N 2 2 336.436 1.952 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616595574 450454803 /nfs/dbraw/zinc/45/48/03/450454803.db2.gz NLJDBEHOAIEWQG-CQSZACIVSA-N 2 2 336.436 1.952 10 0 EDAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000173897819 533934122 /nfs/dbraw/zinc/93/41/22/533934122.db2.gz QDMAMLJNMYWKBX-DLBZAZTESA-N 2 2 338.496 1.225 10 0 EDAELP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173802795 534674399 /nfs/dbraw/zinc/67/43/99/534674399.db2.gz PIPOABXWXDUODK-KSSFIOAISA-N 2 2 342.443 1.524 10 0 EDAELP CC(C)[NH+](CCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC000174360269 528881601 /nfs/dbraw/zinc/88/16/01/528881601.db2.gz ZZKQHZOOQLIPJZ-KRWDZBQOSA-N 2 2 340.512 1.611 10 0 EDAELP C[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000896741091 591598347 /nfs/dbraw/zinc/59/83/47/591598347.db2.gz JDOXVCVZGFLNBC-KDOFPFPSSA-N 2 2 340.427 1.770 10 0 EDAELP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cccc3c2OCCCO3)C[C@H]1[NH3+] ZINC000864352571 596865380 /nfs/dbraw/zinc/86/53/80/596865380.db2.gz ZBLBZENLTSDFAN-ZIAGYGMSSA-N 2 2 342.399 1.148 10 0 EDAELP Cc1nc2c(c(N3CC[NH+](Cc4ccco4)CC3)n1)CC[NH2+]CC2 ZINC000072478753 216256415 /nfs/dbraw/zinc/25/64/15/216256415.db2.gz RPBVEYONQKMNDG-UHFFFAOYSA-N 2 2 327.432 1.388 10 0 EDAELP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000131771852 223271182 /nfs/dbraw/zinc/27/11/82/223271182.db2.gz FLRBLVPGFBJUBM-HOTGVXAUSA-N 2 2 327.388 1.074 10 0 EDAELP Cn1cc(N2CC[C@H]([N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000131771852 223271184 /nfs/dbraw/zinc/27/11/84/223271184.db2.gz FLRBLVPGFBJUBM-HOTGVXAUSA-N 2 2 327.388 1.074 10 0 EDAELP CCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000245928823 139090221 /nfs/dbraw/zinc/09/02/21/139090221.db2.gz HZAGGPIEWQPCOO-MELADBBJSA-N 2 2 325.478 1.754 10 0 EDAELP CCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000245928823 139090222 /nfs/dbraw/zinc/09/02/22/139090222.db2.gz HZAGGPIEWQPCOO-MELADBBJSA-N 2 2 325.478 1.754 10 0 EDAELP O[C@@H](COCc1ccco1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249875744 139199344 /nfs/dbraw/zinc/19/93/44/139199344.db2.gz LQJQTCVXBXPODW-JKSUJKDBSA-N 2 2 331.416 1.986 10 0 EDAELP O[C@@H](COCc1ccco1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249875744 139199345 /nfs/dbraw/zinc/19/93/45/139199345.db2.gz LQJQTCVXBXPODW-JKSUJKDBSA-N 2 2 331.416 1.986 10 0 EDAELP CCc1[nH+]c2ccccc2n1Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263319121 139335622 /nfs/dbraw/zinc/33/56/22/139335622.db2.gz ZYHOXESSOUTXTQ-AWEZNQCLSA-N 2 2 326.404 1.606 10 0 EDAELP Cc1cc(Br)cc(CC[NH3+])c1OCC[NH+]1CCOCC1 ZINC000167057975 226177920 /nfs/dbraw/zinc/17/79/20/226177920.db2.gz RRAPGGZBSZMCSK-UHFFFAOYSA-N 2 2 343.265 1.970 10 0 EDAELP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1c(F)cccc1F ZINC000115842923 276776914 /nfs/dbraw/zinc/77/69/14/276776914.db2.gz QFIGAXOHPSUQLD-WFASDCNBSA-N 2 2 340.418 1.913 10 0 EDAELP CCC(C)(C)NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863220 441295009 /nfs/dbraw/zinc/29/50/09/441295009.db2.gz GEVCUSBAJAPDOS-UHFFFAOYSA-N 2 2 335.496 1.584 10 0 EDAELP CCC(C)(C)NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863220 441295011 /nfs/dbraw/zinc/29/50/11/441295011.db2.gz GEVCUSBAJAPDOS-UHFFFAOYSA-N 2 2 335.496 1.584 10 0 EDAELP Cc1ncc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)s1 ZINC000105846048 441292373 /nfs/dbraw/zinc/29/23/73/441292373.db2.gz VIAWQIJRNCUJSB-INIZCTEOSA-N 2 2 338.521 1.678 10 0 EDAELP Cc1ncc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)s1 ZINC000105846048 441292374 /nfs/dbraw/zinc/29/23/74/441292374.db2.gz VIAWQIJRNCUJSB-INIZCTEOSA-N 2 2 338.521 1.678 10 0 EDAELP CCCCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863367 441293665 /nfs/dbraw/zinc/29/36/65/441293665.db2.gz LLYXNMXDPKZEMS-MRXNPFEDSA-N 2 2 335.496 1.584 10 0 EDAELP CCCCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863367 441293669 /nfs/dbraw/zinc/29/36/69/441293669.db2.gz LLYXNMXDPKZEMS-MRXNPFEDSA-N 2 2 335.496 1.584 10 0 EDAELP Cc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n(Cc2cccc(C)c2)n1 ZINC000055036000 441612572 /nfs/dbraw/zinc/61/25/72/441612572.db2.gz IPJDLXJTDMTFFT-INIZCTEOSA-N 2 2 338.415 1.780 10 0 EDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000113586263 441615964 /nfs/dbraw/zinc/61/59/64/441615964.db2.gz JIPKBLIYOCGZHS-GOEBONIOSA-N 2 2 327.432 1.755 10 0 EDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000113586263 441615966 /nfs/dbraw/zinc/61/59/66/441615966.db2.gz JIPKBLIYOCGZHS-GOEBONIOSA-N 2 2 327.432 1.755 10 0 EDAELP CCC[C@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000094039976 441902894 /nfs/dbraw/zinc/90/28/94/441902894.db2.gz MUBJZJQRSVAGFU-QGZVFWFLSA-N 2 2 346.475 1.743 10 0 EDAELP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000125850205 442054191 /nfs/dbraw/zinc/05/41/91/442054191.db2.gz DLXRZWIMDVMSEN-RTBURBONSA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000125850205 442054195 /nfs/dbraw/zinc/05/41/95/442054195.db2.gz DLXRZWIMDVMSEN-RTBURBONSA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125850205 442054199 /nfs/dbraw/zinc/05/41/99/442054199.db2.gz DLXRZWIMDVMSEN-RTBURBONSA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000125850205 442054202 /nfs/dbraw/zinc/05/42/02/442054202.db2.gz DLXRZWIMDVMSEN-RTBURBONSA-N 2 2 343.471 1.584 10 0 EDAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000175472754 442069528 /nfs/dbraw/zinc/06/95/28/442069528.db2.gz PSKYTDJPSLUQES-HNNXBMFYSA-N 2 2 337.468 1.185 10 0 EDAELP C[NH+](C)CCCC1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000162718057 442117693 /nfs/dbraw/zinc/11/76/93/442117693.db2.gz HBUOLMROPJKJGX-KRWDZBQOSA-N 2 2 347.507 1.996 10 0 EDAELP C[NH+](C)CCCC1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000162718057 442117697 /nfs/dbraw/zinc/11/76/97/442117697.db2.gz HBUOLMROPJKJGX-KRWDZBQOSA-N 2 2 347.507 1.996 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)CC1 ZINC000171621005 442363968 /nfs/dbraw/zinc/36/39/68/442363968.db2.gz AWCVDPBCYZRAMB-IRXDYDNUSA-N 2 2 333.480 1.381 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc(C)cn3)C2)CC1 ZINC000171621005 442363969 /nfs/dbraw/zinc/36/39/69/442363969.db2.gz AWCVDPBCYZRAMB-IRXDYDNUSA-N 2 2 333.480 1.381 10 0 EDAELP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000178471795 442436872 /nfs/dbraw/zinc/43/68/72/442436872.db2.gz XKNZCNMGSSANSF-OAHLLOKOSA-N 2 2 347.463 1.832 10 0 EDAELP CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000178471795 442436874 /nfs/dbraw/zinc/43/68/74/442436874.db2.gz XKNZCNMGSSANSF-OAHLLOKOSA-N 2 2 347.463 1.832 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000179217437 442599129 /nfs/dbraw/zinc/59/91/29/442599129.db2.gz KRFOEPIXOWEUKE-MRXNPFEDSA-N 2 2 340.512 1.517 10 0 EDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000179217437 442599132 /nfs/dbraw/zinc/59/91/32/442599132.db2.gz KRFOEPIXOWEUKE-MRXNPFEDSA-N 2 2 340.512 1.517 10 0 EDAELP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000179217437 442599136 /nfs/dbraw/zinc/59/91/36/442599136.db2.gz KRFOEPIXOWEUKE-MRXNPFEDSA-N 2 2 340.512 1.517 10 0 EDAELP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000179217437 442599141 /nfs/dbraw/zinc/59/91/41/442599141.db2.gz KRFOEPIXOWEUKE-MRXNPFEDSA-N 2 2 340.512 1.517 10 0 EDAELP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672928 442646813 /nfs/dbraw/zinc/64/68/13/442646813.db2.gz HMKZQVGEFDCRQU-CHWSQXEVSA-N 2 2 329.404 1.757 10 0 EDAELP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000180761114 442657163 /nfs/dbraw/zinc/65/71/63/442657163.db2.gz ZKZCHJLQOUCVHH-HUUCEWRRSA-N 2 2 337.468 1.068 10 0 EDAELP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000180761114 442657167 /nfs/dbraw/zinc/65/71/67/442657167.db2.gz ZKZCHJLQOUCVHH-HUUCEWRRSA-N 2 2 337.468 1.068 10 0 EDAELP C[C@@H](CN1CCOCC1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000180614684 442634919 /nfs/dbraw/zinc/63/49/19/442634919.db2.gz PAALFJCTMOWSDC-KRWDZBQOSA-N 2 2 335.496 1.000 10 0 EDAELP C[C@@H](CN1CCOCC1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000180614684 442634922 /nfs/dbraw/zinc/63/49/22/442634922.db2.gz PAALFJCTMOWSDC-KRWDZBQOSA-N 2 2 335.496 1.000 10 0 EDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000246714227 442806400 /nfs/dbraw/zinc/80/64/00/442806400.db2.gz KXDBUILGVLUQCA-ULQDDVLXSA-N 2 2 345.487 1.347 10 0 EDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000246714227 442806404 /nfs/dbraw/zinc/80/64/04/442806404.db2.gz KXDBUILGVLUQCA-ULQDDVLXSA-N 2 2 345.487 1.347 10 0 EDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000246714227 442806408 /nfs/dbraw/zinc/80/64/08/442806408.db2.gz KXDBUILGVLUQCA-ULQDDVLXSA-N 2 2 345.487 1.347 10 0 EDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000246714227 442806410 /nfs/dbraw/zinc/80/64/10/442806410.db2.gz KXDBUILGVLUQCA-ULQDDVLXSA-N 2 2 345.487 1.347 10 0 EDAELP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248656404 442914215 /nfs/dbraw/zinc/91/42/15/442914215.db2.gz RHTALKJSKXYMNP-AEFFLSMTSA-N 2 2 332.492 1.996 10 0 EDAELP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248656404 442914218 /nfs/dbraw/zinc/91/42/18/442914218.db2.gz RHTALKJSKXYMNP-AEFFLSMTSA-N 2 2 332.492 1.996 10 0 EDAELP CC(C)CNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248656404 442914220 /nfs/dbraw/zinc/91/42/20/442914220.db2.gz RHTALKJSKXYMNP-AEFFLSMTSA-N 2 2 332.492 1.996 10 0 EDAELP CC(C)CNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248656404 442914225 /nfs/dbraw/zinc/91/42/25/442914225.db2.gz RHTALKJSKXYMNP-AEFFLSMTSA-N 2 2 332.492 1.996 10 0 EDAELP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631843397 450813084 /nfs/dbraw/zinc/81/30/84/450813084.db2.gz NDQQUIKVMIHKGI-MNOVXSKESA-N 2 2 326.238 1.914 10 0 EDAELP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631843397 450813087 /nfs/dbraw/zinc/81/30/87/450813087.db2.gz NDQQUIKVMIHKGI-MNOVXSKESA-N 2 2 326.238 1.914 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000662741189 453466353 /nfs/dbraw/zinc/46/63/53/453466353.db2.gz DIXSCJHJWBKCGZ-FGTMMUONSA-N 2 2 330.476 1.046 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000662741189 453466359 /nfs/dbraw/zinc/46/63/59/453466359.db2.gz DIXSCJHJWBKCGZ-FGTMMUONSA-N 2 2 330.476 1.046 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000662740986 453467865 /nfs/dbraw/zinc/46/78/65/453467865.db2.gz BMHZJBGTHDXBNI-MOPGFXCFSA-N 2 2 344.503 1.309 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000662740986 453467875 /nfs/dbraw/zinc/46/78/75/453467875.db2.gz BMHZJBGTHDXBNI-MOPGFXCFSA-N 2 2 344.503 1.309 10 0 EDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1([NH3+])Cc3ccccc3C1)C2 ZINC000168406782 486538002 /nfs/dbraw/zinc/53/80/02/486538002.db2.gz JKKUPVOGCVPPBJ-UHFFFAOYSA-N 2 2 338.455 1.925 10 0 EDAELP CC[NH2+][C@@H](Cc1ccc(Br)cn1)[C@@H]1C[N@H+](C)CCN1C ZINC000167917994 528390943 /nfs/dbraw/zinc/39/09/43/528390943.db2.gz KWAKFEFCLQWMGQ-GJZGRUSLSA-N 2 2 341.297 1.611 10 0 EDAELP CC[NH2+][C@@H](Cc1ccc(Br)cn1)[C@@H]1C[N@@H+](C)CCN1C ZINC000167917994 528390946 /nfs/dbraw/zinc/39/09/46/528390946.db2.gz KWAKFEFCLQWMGQ-GJZGRUSLSA-N 2 2 341.297 1.611 10 0 EDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000174548306 529304009 /nfs/dbraw/zinc/30/40/09/529304009.db2.gz PYGBUAMYIJGUGI-JKSUJKDBSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000174548306 529304011 /nfs/dbraw/zinc/30/40/11/529304011.db2.gz PYGBUAMYIJGUGI-JKSUJKDBSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000174548306 529304012 /nfs/dbraw/zinc/30/40/12/529304012.db2.gz PYGBUAMYIJGUGI-JKSUJKDBSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000174548306 529304013 /nfs/dbraw/zinc/30/40/13/529304013.db2.gz PYGBUAMYIJGUGI-JKSUJKDBSA-N 2 2 338.496 1.365 10 0 EDAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398948542 578318367 /nfs/dbraw/zinc/31/83/67/578318367.db2.gz CLFZMVBSHBUQQF-HKUYNNGSSA-N 3 2 331.504 1.943 10 0 EDAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000398948542 578318368 /nfs/dbraw/zinc/31/83/68/578318368.db2.gz CLFZMVBSHBUQQF-HKUYNNGSSA-N 3 2 331.504 1.943 10 0 EDAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000066404596 138177458 /nfs/dbraw/zinc/17/74/58/138177458.db2.gz YUYPZAABEDJIBD-QZTJIDSGSA-N 2 2 345.487 1.748 10 0 EDAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)CC1 ZINC000093203882 138292618 /nfs/dbraw/zinc/29/26/18/138292618.db2.gz ORYVJIVTGZSOJJ-QGZVFWFLSA-N 2 2 347.434 1.637 10 0 EDAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)CC1 ZINC000093203882 138292619 /nfs/dbraw/zinc/29/26/19/138292619.db2.gz ORYVJIVTGZSOJJ-QGZVFWFLSA-N 2 2 347.434 1.637 10 0 EDAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516194 139018961 /nfs/dbraw/zinc/01/89/61/139018961.db2.gz DTBWCDSEMGEANJ-HNNXBMFYSA-N 2 2 347.463 1.750 10 0 EDAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516194 139018962 /nfs/dbraw/zinc/01/89/62/139018962.db2.gz DTBWCDSEMGEANJ-HNNXBMFYSA-N 2 2 347.463 1.750 10 0 EDAELP CCCS(=O)(=O)CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516331 139018752 /nfs/dbraw/zinc/01/87/52/139018752.db2.gz RUGDEPRAJQCHKE-HNNXBMFYSA-N 2 2 325.478 1.949 10 0 EDAELP CCCS(=O)(=O)CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516331 139018753 /nfs/dbraw/zinc/01/87/53/139018753.db2.gz RUGDEPRAJQCHKE-HNNXBMFYSA-N 2 2 325.478 1.949 10 0 EDAELP Cc1ccc([C@@H](CNC(=O)NCC[NH+](C)C)[NH+]2CCOCC2)s1 ZINC000133813419 205380567 /nfs/dbraw/zinc/38/05/67/205380567.db2.gz HBDNCXQXMYQLEX-CQSZACIVSA-N 2 2 340.493 1.291 10 0 EDAELP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544435 217312691 /nfs/dbraw/zinc/31/26/91/217312691.db2.gz KUYBOYYHNVJXNW-YJBOKZPZSA-N 2 2 349.450 1.627 10 0 EDAELP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544435 217312694 /nfs/dbraw/zinc/31/26/94/217312694.db2.gz KUYBOYYHNVJXNW-YJBOKZPZSA-N 2 2 349.450 1.627 10 0 EDAELP C[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247120661 139136360 /nfs/dbraw/zinc/13/63/60/139136360.db2.gz JREJQXOHAYEHOF-BRWVUGGUSA-N 2 2 347.507 1.716 10 0 EDAELP C[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247120661 139136361 /nfs/dbraw/zinc/13/63/61/139136361.db2.gz JREJQXOHAYEHOF-BRWVUGGUSA-N 2 2 347.507 1.716 10 0 EDAELP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261705214 139219158 /nfs/dbraw/zinc/21/91/58/139219158.db2.gz IIAKGBNMQDOKCC-INIZCTEOSA-N 2 2 333.476 1.858 10 0 EDAELP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261705214 139219159 /nfs/dbraw/zinc/21/91/59/139219159.db2.gz IIAKGBNMQDOKCC-INIZCTEOSA-N 2 2 333.476 1.858 10 0 EDAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261731407 139221389 /nfs/dbraw/zinc/22/13/89/139221389.db2.gz JXWMIMQMANRKQQ-BZUAXINKSA-N 2 2 325.497 1.757 10 0 EDAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261731407 139221390 /nfs/dbraw/zinc/22/13/90/139221390.db2.gz JXWMIMQMANRKQQ-BZUAXINKSA-N 2 2 325.497 1.757 10 0 EDAELP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000262389762 139275546 /nfs/dbraw/zinc/27/55/46/139275546.db2.gz OBPYDIXMCOLNHZ-IAGOWNOFSA-N 2 2 345.487 1.591 10 0 EDAELP CN1CC[NH2+]C[C@H]1c1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000263306719 139334795 /nfs/dbraw/zinc/33/47/95/139334795.db2.gz XYVBJYBOZQGJSV-INIZCTEOSA-N 2 2 343.431 1.145 10 0 EDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000176300133 285235271 /nfs/dbraw/zinc/23/52/71/285235271.db2.gz LZBBTYAUZZCEGH-OAHLLOKOSA-N 2 2 326.485 1.223 10 0 EDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000176300133 285235272 /nfs/dbraw/zinc/23/52/72/285235272.db2.gz LZBBTYAUZZCEGH-OAHLLOKOSA-N 2 2 326.485 1.223 10 0 EDAELP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000176300133 285235273 /nfs/dbraw/zinc/23/52/73/285235273.db2.gz LZBBTYAUZZCEGH-OAHLLOKOSA-N 2 2 326.485 1.223 10 0 EDAELP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000176300133 285235274 /nfs/dbraw/zinc/23/52/74/285235274.db2.gz LZBBTYAUZZCEGH-OAHLLOKOSA-N 2 2 326.485 1.223 10 0 EDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCOCC3CC3)CC2)C1 ZINC000119179207 221260261 /nfs/dbraw/zinc/26/02/61/221260261.db2.gz HULFZEPMECPQNU-GOSISDBHSA-N 2 2 325.497 1.140 10 0 EDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCOCC3CC3)CC2)C1 ZINC000119179207 221260264 /nfs/dbraw/zinc/26/02/64/221260264.db2.gz HULFZEPMECPQNU-GOSISDBHSA-N 2 2 325.497 1.140 10 0 EDAELP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000172759346 279042415 /nfs/dbraw/zinc/04/24/15/279042415.db2.gz GKBASPKBJWSNJZ-ZWKOTPCHSA-N 2 2 331.460 1.613 10 0 EDAELP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000172759346 279042416 /nfs/dbraw/zinc/04/24/16/279042416.db2.gz GKBASPKBJWSNJZ-ZWKOTPCHSA-N 2 2 331.460 1.613 10 0 EDAELP CC(C)[N@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCC[C@@H]1C(N)=O ZINC000069779815 279353175 /nfs/dbraw/zinc/35/31/75/279353175.db2.gz KPDHYRNGYRXOLQ-MRXNPFEDSA-N 2 2 332.448 1.415 10 0 EDAELP CC(C)[N@@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCC[C@@H]1C(N)=O ZINC000069779815 279353178 /nfs/dbraw/zinc/35/31/78/279353178.db2.gz KPDHYRNGYRXOLQ-MRXNPFEDSA-N 2 2 332.448 1.415 10 0 EDAELP CC(C)[NH+](C)CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000069779815 279353180 /nfs/dbraw/zinc/35/31/80/279353180.db2.gz KPDHYRNGYRXOLQ-MRXNPFEDSA-N 2 2 332.448 1.415 10 0 EDAELP CC(C)[NH+](C)CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000069779815 279353183 /nfs/dbraw/zinc/35/31/83/279353183.db2.gz KPDHYRNGYRXOLQ-MRXNPFEDSA-N 2 2 332.448 1.415 10 0 EDAELP C[NH+](C)C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171005368 442298140 /nfs/dbraw/zinc/29/81/40/442298140.db2.gz JJOIWBCOQLUHIX-KRWDZBQOSA-N 2 2 348.491 1.699 10 0 EDAELP C[NH+](C)C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171005368 442298142 /nfs/dbraw/zinc/29/81/42/442298142.db2.gz JJOIWBCOQLUHIX-KRWDZBQOSA-N 2 2 348.491 1.699 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000177486041 442348814 /nfs/dbraw/zinc/34/88/14/442348814.db2.gz HBDYPWICHDEMBY-KRWDZBQOSA-N 2 2 338.496 1.413 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000177486041 442348819 /nfs/dbraw/zinc/34/88/19/442348819.db2.gz HBDYPWICHDEMBY-KRWDZBQOSA-N 2 2 338.496 1.413 10 0 EDAELP C[NH+]1CCN(c2cc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)ccn2)CC1 ZINC000171801473 442382596 /nfs/dbraw/zinc/38/25/96/442382596.db2.gz PJKNTKFYABNJIS-KRWDZBQOSA-N 2 2 343.475 1.144 10 0 EDAELP C[NH+]1CCN(c2cc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)ccn2)CC1 ZINC000171801473 442382598 /nfs/dbraw/zinc/38/25/98/442382598.db2.gz PJKNTKFYABNJIS-KRWDZBQOSA-N 2 2 343.475 1.144 10 0 EDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CCC[NH+](C)C)nc[nH+]1 ZINC000186331491 442513806 /nfs/dbraw/zinc/51/38/06/442513806.db2.gz KZNDBOHRGGYKOQ-AWEZNQCLSA-N 2 2 349.483 1.080 10 0 EDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CCC[NH+](C)C)[nH+]cn1 ZINC000186331491 442513808 /nfs/dbraw/zinc/51/38/08/442513808.db2.gz KZNDBOHRGGYKOQ-AWEZNQCLSA-N 2 2 349.483 1.080 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCCc3c2cnn3C)nc[nH+]1 ZINC000246395282 442779112 /nfs/dbraw/zinc/77/91/12/442779112.db2.gz LFFDGZQPZNUKJE-HIFRSBDPSA-N 2 2 341.463 1.888 10 0 EDAELP C[N@H+](C[C@@H](O)CC(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182449 442892942 /nfs/dbraw/zinc/89/29/42/442892942.db2.gz WEHHGZRILMIZOV-AWEZNQCLSA-N 2 2 334.386 1.593 10 0 EDAELP C[N@@H+](C[C@@H](O)CC(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182449 442892947 /nfs/dbraw/zinc/89/29/47/442892947.db2.gz WEHHGZRILMIZOV-AWEZNQCLSA-N 2 2 334.386 1.593 10 0 EDAELP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280543 443004352 /nfs/dbraw/zinc/00/43/52/443004352.db2.gz NSQDNFQOYJDKEU-SFHVURJKSA-N 2 2 330.476 1.704 10 0 EDAELP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280543 443004354 /nfs/dbraw/zinc/00/43/54/443004354.db2.gz NSQDNFQOYJDKEU-SFHVURJKSA-N 2 2 330.476 1.704 10 0 EDAELP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195280543 443004355 /nfs/dbraw/zinc/00/43/55/443004355.db2.gz NSQDNFQOYJDKEU-SFHVURJKSA-N 2 2 330.476 1.704 10 0 EDAELP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195280543 443004357 /nfs/dbraw/zinc/00/43/57/443004357.db2.gz NSQDNFQOYJDKEU-SFHVURJKSA-N 2 2 330.476 1.704 10 0 EDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000195280301 443004703 /nfs/dbraw/zinc/00/47/03/443004703.db2.gz VLKPNANCODWKKF-KRWDZBQOSA-N 2 2 346.475 1.131 10 0 EDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000195280301 443004708 /nfs/dbraw/zinc/00/47/08/443004708.db2.gz VLKPNANCODWKKF-KRWDZBQOSA-N 2 2 346.475 1.131 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000195280301 443004711 /nfs/dbraw/zinc/00/47/11/443004711.db2.gz VLKPNANCODWKKF-KRWDZBQOSA-N 2 2 346.475 1.131 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000195280301 443004715 /nfs/dbraw/zinc/00/47/15/443004715.db2.gz VLKPNANCODWKKF-KRWDZBQOSA-N 2 2 346.475 1.131 10 0 EDAELP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000644121632 453061880 /nfs/dbraw/zinc/06/18/80/453061880.db2.gz UJTHMKOBXILDSD-CABCVRRESA-N 2 2 329.404 1.469 10 0 EDAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C1([NH3+])CCCC1 ZINC000178779505 486233117 /nfs/dbraw/zinc/23/31/17/486233117.db2.gz XHGPFFDXLBINNP-AWEZNQCLSA-N 2 2 337.489 1.851 10 0 EDAELP O[C@H](C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000173674616 231002165 /nfs/dbraw/zinc/00/21/65/231002165.db2.gz YNDGNWYAOLFSIC-LJQANCHMSA-N 2 2 333.476 1.060 10 0 EDAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+](CC)CC)CC2)cn1 ZINC000105834470 138302106 /nfs/dbraw/zinc/30/21/06/138302106.db2.gz SDHLIAPNBBZYON-UHFFFAOYSA-N 2 2 335.496 1.669 10 0 EDAELP CCCn1cc(C[N@H+]2CCCN(C(=O)C[NH+](CC)CC)CC2)cn1 ZINC000105834470 138302107 /nfs/dbraw/zinc/30/21/07/138302107.db2.gz SDHLIAPNBBZYON-UHFFFAOYSA-N 2 2 335.496 1.669 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)[nH+]1 ZINC000247291505 139143777 /nfs/dbraw/zinc/14/37/77/139143777.db2.gz FBQKZUFEQMODCH-JKSUJKDBSA-N 2 2 332.448 1.419 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)[nH+]1 ZINC000247291505 139143778 /nfs/dbraw/zinc/14/37/78/139143778.db2.gz FBQKZUFEQMODCH-JKSUJKDBSA-N 2 2 332.448 1.419 10 0 EDAELP CC1(C)C[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC[C@H]1[NH3+] ZINC000261759313 139223739 /nfs/dbraw/zinc/22/37/39/139223739.db2.gz QXZZSGVTGXDFSG-DLBZAZTESA-N 2 2 349.450 1.785 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC[C@H]1[NH3+] ZINC000261759313 139223740 /nfs/dbraw/zinc/22/37/40/139223740.db2.gz QXZZSGVTGXDFSG-DLBZAZTESA-N 2 2 349.450 1.785 10 0 EDAELP C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000129155471 533176861 /nfs/dbraw/zinc/17/68/61/533176861.db2.gz GGCWQEYMNRVBOW-RDTXWAMCSA-N 2 2 345.447 1.545 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000117285659 221042835 /nfs/dbraw/zinc/04/28/35/221042835.db2.gz TXLOFZCNVMTWCO-HKUYNNGSSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000117285659 221042836 /nfs/dbraw/zinc/04/28/36/221042836.db2.gz TXLOFZCNVMTWCO-HKUYNNGSSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000117285659 221042838 /nfs/dbraw/zinc/04/28/38/221042838.db2.gz TXLOFZCNVMTWCO-HKUYNNGSSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000117285659 221042840 /nfs/dbraw/zinc/04/28/40/221042840.db2.gz TXLOFZCNVMTWCO-HKUYNNGSSA-N 2 2 345.487 1.830 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000105068772 441230243 /nfs/dbraw/zinc/23/02/43/441230243.db2.gz SIFUFHYTSHOMDT-ROUUACIJSA-N 2 2 346.475 1.453 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000105068772 441230244 /nfs/dbraw/zinc/23/02/44/441230244.db2.gz SIFUFHYTSHOMDT-ROUUACIJSA-N 2 2 346.475 1.453 10 0 EDAELP CCc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000105083286 441230732 /nfs/dbraw/zinc/23/07/32/441230732.db2.gz CRWWXNVPYXSAFA-MSOLQXFVSA-N 2 2 348.491 1.482 10 0 EDAELP CCc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000105083286 441230737 /nfs/dbraw/zinc/23/07/37/441230737.db2.gz CRWWXNVPYXSAFA-MSOLQXFVSA-N 2 2 348.491 1.482 10 0 EDAELP CCN(CC)C(=O)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797810 441272469 /nfs/dbraw/zinc/27/24/69/441272469.db2.gz UCAUJKMUYTVVFQ-UONOGXRCSA-N 2 2 334.468 1.334 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC000105897116 441312251 /nfs/dbraw/zinc/31/22/51/441312251.db2.gz OKBCUHUOOLPLKI-CQSZACIVSA-N 2 2 330.436 1.763 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC000105897116 441312253 /nfs/dbraw/zinc/31/22/53/441312253.db2.gz OKBCUHUOOLPLKI-CQSZACIVSA-N 2 2 330.436 1.763 10 0 EDAELP C[NH+](C)Cc1ccc2nc(-n3cc[nH+]c3)nc(N3CCOCC3)c2n1 ZINC000139108236 441806138 /nfs/dbraw/zinc/80/61/38/441806138.db2.gz WJKGBGUOHBSXAS-UHFFFAOYSA-N 2 2 339.403 1.109 10 0 EDAELP Cc1ccc(N2CCC(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)CC2)[nH+]c1 ZINC000116790631 441846772 /nfs/dbraw/zinc/84/67/72/441846772.db2.gz ASKPYWCCVAMRDO-KRWDZBQOSA-N 2 2 346.475 1.395 10 0 EDAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)cn2)CC1 ZINC000093438293 441886919 /nfs/dbraw/zinc/88/69/19/441886919.db2.gz HNDKMVWHIMMKEG-KRWDZBQOSA-N 2 2 341.463 1.679 10 0 EDAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H]3c3cn[nH]c3)cn2)CC1 ZINC000093438293 441886926 /nfs/dbraw/zinc/88/69/26/441886926.db2.gz HNDKMVWHIMMKEG-KRWDZBQOSA-N 2 2 341.463 1.679 10 0 EDAELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000162577690 442104916 /nfs/dbraw/zinc/10/49/16/442104916.db2.gz HPZDPACUCRQRRH-LJQANCHMSA-N 2 2 338.455 1.973 10 0 EDAELP CCn1nccc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121046955 442169969 /nfs/dbraw/zinc/16/99/69/442169969.db2.gz NHXGUMYDUZVSBC-GOSISDBHSA-N 2 2 335.496 1.130 10 0 EDAELP CCn1nccc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121046955 442169972 /nfs/dbraw/zinc/16/99/72/442169972.db2.gz NHXGUMYDUZVSBC-GOSISDBHSA-N 2 2 335.496 1.130 10 0 EDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000177349611 442331551 /nfs/dbraw/zinc/33/15/51/442331551.db2.gz BVRZNJUISKKRIA-MRXNPFEDSA-N 2 2 342.447 1.893 10 0 EDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000177349611 442331554 /nfs/dbraw/zinc/33/15/54/442331554.db2.gz BVRZNJUISKKRIA-MRXNPFEDSA-N 2 2 342.447 1.893 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1CC ZINC000172113109 442410402 /nfs/dbraw/zinc/41/04/02/442410402.db2.gz JOGIWRRNTYVJCU-MRXNPFEDSA-N 2 2 337.468 1.416 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1CC ZINC000172113109 442410404 /nfs/dbraw/zinc/41/04/04/442410404.db2.gz JOGIWRRNTYVJCU-MRXNPFEDSA-N 2 2 337.468 1.416 10 0 EDAELP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000158166688 442651417 /nfs/dbraw/zinc/65/14/17/442651417.db2.gz UBALARPMWWUGEB-QGZVFWFLSA-N 2 2 348.491 1.527 10 0 EDAELP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000158166688 442651419 /nfs/dbraw/zinc/65/14/19/442651419.db2.gz UBALARPMWWUGEB-QGZVFWFLSA-N 2 2 348.491 1.527 10 0 EDAELP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000158166688 442651422 /nfs/dbraw/zinc/65/14/22/442651422.db2.gz UBALARPMWWUGEB-QGZVFWFLSA-N 2 2 348.491 1.527 10 0 EDAELP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000158166688 442651427 /nfs/dbraw/zinc/65/14/27/442651427.db2.gz UBALARPMWWUGEB-QGZVFWFLSA-N 2 2 348.491 1.527 10 0 EDAELP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291084 443005561 /nfs/dbraw/zinc/00/55/61/443005561.db2.gz FTSGCISJZOTFKN-GDBMZVCRSA-N 2 2 347.463 1.070 10 0 EDAELP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291084 443005563 /nfs/dbraw/zinc/00/55/63/443005563.db2.gz FTSGCISJZOTFKN-GDBMZVCRSA-N 2 2 347.463 1.070 10 0 EDAELP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195291084 443005564 /nfs/dbraw/zinc/00/55/64/443005564.db2.gz FTSGCISJZOTFKN-GDBMZVCRSA-N 2 2 347.463 1.070 10 0 EDAELP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195291084 443005568 /nfs/dbraw/zinc/00/55/68/443005568.db2.gz FTSGCISJZOTFKN-GDBMZVCRSA-N 2 2 347.463 1.070 10 0 EDAELP Cc1nc(N2CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC2)cc[nH+]1 ZINC000184938583 443101995 /nfs/dbraw/zinc/10/19/95/443101995.db2.gz DWRQZKINCRECJH-MRXNPFEDSA-N 2 2 348.495 1.593 10 0 EDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC000184403772 528477718 /nfs/dbraw/zinc/47/77/18/528477718.db2.gz BHELXUCLQFHTJY-GOSISDBHSA-N 2 2 333.476 1.865 10 0 EDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC000184403772 528477727 /nfs/dbraw/zinc/47/77/27/528477727.db2.gz BHELXUCLQFHTJY-GOSISDBHSA-N 2 2 333.476 1.865 10 0 EDAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171813818 528993206 /nfs/dbraw/zinc/99/32/06/528993206.db2.gz LDEVELXNDAECOF-MOPGFXCFSA-N 2 2 345.487 1.739 10 0 EDAELP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171813818 528993212 /nfs/dbraw/zinc/99/32/12/528993212.db2.gz LDEVELXNDAECOF-MOPGFXCFSA-N 2 2 345.487 1.739 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000117277324 595605446 /nfs/dbraw/zinc/60/54/46/595605446.db2.gz RLGBEKARTVECBH-OAHLLOKOSA-N 2 2 343.431 1.450 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000117277324 595605447 /nfs/dbraw/zinc/60/54/47/595605447.db2.gz RLGBEKARTVECBH-OAHLLOKOSA-N 2 2 343.431 1.450 10 0 EDAELP C[C@@H](C(=O)N1CCCCC1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915887 138302664 /nfs/dbraw/zinc/30/26/64/138302664.db2.gz XRJUJJIORRGXJQ-KRWDZBQOSA-N 2 2 347.507 1.680 10 0 EDAELP C[C@@H](C(=O)N1CCCCC1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915887 138302665 /nfs/dbraw/zinc/30/26/65/138302665.db2.gz XRJUJJIORRGXJQ-KRWDZBQOSA-N 2 2 347.507 1.680 10 0 EDAELP CCn1cc(C2CC[NH+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)CC2)cn1 ZINC000195500233 139018389 /nfs/dbraw/zinc/01/83/89/139018389.db2.gz JILOLSLLRKMHLV-INIZCTEOSA-N 2 2 347.507 1.635 10 0 EDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000246268738 139101784 /nfs/dbraw/zinc/10/17/84/139101784.db2.gz AERDUIRXVJAEHM-SJLPKXTDSA-N 2 2 345.491 1.638 10 0 EDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000246268738 139101785 /nfs/dbraw/zinc/10/17/85/139101785.db2.gz AERDUIRXVJAEHM-SJLPKXTDSA-N 2 2 345.491 1.638 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C ZINC000247159270 139138199 /nfs/dbraw/zinc/13/81/99/139138199.db2.gz QKRCEINLSKWLBH-AEFFLSMTSA-N 2 2 333.476 1.338 10 0 EDAELP COCC[N@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C ZINC000247159270 139138200 /nfs/dbraw/zinc/13/82/00/139138200.db2.gz QKRCEINLSKWLBH-AEFFLSMTSA-N 2 2 333.476 1.338 10 0 EDAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247657837 139153581 /nfs/dbraw/zinc/15/35/81/139153581.db2.gz YVOUOWSCUFKEDA-CVEARBPZSA-N 2 2 340.512 1.517 10 0 EDAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247657837 139153582 /nfs/dbraw/zinc/15/35/82/139153582.db2.gz YVOUOWSCUFKEDA-CVEARBPZSA-N 2 2 340.512 1.517 10 0 EDAELP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000247657837 139153583 /nfs/dbraw/zinc/15/35/83/139153583.db2.gz YVOUOWSCUFKEDA-CVEARBPZSA-N 2 2 340.512 1.517 10 0 EDAELP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000247657837 139153584 /nfs/dbraw/zinc/15/35/84/139153584.db2.gz YVOUOWSCUFKEDA-CVEARBPZSA-N 2 2 340.512 1.517 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000261678399 139216787 /nfs/dbraw/zinc/21/67/87/139216787.db2.gz JUAGSYIRKJUTPT-OAHLLOKOSA-N 2 2 339.867 1.894 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000261678399 139216788 /nfs/dbraw/zinc/21/67/88/139216788.db2.gz JUAGSYIRKJUTPT-OAHLLOKOSA-N 2 2 339.867 1.894 10 0 EDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153005170 224043782 /nfs/dbraw/zinc/04/37/82/224043782.db2.gz VSINVCVWLVDMSE-ZWKOTPCHSA-N 2 2 338.455 1.949 10 0 EDAELP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000371812361 156117684 /nfs/dbraw/zinc/11/76/84/156117684.db2.gz FLGCRMKZFSMWEO-SFHVURJKSA-N 2 2 340.427 1.478 10 0 EDAELP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000121121731 278205148 /nfs/dbraw/zinc/20/51/48/278205148.db2.gz FMADTQFIFANKOR-MJGOQNOKSA-N 2 2 345.487 1.878 10 0 EDAELP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000121121731 278205150 /nfs/dbraw/zinc/20/51/50/278205150.db2.gz FMADTQFIFANKOR-MJGOQNOKSA-N 2 2 345.487 1.878 10 0 EDAELP CC1CCC([NH+]2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000115676900 441768516 /nfs/dbraw/zinc/76/85/16/441768516.db2.gz QTSPSSAKHUAAAE-JCYILVPMSA-N 2 2 338.496 1.223 10 0 EDAELP CC1CCC([NH+]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000115676900 441768519 /nfs/dbraw/zinc/76/85/19/441768519.db2.gz QTSPSSAKHUAAAE-JCYILVPMSA-N 2 2 338.496 1.223 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCCN(C(C)C)C2=O)nc[nH+]1 ZINC000175016480 441995177 /nfs/dbraw/zinc/99/51/77/441995177.db2.gz ZRGNHHPVBQAQBE-HUUCEWRRSA-N 2 2 346.479 1.476 10 0 EDAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151334946 442044748 /nfs/dbraw/zinc/04/47/48/442044748.db2.gz ZRAGVJNFGKJDSM-HOJAQTOUSA-N 3 2 346.519 1.728 10 0 EDAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151334946 442044753 /nfs/dbraw/zinc/04/47/53/442044753.db2.gz ZRAGVJNFGKJDSM-HOJAQTOUSA-N 3 2 346.519 1.728 10 0 EDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)[NH+]1CCSCC1)C2 ZINC000152537231 442223534 /nfs/dbraw/zinc/22/35/34/442223534.db2.gz CVRVFQNDLUTBAQ-ZDUSSCGKSA-N 2 2 336.505 1.866 10 0 EDAELP C[C@H]([NH3+])CCC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000193312801 442731622 /nfs/dbraw/zinc/73/16/22/442731622.db2.gz CAORWCPPEWHRFW-UONOGXRCSA-N 2 2 325.478 1.707 10 0 EDAELP C[C@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000246401862 442778667 /nfs/dbraw/zinc/77/86/67/442778667.db2.gz DKJKHUMBBIVBCY-IKGGRYGDSA-N 2 2 345.491 1.870 10 0 EDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000246406812 442779312 /nfs/dbraw/zinc/77/93/12/442779312.db2.gz LRTPGLQHPLYTRO-NVXWUHKLSA-N 3 2 339.528 1.040 10 0 EDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000246406812 442779314 /nfs/dbraw/zinc/77/93/14/442779314.db2.gz LRTPGLQHPLYTRO-NVXWUHKLSA-N 3 2 339.528 1.040 10 0 EDAELP CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247019429 442828976 /nfs/dbraw/zinc/82/89/76/442828976.db2.gz WSGBBNQIAIFMDD-DOTOQJQBSA-N 2 2 342.443 1.790 10 0 EDAELP CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C[C@H](C)O ZINC000247019429 442828980 /nfs/dbraw/zinc/82/89/80/442828980.db2.gz WSGBBNQIAIFMDD-DOTOQJQBSA-N 2 2 342.443 1.790 10 0 EDAELP CC(C)[N@H+]1C[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)C1 ZINC000131502802 529101102 /nfs/dbraw/zinc/10/11/02/529101102.db2.gz AERDUIRXVJAEHM-WMZOPIPTSA-N 2 2 345.491 1.638 10 0 EDAELP CC(C)[N@@H+]1C[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)C1 ZINC000131502802 529101109 /nfs/dbraw/zinc/10/11/09/529101109.db2.gz AERDUIRXVJAEHM-WMZOPIPTSA-N 2 2 345.491 1.638 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000261904612 535352587 /nfs/dbraw/zinc/35/25/87/535352587.db2.gz WWWGEJOSYQWTCT-SJLPKXTDSA-N 2 2 344.503 1.688 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000261904612 535352589 /nfs/dbraw/zinc/35/25/89/535352589.db2.gz WWWGEJOSYQWTCT-SJLPKXTDSA-N 2 2 344.503 1.688 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3ccnn3C)CC2)CC1 ZINC000195503271 535634575 /nfs/dbraw/zinc/63/45/75/535634575.db2.gz FRLXWVAGTITYRV-HNNXBMFYSA-N 2 2 333.480 1.152 10 0 EDAELP CC[C@H]1CC(=O)N(C[NH+]2CCN(c3ccc(C[NH+](C)C)cn3)CC2)C1 ZINC000119343403 596521360 /nfs/dbraw/zinc/52/13/60/596521360.db2.gz UAPGZYJEYZRHEP-INIZCTEOSA-N 2 2 345.491 1.481 10 0 EDAELP C[NH+](C)CC[NH2+]CCn1cnc2ccc(Br)cc2c1=O ZINC000053530053 214187808 /nfs/dbraw/zinc/18/78/08/214187808.db2.gz MGLUPAWFSQBLGL-UHFFFAOYSA-N 2 2 339.237 1.310 10 0 EDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178081554 232075726 /nfs/dbraw/zinc/07/57/26/232075726.db2.gz FVIYYMMPNJEBTO-MOPGFXCFSA-N 2 2 345.487 1.340 10 0 EDAELP C[N@H+](CCO)Cc1c(-c2ccc3c(c2)OCO3)[nH+]c2ccc(N)cn21 ZINC000036273252 213080488 /nfs/dbraw/zinc/08/04/88/213080488.db2.gz YBOHCOLXQRURCJ-UHFFFAOYSA-N 2 2 340.383 1.736 10 0 EDAELP C[N@@H+](CCO)Cc1c(-c2ccc3c(c2)OCO3)[nH+]c2ccc(N)cn21 ZINC000036273252 213080492 /nfs/dbraw/zinc/08/04/92/213080492.db2.gz YBOHCOLXQRURCJ-UHFFFAOYSA-N 2 2 340.383 1.736 10 0 EDAELP CCC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)[NH+](C)C ZINC000134949655 283473949 /nfs/dbraw/zinc/47/39/49/283473949.db2.gz SDQASIUJVCRAMI-ZWKOTPCHSA-N 2 2 333.476 1.906 10 0 EDAELP C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111606411 220169443 /nfs/dbraw/zinc/16/94/43/220169443.db2.gz VCDZXYBZIAHPCQ-MAUKXSAKSA-N 2 2 348.466 1.499 10 0 EDAELP C[C@H](CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)N1CC[NH+](C)CC1 ZINC000112079673 220239632 /nfs/dbraw/zinc/23/96/32/220239632.db2.gz FXNVGQLATCBIRN-HZPDHXFCSA-N 2 2 332.496 1.761 10 0 EDAELP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246176806 139097709 /nfs/dbraw/zinc/09/77/09/139097709.db2.gz UFONXYPEVLIJRI-OLZOCXBDSA-N 2 2 342.451 1.410 10 0 EDAELP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246176806 139097710 /nfs/dbraw/zinc/09/77/10/139097710.db2.gz UFONXYPEVLIJRI-OLZOCXBDSA-N 2 2 342.451 1.410 10 0 EDAELP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)[NH+]1CCOCC1)CC2 ZINC000246391132 139106785 /nfs/dbraw/zinc/10/67/85/139106785.db2.gz RAHMSDIVUIXAFV-BBWFWOEESA-N 2 2 338.496 1.364 10 0 EDAELP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)[NH+]1CCOCC1)CC2 ZINC000246391132 139106786 /nfs/dbraw/zinc/10/67/86/139106786.db2.gz RAHMSDIVUIXAFV-BBWFWOEESA-N 2 2 338.496 1.364 10 0 EDAELP Cc1cccc2[nH+]c(CCc3nc([C@H]4C[NH2+]CCN4C)no3)[nH]c21 ZINC000263297824 139334097 /nfs/dbraw/zinc/33/40/97/139334097.db2.gz WPMXMMASBCVOBO-CYBMUJFWSA-N 2 2 326.404 1.616 10 0 EDAELP Cc1cccc2[nH]c(CCc3nc([C@H]4C[NH2+]CCN4C)no3)[nH+]c21 ZINC000263297824 139334098 /nfs/dbraw/zinc/33/40/98/139334098.db2.gz WPMXMMASBCVOBO-CYBMUJFWSA-N 2 2 326.404 1.616 10 0 EDAELP Cc1cc(Br)cc(CC[NH3+])c1OC[C@H]1C[N@H+](C)CCO1 ZINC000167061738 226178614 /nfs/dbraw/zinc/17/86/14/226178614.db2.gz BTTKZFZEMDIROV-CQSZACIVSA-N 2 2 343.265 1.968 10 0 EDAELP Cc1cc(Br)cc(CC[NH3+])c1OC[C@H]1C[N@@H+](C)CCO1 ZINC000167061738 226178617 /nfs/dbraw/zinc/17/86/17/226178617.db2.gz BTTKZFZEMDIROV-CQSZACIVSA-N 2 2 343.265 1.968 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000104784327 441208291 /nfs/dbraw/zinc/20/82/91/441208291.db2.gz WIPLUFMPUPZWKO-INIZCTEOSA-N 2 2 347.463 1.202 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000104784327 441208294 /nfs/dbraw/zinc/20/82/94/441208294.db2.gz WIPLUFMPUPZWKO-INIZCTEOSA-N 2 2 347.463 1.202 10 0 EDAELP CCCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797739 441272698 /nfs/dbraw/zinc/27/26/98/441272698.db2.gz URGUVNNHAHSBHN-GJZGRUSLSA-N 2 2 348.495 1.772 10 0 EDAELP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000112911241 441565623 /nfs/dbraw/zinc/56/56/23/441565623.db2.gz FHTPQGPUDCRLBY-IBGZPJMESA-N 2 2 346.519 1.255 10 0 EDAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000150729974 441938505 /nfs/dbraw/zinc/93/85/05/441938505.db2.gz LLGHIVRNOZHLHV-BPQIPLTHSA-N 2 2 346.475 1.279 10 0 EDAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C[N@H+]1Cc1ccccc1 ZINC000150729974 441938510 /nfs/dbraw/zinc/93/85/10/441938510.db2.gz LLGHIVRNOZHLHV-BPQIPLTHSA-N 2 2 346.475 1.279 10 0 EDAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000150729974 441938515 /nfs/dbraw/zinc/93/85/15/441938515.db2.gz LLGHIVRNOZHLHV-BPQIPLTHSA-N 2 2 346.475 1.279 10 0 EDAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000150729974 441938520 /nfs/dbraw/zinc/93/85/20/441938520.db2.gz LLGHIVRNOZHLHV-BPQIPLTHSA-N 2 2 346.475 1.279 10 0 EDAELP C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176433018 442221057 /nfs/dbraw/zinc/22/10/57/442221057.db2.gz GWGSJVHYHMUUAO-PBHICJAKSA-N 2 2 343.431 1.563 10 0 EDAELP C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176433018 442221061 /nfs/dbraw/zinc/22/10/61/442221061.db2.gz GWGSJVHYHMUUAO-PBHICJAKSA-N 2 2 343.431 1.563 10 0 EDAELP C[NH+](C)C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171005369 442298150 /nfs/dbraw/zinc/29/81/50/442298150.db2.gz JJOIWBCOQLUHIX-QGZVFWFLSA-N 2 2 348.491 1.699 10 0 EDAELP C[NH+](C)C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171005369 442298151 /nfs/dbraw/zinc/29/81/51/442298151.db2.gz JJOIWBCOQLUHIX-QGZVFWFLSA-N 2 2 348.491 1.699 10 0 EDAELP COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915238 443027851 /nfs/dbraw/zinc/02/78/51/443027851.db2.gz GCLQJKPBNSGLEE-CHWSQXEVSA-N 2 2 330.388 1.201 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616599486 450454543 /nfs/dbraw/zinc/45/45/43/450454543.db2.gz ZBZDQWAIGNQSML-AWEZNQCLSA-N 2 2 336.436 1.604 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616599486 450454545 /nfs/dbraw/zinc/45/45/45/450454545.db2.gz ZBZDQWAIGNQSML-AWEZNQCLSA-N 2 2 336.436 1.604 10 0 EDAELP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173914993 528963167 /nfs/dbraw/zinc/96/31/67/528963167.db2.gz OJSWMHAHTAAEEG-KRWDZBQOSA-N 2 2 338.496 1.225 10 0 EDAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2c2ccco2)C1 ZINC000246790953 535118331 /nfs/dbraw/zinc/11/83/31/535118331.db2.gz AJAUBQJSXMYRPV-SJORKVTESA-N 2 2 349.475 1.890 10 0 EDAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2c2ccco2)C1 ZINC000246790953 535118337 /nfs/dbraw/zinc/11/83/37/535118337.db2.gz AJAUBQJSXMYRPV-SJORKVTESA-N 2 2 349.475 1.890 10 0 EDAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2ccco2)C1 ZINC000246790953 535118342 /nfs/dbraw/zinc/11/83/42/535118342.db2.gz AJAUBQJSXMYRPV-SJORKVTESA-N 2 2 349.475 1.890 10 0 EDAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]2c2ccco2)C1 ZINC000246790953 535118347 /nfs/dbraw/zinc/11/83/47/535118347.db2.gz AJAUBQJSXMYRPV-SJORKVTESA-N 2 2 349.475 1.890 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1C ZINC000247212039 535600302 /nfs/dbraw/zinc/60/03/02/535600302.db2.gz UQWMKLWENDQHJJ-NCOADZHNSA-N 2 2 325.497 1.817 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1C ZINC000247212039 535600305 /nfs/dbraw/zinc/60/03/05/535600305.db2.gz UQWMKLWENDQHJJ-NCOADZHNSA-N 2 2 325.497 1.817 10 0 EDAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000246488405 536133543 /nfs/dbraw/zinc/13/35/43/536133543.db2.gz SECFDGSIUMKADF-HZPDHXFCSA-N 2 2 338.427 1.058 10 0 EDAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000246488405 536133547 /nfs/dbraw/zinc/13/35/47/536133547.db2.gz SECFDGSIUMKADF-HZPDHXFCSA-N 2 2 338.427 1.058 10 0 EDAELP CCC(CC)[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000173300728 282221201 /nfs/dbraw/zinc/22/12/01/282221201.db2.gz HXJSWLCYQIFQOD-MSOLQXFVSA-N 2 2 337.508 1.820 10 0 EDAELP CCC(CC)[C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000173300728 282221203 /nfs/dbraw/zinc/22/12/03/282221203.db2.gz HXJSWLCYQIFQOD-MSOLQXFVSA-N 2 2 337.508 1.820 10 0 EDAELP C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000066142930 215017196 /nfs/dbraw/zinc/01/71/96/215017196.db2.gz LNXLTQLNBNEFOE-CYBMUJFWSA-N 2 2 325.840 1.600 10 0 EDAELP NC(=O)c1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000685940759 539578293 /nfs/dbraw/zinc/57/82/93/539578293.db2.gz UEJPWTRMXHQXRN-QGZVFWFLSA-N 2 2 339.443 1.882 10 0 EDAELP NC(=O)c1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000685940759 539578296 /nfs/dbraw/zinc/57/82/96/539578296.db2.gz UEJPWTRMXHQXRN-QGZVFWFLSA-N 2 2 339.443 1.882 10 0 EDAELP C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915842 138302565 /nfs/dbraw/zinc/30/25/65/138302565.db2.gz DYCBKOJOBBFSPL-QGZVFWFLSA-N 2 2 347.507 1.680 10 0 EDAELP C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915842 138302566 /nfs/dbraw/zinc/30/25/66/138302566.db2.gz DYCBKOJOBBFSPL-QGZVFWFLSA-N 2 2 347.507 1.680 10 0 EDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000178886802 138747308 /nfs/dbraw/zinc/74/73/08/138747308.db2.gz TXLYXJZVNVRFAZ-HZPDHXFCSA-N 2 2 333.480 1.199 10 0 EDAELP CCC[C@@H]([NH3+])C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000236935235 139035588 /nfs/dbraw/zinc/03/55/88/139035588.db2.gz AOYWQDCGDPQKPG-CYBMUJFWSA-N 2 2 337.468 1.924 10 0 EDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245514772 139077635 /nfs/dbraw/zinc/07/76/35/139077635.db2.gz PQUSIUMUVHWCHJ-OWCLPIDISA-N 2 2 331.464 1.688 10 0 EDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245514772 139077636 /nfs/dbraw/zinc/07/76/36/139077636.db2.gz PQUSIUMUVHWCHJ-OWCLPIDISA-N 2 2 331.464 1.688 10 0 EDAELP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246514217 139111571 /nfs/dbraw/zinc/11/15/71/139111571.db2.gz UYYANTWTOBFJCB-CVEARBPZSA-N 2 2 326.485 1.271 10 0 EDAELP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246514217 139111572 /nfs/dbraw/zinc/11/15/72/139111572.db2.gz UYYANTWTOBFJCB-CVEARBPZSA-N 2 2 326.485 1.271 10 0 EDAELP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246514217 139111573 /nfs/dbraw/zinc/11/15/73/139111573.db2.gz UYYANTWTOBFJCB-CVEARBPZSA-N 2 2 326.485 1.271 10 0 EDAELP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246514217 139111574 /nfs/dbraw/zinc/11/15/74/139111574.db2.gz UYYANTWTOBFJCB-CVEARBPZSA-N 2 2 326.485 1.271 10 0 EDAELP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)n1C ZINC000012306355 211341648 /nfs/dbraw/zinc/34/16/48/211341648.db2.gz DISQUULHETZDRT-MRXNPFEDSA-N 2 2 330.407 1.801 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000117275576 221042480 /nfs/dbraw/zinc/04/24/80/221042480.db2.gz BMFVAAVKNZDQPO-PKOBYXMFSA-N 2 2 347.503 1.729 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000117275576 221042483 /nfs/dbraw/zinc/04/24/83/221042483.db2.gz BMFVAAVKNZDQPO-PKOBYXMFSA-N 2 2 347.503 1.729 10 0 EDAELP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000246870468 278256728 /nfs/dbraw/zinc/25/67/28/278256728.db2.gz GDJUMMOCMYBQBA-IKGGRYGDSA-N 2 2 338.496 1.223 10 0 EDAELP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000246870468 278256729 /nfs/dbraw/zinc/25/67/29/278256729.db2.gz GDJUMMOCMYBQBA-IKGGRYGDSA-N 2 2 338.496 1.223 10 0 EDAELP CC(C)CNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863289 441295023 /nfs/dbraw/zinc/29/50/23/441295023.db2.gz KTGPVQRCKSHZAW-INIZCTEOSA-N 2 2 335.496 1.440 10 0 EDAELP CC(C)CNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863289 441295025 /nfs/dbraw/zinc/29/50/25/441295025.db2.gz KTGPVQRCKSHZAW-INIZCTEOSA-N 2 2 335.496 1.440 10 0 EDAELP CCCCc1[nH]c(CN2C(=O)N[C@@](C)(C3CC[NH2+]CC3)C2=O)c[nH+]1 ZINC000067724198 441673689 /nfs/dbraw/zinc/67/36/89/441673689.db2.gz VLJCTJCBGJGHFR-KRWDZBQOSA-N 2 2 333.436 1.562 10 0 EDAELP CCCCc1[nH]cc(CN2C(=O)N[C@@](C)(C3CC[NH2+]CC3)C2=O)[nH+]1 ZINC000067724198 441673695 /nfs/dbraw/zinc/67/36/95/441673695.db2.gz VLJCTJCBGJGHFR-KRWDZBQOSA-N 2 2 333.436 1.562 10 0 EDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174191547 441900421 /nfs/dbraw/zinc/90/04/21/441900421.db2.gz JMIZQLXSTPOQKJ-RTBURBONSA-N 2 2 345.487 1.340 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc3ccccn23)nc[nH+]1 ZINC000171627100 442364379 /nfs/dbraw/zinc/36/43/79/442364379.db2.gz IAWJMFSYCCFBKJ-AWEZNQCLSA-N 2 2 337.431 1.925 10 0 EDAELP COc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1 ZINC000171828721 442383775 /nfs/dbraw/zinc/38/37/75/442383775.db2.gz RTKPWHXSIGGALX-GOSISDBHSA-N 2 2 348.491 1.317 10 0 EDAELP COc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1 ZINC000171828721 442383776 /nfs/dbraw/zinc/38/37/76/442383776.db2.gz RTKPWHXSIGGALX-GOSISDBHSA-N 2 2 348.491 1.317 10 0 EDAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000157073778 442547361 /nfs/dbraw/zinc/54/73/61/442547361.db2.gz XYDBYHCIMUQSNC-HOCLYGCPSA-N 2 2 342.447 1.795 10 0 EDAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000157073778 442547365 /nfs/dbraw/zinc/54/73/65/442547365.db2.gz XYDBYHCIMUQSNC-HOCLYGCPSA-N 2 2 342.447 1.795 10 0 EDAELP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000179103112 442572630 /nfs/dbraw/zinc/57/26/30/442572630.db2.gz XGBDYLMTWLDMPB-KBAYOESNSA-N 2 2 346.475 1.452 10 0 EDAELP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000179103112 442572633 /nfs/dbraw/zinc/57/26/33/442572633.db2.gz XGBDYLMTWLDMPB-KBAYOESNSA-N 2 2 346.475 1.452 10 0 EDAELP COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915186 443028302 /nfs/dbraw/zinc/02/83/02/443028302.db2.gz GCLQJKPBNSGLEE-STQMWFEESA-N 2 2 330.388 1.201 10 0 EDAELP CC1(C)C[N@H+](CCS(=O)(=O)c2cccc(C[NH3+])c2)CCS1 ZINC000158640113 529121205 /nfs/dbraw/zinc/12/12/05/529121205.db2.gz WJYJCVPLUGHYFA-UHFFFAOYSA-N 2 2 328.503 1.746 10 0 EDAELP CC1(C)C[N@@H+](CCS(=O)(=O)c2cccc(C[NH3+])c2)CCS1 ZINC000158640113 529121208 /nfs/dbraw/zinc/12/12/08/529121208.db2.gz WJYJCVPLUGHYFA-UHFFFAOYSA-N 2 2 328.503 1.746 10 0 EDAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515871 535161817 /nfs/dbraw/zinc/16/18/17/535161817.db2.gz WRHPIOPHEIZXQB-HUUCEWRRSA-N 2 2 347.463 1.686 10 0 EDAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515871 535161820 /nfs/dbraw/zinc/16/18/20/535161820.db2.gz WRHPIOPHEIZXQB-HUUCEWRRSA-N 2 2 347.463 1.686 10 0 EDAELP Cn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000825103046 594130266 /nfs/dbraw/zinc/13/02/66/594130266.db2.gz VMAMSSGBCIZHTI-GOEBONIOSA-N 2 2 338.415 1.868 10 0 EDAELP COc1c(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(C)nn1C ZINC000092665556 138290086 /nfs/dbraw/zinc/29/00/86/138290086.db2.gz SAAZNYHOSOFQDD-HZPDHXFCSA-N 2 2 349.523 1.728 10 0 EDAELP O[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131585789 223248605 /nfs/dbraw/zinc/24/86/05/223248605.db2.gz JCPVCSPTDUOSTB-RBUKOAKNSA-N 2 2 334.460 1.218 10 0 EDAELP O[C@@H](COCc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131585789 223248609 /nfs/dbraw/zinc/24/86/09/223248609.db2.gz JCPVCSPTDUOSTB-RBUKOAKNSA-N 2 2 334.460 1.218 10 0 EDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000246599489 139114585 /nfs/dbraw/zinc/11/45/85/139114585.db2.gz BGTICUPDKOJXGL-XYJFISCASA-N 2 2 333.476 1.073 10 0 EDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000246599489 139114586 /nfs/dbraw/zinc/11/45/86/139114586.db2.gz BGTICUPDKOJXGL-XYJFISCASA-N 2 2 333.476 1.073 10 0 EDAELP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000105124540 441236306 /nfs/dbraw/zinc/23/63/06/441236306.db2.gz JMBDTSHZCKNLJD-IRXDYDNUSA-N 2 2 338.496 1.367 10 0 EDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000105174536 441241410 /nfs/dbraw/zinc/24/14/10/441241410.db2.gz LFENBZRJIXAHGF-MRXNPFEDSA-N 3 2 339.528 1.138 10 0 EDAELP CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000105174536 441241413 /nfs/dbraw/zinc/24/14/13/441241413.db2.gz LFENBZRJIXAHGF-MRXNPFEDSA-N 3 2 339.528 1.138 10 0 EDAELP CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000105174536 441241415 /nfs/dbraw/zinc/24/14/15/441241415.db2.gz LFENBZRJIXAHGF-MRXNPFEDSA-N 3 2 339.528 1.138 10 0 EDAELP CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000105174536 441241418 /nfs/dbraw/zinc/24/14/18/441241418.db2.gz LFENBZRJIXAHGF-MRXNPFEDSA-N 3 2 339.528 1.138 10 0 EDAELP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000105863255 441293636 /nfs/dbraw/zinc/29/36/36/441293636.db2.gz OOFVDKWWWKWPLW-QGZVFWFLSA-N 2 2 347.507 1.538 10 0 EDAELP C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000105863255 441293640 /nfs/dbraw/zinc/29/36/40/441293640.db2.gz OOFVDKWWWKWPLW-QGZVFWFLSA-N 2 2 347.507 1.538 10 0 EDAELP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105896959 441311946 /nfs/dbraw/zinc/31/19/46/441311946.db2.gz IIXRMGYDWVBWFT-HNNXBMFYSA-N 2 2 349.479 1.067 10 0 EDAELP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105896959 441311948 /nfs/dbraw/zinc/31/19/48/441311948.db2.gz IIXRMGYDWVBWFT-HNNXBMFYSA-N 2 2 349.479 1.067 10 0 EDAELP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H](O)C[NH+]3CCCCC3)cn21 ZINC000109405107 441499260 /nfs/dbraw/zinc/49/92/60/441499260.db2.gz HXCUOOBOLHZQSI-MRXNPFEDSA-N 2 2 345.447 1.289 10 0 EDAELP CCC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OCC ZINC000114802789 441685605 /nfs/dbraw/zinc/68/56/05/441685605.db2.gz AYNVWMZKBLEBJX-ZIAGYGMSSA-N 2 2 335.452 1.809 10 0 EDAELP C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000077368673 441764831 /nfs/dbraw/zinc/76/48/31/441764831.db2.gz BKZGKCGKMNVFOP-HZPDHXFCSA-N 2 2 332.448 1.230 10 0 EDAELP CCOCC[NH+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000174734558 441962278 /nfs/dbraw/zinc/96/22/78/441962278.db2.gz MROUEDCHLROGAM-INIZCTEOSA-N 2 2 333.480 1.871 10 0 EDAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000175472777 442069181 /nfs/dbraw/zinc/06/91/81/442069181.db2.gz PSKYTDJPSLUQES-OAHLLOKOSA-N 2 2 337.468 1.185 10 0 EDAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000175795185 442123415 /nfs/dbraw/zinc/12/34/15/442123415.db2.gz UWGCGTWAVJBDFR-ZDUSSCGKSA-N 2 2 331.416 1.555 10 0 EDAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000175795185 442123419 /nfs/dbraw/zinc/12/34/19/442123419.db2.gz UWGCGTWAVJBDFR-ZDUSSCGKSA-N 2 2 331.416 1.555 10 0 EDAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncn(-c3ccccc3)n2)CC1 ZINC000181562960 442704153 /nfs/dbraw/zinc/70/41/53/442704153.db2.gz AYEHDOPDUGUITL-MRXNPFEDSA-N 2 2 343.475 1.792 10 0 EDAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncn(-c3ccccc3)n2)CC1 ZINC000181562960 442704155 /nfs/dbraw/zinc/70/41/55/442704155.db2.gz AYEHDOPDUGUITL-MRXNPFEDSA-N 2 2 343.475 1.792 10 0 EDAELP Cc1c[nH+]c2cc(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)ccn12 ZINC000564466747 321133793 /nfs/dbraw/zinc/13/37/93/321133793.db2.gz VBIBRZZLZRGFML-XJKSGUPXSA-N 2 2 328.416 1.435 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNc2cc[nH+]cc2C(N)=O)[C@@H]1c1ccccc1 ZINC000583617530 448445506 /nfs/dbraw/zinc/44/55/06/448445506.db2.gz MRPFORIHPNHILQ-IRXDYDNUSA-N 2 2 326.400 1.086 10 0 EDAELP C[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2C(N)=O)[C@@H]1c1ccccc1 ZINC000583617530 448445512 /nfs/dbraw/zinc/44/55/12/448445512.db2.gz MRPFORIHPNHILQ-IRXDYDNUSA-N 2 2 326.400 1.086 10 0 EDAELP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000051760449 214104151 /nfs/dbraw/zinc/10/41/51/214104151.db2.gz ZCIVTBAEMUSFCQ-RHSMWYFYSA-N 2 2 338.496 1.412 10 0 EDAELP C[NH+](C)CCCCCCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173902015 231065223 /nfs/dbraw/zinc/06/52/23/231065223.db2.gz GMKCIKPSKCRZLX-QGZVFWFLSA-N 2 2 340.512 1.615 10 0 EDAELP CC(C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000106428538 219643679 /nfs/dbraw/zinc/64/36/79/219643679.db2.gz MXDCDKLPBDQHBW-RTBURBONSA-N 2 2 347.503 1.632 10 0 EDAELP CC(C)Cn1c[nH+]cc1CNC(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072479508 216258315 /nfs/dbraw/zinc/25/83/15/216258315.db2.gz VSHPTHXTHFVGIN-MRXNPFEDSA-N 3 2 333.480 1.229 10 0 EDAELP CC(C)Cn1c[nH+]cc1CNC(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072479508 216258319 /nfs/dbraw/zinc/25/83/19/216258319.db2.gz VSHPTHXTHFVGIN-MRXNPFEDSA-N 3 2 333.480 1.229 10 0 EDAELP O=C1[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1CC(F)(F)F ZINC000111212903 220109525 /nfs/dbraw/zinc/10/95/25/220109525.db2.gz FCIHNGKCYGUNPS-QWHCGFSZSA-N 2 2 342.365 1.979 10 0 EDAELP O=C1[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1CC(F)(F)F ZINC000111212903 220109529 /nfs/dbraw/zinc/10/95/29/220109529.db2.gz FCIHNGKCYGUNPS-QWHCGFSZSA-N 2 2 342.365 1.979 10 0 EDAELP CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248398395 139161971 /nfs/dbraw/zinc/16/19/71/139161971.db2.gz NHXGNDXTNAGXHT-ZWKOTPCHSA-N 2 2 346.475 1.006 10 0 EDAELP CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248398395 139161972 /nfs/dbraw/zinc/16/19/72/139161972.db2.gz NHXGNDXTNAGXHT-ZWKOTPCHSA-N 2 2 346.475 1.006 10 0 EDAELP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249913597 139199959 /nfs/dbraw/zinc/19/99/59/139199959.db2.gz WRHPIOPHEIZXQB-GJZGRUSLSA-N 2 2 347.463 1.686 10 0 EDAELP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249913597 139199960 /nfs/dbraw/zinc/19/99/60/139199960.db2.gz WRHPIOPHEIZXQB-GJZGRUSLSA-N 2 2 347.463 1.686 10 0 EDAELP CN1CC[NH2+]C[C@@H]1c1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000263221587 139329093 /nfs/dbraw/zinc/32/90/93/139329093.db2.gz LWWKGDZCDBIAIF-ZIAGYGMSSA-N 2 2 335.839 1.950 10 0 EDAELP C[C@H](c1nc(CC(=O)N2CC[NH+](C)CC2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000333241957 141286519 /nfs/dbraw/zinc/28/65/19/141286519.db2.gz WNPNTBAOIMJWNU-MGPQQGTHSA-N 2 2 335.452 1.320 10 0 EDAELP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCCCCC1 ZINC000105105559 441233107 /nfs/dbraw/zinc/23/31/07/441233107.db2.gz DSNQRCVMJMZFHK-DLBZAZTESA-N 2 2 340.512 1.517 10 0 EDAELP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCCCC1 ZINC000105105559 441233112 /nfs/dbraw/zinc/23/31/12/441233112.db2.gz DSNQRCVMJMZFHK-DLBZAZTESA-N 2 2 340.512 1.517 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)NCCC(C)C)nc[nH+]1 ZINC000105797755 441272184 /nfs/dbraw/zinc/27/21/84/441272184.db2.gz BTVQWKNDCXKZQA-HUUCEWRRSA-N 2 2 348.495 1.628 10 0 EDAELP CCCCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797742 441272538 /nfs/dbraw/zinc/27/25/38/441272538.db2.gz URGUVNNHAHSBHN-LSDHHAIUSA-N 2 2 348.495 1.772 10 0 EDAELP Nc1nc(NC[C@@H](O)C[NH+]2CCCCCC2)cc(N2CCCC2)[nH+]1 ZINC000065495669 441445571 /nfs/dbraw/zinc/44/55/71/441445571.db2.gz MVPNDXCDFRKJJK-CQSZACIVSA-N 2 2 334.468 1.308 10 0 EDAELP Nc1nc(N2CCCC2)cc(NC[C@@H](O)C[NH+]2CCCCCC2)[nH+]1 ZINC000065495669 441445572 /nfs/dbraw/zinc/44/55/72/441445572.db2.gz MVPNDXCDFRKJJK-CQSZACIVSA-N 2 2 334.468 1.308 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCCN(C(C)C)C2=O)nc[nH+]1 ZINC000175016467 441995881 /nfs/dbraw/zinc/99/58/81/441995881.db2.gz ZRGNHHPVBQAQBE-CABCVRRESA-N 2 2 346.479 1.476 10 0 EDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175837842 442131437 /nfs/dbraw/zinc/13/14/37/442131437.db2.gz TXUNINOTAFLSDX-LJQANCHMSA-N 2 2 345.487 1.483 10 0 EDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000127520503 442209216 /nfs/dbraw/zinc/20/92/16/442209216.db2.gz NAHGYKTUGYSMKA-HOTGVXAUSA-N 2 2 337.464 1.639 10 0 EDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000127520503 442209218 /nfs/dbraw/zinc/20/92/18/442209218.db2.gz NAHGYKTUGYSMKA-HOTGVXAUSA-N 2 2 337.464 1.639 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1CC ZINC000172298508 442437983 /nfs/dbraw/zinc/43/79/83/442437983.db2.gz FYROACGDSFMITK-MRXNPFEDSA-N 2 2 330.432 1.907 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1CC ZINC000172298508 442437986 /nfs/dbraw/zinc/43/79/86/442437986.db2.gz FYROACGDSFMITK-MRXNPFEDSA-N 2 2 330.432 1.907 10 0 EDAELP CC[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000184832688 443082958 /nfs/dbraw/zinc/08/29/58/443082958.db2.gz LMBBWAKJJXKMQB-ZBFHGGJFSA-N 2 2 349.479 1.134 10 0 EDAELP CC[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@H+]1C[C@@H](C)O ZINC000184832688 443082963 /nfs/dbraw/zinc/08/29/63/443082963.db2.gz LMBBWAKJJXKMQB-ZBFHGGJFSA-N 2 2 349.479 1.134 10 0 EDAELP FC(F)(F)COCC[N@H+](Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000261919378 443174543 /nfs/dbraw/zinc/17/45/43/443174543.db2.gz USWXPKWIWNIRSL-AWEZNQCLSA-N 2 2 332.370 2.000 10 0 EDAELP FC(F)(F)COCC[N@@H+](Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000261919378 443174549 /nfs/dbraw/zinc/17/45/49/443174549.db2.gz USWXPKWIWNIRSL-AWEZNQCLSA-N 2 2 332.370 2.000 10 0 EDAELP C[C@@H]1C[N@H+](C)C[C@H](c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)O1 ZINC000527545641 448261933 /nfs/dbraw/zinc/26/19/33/448261933.db2.gz XCKZBAAQGYVXGO-DGCLKSJQSA-N 2 2 326.360 1.709 10 0 EDAELP C[C@@H]1C[N@@H+](C)C[C@H](c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)O1 ZINC000527545641 448261937 /nfs/dbraw/zinc/26/19/37/448261937.db2.gz XCKZBAAQGYVXGO-DGCLKSJQSA-N 2 2 326.360 1.709 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616597427 450454531 /nfs/dbraw/zinc/45/45/31/450454531.db2.gz FHKUPXOGKAODGE-CQSZACIVSA-N 2 2 336.436 1.952 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616597427 450454533 /nfs/dbraw/zinc/45/45/33/450454533.db2.gz FHKUPXOGKAODGE-CQSZACIVSA-N 2 2 336.436 1.952 10 0 EDAELP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000052856271 487353887 /nfs/dbraw/zinc/35/38/87/487353887.db2.gz UEEQJDYWSVYNMC-ROUUACIJSA-N 2 2 345.487 1.748 10 0 EDAELP COc1c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C)nn1C ZINC000093147701 138291954 /nfs/dbraw/zinc/29/19/54/138291954.db2.gz CEPAEAHRDNIFGS-MRXNPFEDSA-N 2 2 335.496 1.339 10 0 EDAELP COc1c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)nn1C ZINC000093147701 138291955 /nfs/dbraw/zinc/29/19/55/138291955.db2.gz CEPAEAHRDNIFGS-MRXNPFEDSA-N 2 2 335.496 1.339 10 0 EDAELP CCC[N@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000246208155 139099297 /nfs/dbraw/zinc/09/92/97/139099297.db2.gz OJDICPADBHIIRP-CVEARBPZSA-N 2 2 333.480 1.606 10 0 EDAELP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000246208155 139099298 /nfs/dbraw/zinc/09/92/98/139099298.db2.gz OJDICPADBHIIRP-CVEARBPZSA-N 2 2 333.480 1.606 10 0 EDAELP CCC[N@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000246208155 139099299 /nfs/dbraw/zinc/09/92/99/139099299.db2.gz OJDICPADBHIIRP-CVEARBPZSA-N 2 2 333.480 1.606 10 0 EDAELP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000246208155 139099300 /nfs/dbraw/zinc/09/93/00/139099300.db2.gz OJDICPADBHIIRP-CVEARBPZSA-N 2 2 333.480 1.606 10 0 EDAELP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261678360 139216843 /nfs/dbraw/zinc/21/68/43/139216843.db2.gz GUDVBXVTWFXPIR-BLLLJJGKSA-N 2 2 333.432 1.844 10 0 EDAELP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261678360 139216844 /nfs/dbraw/zinc/21/68/44/139216844.db2.gz GUDVBXVTWFXPIR-BLLLJJGKSA-N 2 2 333.432 1.844 10 0 EDAELP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261724767 139220853 /nfs/dbraw/zinc/22/08/53/139220853.db2.gz JNGIPOGREVXBBE-MRXNPFEDSA-N 2 2 335.448 1.379 10 0 EDAELP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261724767 139220854 /nfs/dbraw/zinc/22/08/54/139220854.db2.gz JNGIPOGREVXBBE-MRXNPFEDSA-N 2 2 335.448 1.379 10 0 EDAELP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261811630 139228124 /nfs/dbraw/zinc/22/81/24/139228124.db2.gz OVNVAYDNOKXVTE-KRWDZBQOSA-N 2 2 333.476 1.899 10 0 EDAELP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261811630 139228125 /nfs/dbraw/zinc/22/81/25/139228125.db2.gz OVNVAYDNOKXVTE-KRWDZBQOSA-N 2 2 333.476 1.899 10 0 EDAELP C[C@H]1C[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000119492236 221333740 /nfs/dbraw/zinc/33/37/40/221333740.db2.gz GOJBMVGKADUMTM-GOEBONIOSA-N 2 2 339.505 1.567 10 0 EDAELP C[C@H]1C[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000119492236 221333742 /nfs/dbraw/zinc/33/37/42/221333742.db2.gz GOJBMVGKADUMTM-GOEBONIOSA-N 2 2 339.505 1.567 10 0 EDAELP NNc1nc(N2CC[NH+](C3CCCC3)CC2)c(Br)c[nH+]1 ZINC000160007959 225318232 /nfs/dbraw/zinc/31/82/32/225318232.db2.gz DCQOERVSLPVHHW-UHFFFAOYSA-N 2 2 341.257 1.589 10 0 EDAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000122438605 222087675 /nfs/dbraw/zinc/08/76/75/222087675.db2.gz OFTVOLJQOOESAH-HOTGVXAUSA-N 2 2 333.480 1.936 10 0 EDAELP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCC(C)CC1 ZINC000173906112 278273206 /nfs/dbraw/zinc/27/32/06/278273206.db2.gz YTIDXGSMBCHYFG-IRXDYDNUSA-N 2 2 338.496 1.223 10 0 EDAELP C[C@@H](CNC(=O)NCCCCNc1cccc[nH+]1)[NH+]1CCOCC1 ZINC000105124583 441236057 /nfs/dbraw/zinc/23/60/57/441236057.db2.gz ZCCBXEBNHRAOSJ-HNNXBMFYSA-N 2 2 335.452 1.294 10 0 EDAELP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000104784599 441208207 /nfs/dbraw/zinc/20/82/07/441208207.db2.gz SZXYMXDXVRYSOM-GOSISDBHSA-N 2 2 348.491 1.658 10 0 EDAELP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000104784599 441208209 /nfs/dbraw/zinc/20/82/09/441208209.db2.gz SZXYMXDXVRYSOM-GOSISDBHSA-N 2 2 348.491 1.658 10 0 EDAELP C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863317 441294003 /nfs/dbraw/zinc/29/40/03/441294003.db2.gz GHRIPPJMAXIZQX-UHFFFAOYSA-N 2 2 341.459 1.578 10 0 EDAELP C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863317 441294005 /nfs/dbraw/zinc/29/40/05/441294005.db2.gz GHRIPPJMAXIZQX-UHFFFAOYSA-N 2 2 341.459 1.578 10 0 EDAELP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCOCC1)c1cccs1 ZINC000095252492 441911394 /nfs/dbraw/zinc/91/13/94/441911394.db2.gz NYBUFLNVKLSNKF-HRCADAONSA-N 2 2 349.500 1.521 10 0 EDAELP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000150720921 441936077 /nfs/dbraw/zinc/93/60/77/441936077.db2.gz XCRAOBRPDIPLTM-AEFFLSMTSA-N 2 2 333.476 1.244 10 0 EDAELP CCC[C@H](C(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1)[NH+](C)C ZINC000155627526 442413998 /nfs/dbraw/zinc/41/39/98/442413998.db2.gz JYMSGDMCWQGYBY-QGZVFWFLSA-N 2 2 335.496 1.668 10 0 EDAELP CCC[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1)[NH+](C)C ZINC000155627526 442413999 /nfs/dbraw/zinc/41/39/99/442413999.db2.gz JYMSGDMCWQGYBY-QGZVFWFLSA-N 2 2 335.496 1.668 10 0 EDAELP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000180477746 442608943 /nfs/dbraw/zinc/60/89/43/442608943.db2.gz NSLBLCHOBHVOTB-IEBWSBKVSA-N 2 2 333.476 1.058 10 0 EDAELP COc1cc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1O ZINC000192946170 442700298 /nfs/dbraw/zinc/70/02/98/442700298.db2.gz VZNWETFCSKUCJI-SFHVURJKSA-N 2 2 342.439 1.910 10 0 EDAELP COc1cc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1O ZINC000192946170 442700301 /nfs/dbraw/zinc/70/03/01/442700301.db2.gz VZNWETFCSKUCJI-SFHVURJKSA-N 2 2 342.439 1.910 10 0 EDAELP CC(C)n1nnnc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182984979 442859744 /nfs/dbraw/zinc/85/97/44/442859744.db2.gz FWVWJGMHADPSHC-UHFFFAOYSA-N 2 2 336.484 1.578 10 0 EDAELP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291095 443005314 /nfs/dbraw/zinc/00/53/14/443005314.db2.gz FTSGCISJZOTFKN-GOEBONIOSA-N 2 2 347.463 1.070 10 0 EDAELP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291095 443005315 /nfs/dbraw/zinc/00/53/15/443005315.db2.gz FTSGCISJZOTFKN-GOEBONIOSA-N 2 2 347.463 1.070 10 0 EDAELP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195291095 443005316 /nfs/dbraw/zinc/00/53/16/443005316.db2.gz FTSGCISJZOTFKN-GOEBONIOSA-N 2 2 347.463 1.070 10 0 EDAELP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195291095 443005318 /nfs/dbraw/zinc/00/53/18/443005318.db2.gz FTSGCISJZOTFKN-GOEBONIOSA-N 2 2 347.463 1.070 10 0 EDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CC[C@@H](C)O3)CC2)C1 ZINC000190524151 443127890 /nfs/dbraw/zinc/12/78/90/443127890.db2.gz UZUOMZGIATWJSN-FGTMMUONSA-N 2 2 325.497 1.281 10 0 EDAELP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C(F)(F)F ZINC000299741535 444130296 /nfs/dbraw/zinc/13/02/96/444130296.db2.gz FPXQRCPILKHZCY-VXGBXAGGSA-N 2 2 330.354 1.504 10 0 EDAELP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C(F)(F)F ZINC000299741535 444130298 /nfs/dbraw/zinc/13/02/98/444130298.db2.gz FPXQRCPILKHZCY-VXGBXAGGSA-N 2 2 330.354 1.504 10 0 EDAELP CCN(C)C(=O)CC[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1c[nH+]cn1C ZINC000583620150 448450371 /nfs/dbraw/zinc/45/03/71/448450371.db2.gz HOZAHEMSHYGULS-MAUKXSAKSA-N 2 2 335.496 1.603 10 0 EDAELP CCN(C)C(=O)CC[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1c[nH+]cn1C ZINC000583620150 448450378 /nfs/dbraw/zinc/45/03/78/448450378.db2.gz HOZAHEMSHYGULS-MAUKXSAKSA-N 2 2 335.496 1.603 10 0 EDAELP CCN(C)C(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cncn1C ZINC000583620150 448450383 /nfs/dbraw/zinc/45/03/83/448450383.db2.gz HOZAHEMSHYGULS-MAUKXSAKSA-N 2 2 335.496 1.603 10 0 EDAELP CCN(C)C(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cncn1C ZINC000583620150 448450386 /nfs/dbraw/zinc/45/03/86/448450386.db2.gz HOZAHEMSHYGULS-MAUKXSAKSA-N 2 2 335.496 1.603 10 0 EDAELP CCN(C)C(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000583620150 448450391 /nfs/dbraw/zinc/45/03/91/448450391.db2.gz HOZAHEMSHYGULS-MAUKXSAKSA-N 2 2 335.496 1.603 10 0 EDAELP CCN(C)C(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000583620150 448450394 /nfs/dbraw/zinc/45/03/94/448450394.db2.gz HOZAHEMSHYGULS-MAUKXSAKSA-N 2 2 335.496 1.603 10 0 EDAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000665283541 453636164 /nfs/dbraw/zinc/63/61/64/453636164.db2.gz PMZOPSZLXWVEDV-DFQSSKMNSA-N 3 2 330.520 1.780 10 0 EDAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000665283541 453636168 /nfs/dbraw/zinc/63/61/68/453636168.db2.gz PMZOPSZLXWVEDV-DFQSSKMNSA-N 3 2 330.520 1.780 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000180852873 529130896 /nfs/dbraw/zinc/13/08/96/529130896.db2.gz ZXXXJBRDZLCRSF-HUUCEWRRSA-N 2 2 349.475 1.907 10 0 EDAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398948544 578318374 /nfs/dbraw/zinc/31/83/74/578318374.db2.gz CLFZMVBSHBUQQF-MJGOQNOKSA-N 3 2 331.504 1.943 10 0 EDAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000398948544 578318375 /nfs/dbraw/zinc/31/83/75/578318375.db2.gz CLFZMVBSHBUQQF-MJGOQNOKSA-N 3 2 331.504 1.943 10 0 EDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000247130067 139136832 /nfs/dbraw/zinc/13/68/32/139136832.db2.gz JIPKBLIYOCGZHS-ZBFHGGJFSA-N 2 2 327.432 1.755 10 0 EDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000247130067 139136833 /nfs/dbraw/zinc/13/68/33/139136833.db2.gz JIPKBLIYOCGZHS-ZBFHGGJFSA-N 2 2 327.432 1.755 10 0 EDAELP C[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000248551278 139167106 /nfs/dbraw/zinc/16/71/06/139167106.db2.gz IOICRLRHCSIDOU-VQIMIIECSA-N 2 2 335.467 1.910 10 0 EDAELP C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000248551278 139167107 /nfs/dbraw/zinc/16/71/07/139167107.db2.gz IOICRLRHCSIDOU-VQIMIIECSA-N 2 2 335.467 1.910 10 0 EDAELP C[C@H]1OCCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000249615899 139196638 /nfs/dbraw/zinc/19/66/38/139196638.db2.gz PHXIDHDNXXGPEX-FNNOIMFVSA-N 2 2 335.492 1.571 10 0 EDAELP C[C@H]1OCCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000249615899 139196639 /nfs/dbraw/zinc/19/66/39/139196639.db2.gz PHXIDHDNXXGPEX-FNNOIMFVSA-N 2 2 335.492 1.571 10 0 EDAELP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261643716 139213826 /nfs/dbraw/zinc/21/38/26/139213826.db2.gz GMSITVHJNWFLGC-AWEZNQCLSA-N 2 2 334.420 1.403 10 0 EDAELP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261643716 139213827 /nfs/dbraw/zinc/21/38/27/139213827.db2.gz GMSITVHJNWFLGC-AWEZNQCLSA-N 2 2 334.420 1.403 10 0 EDAELP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000261780520 139225393 /nfs/dbraw/zinc/22/53/93/139225393.db2.gz MWURNQLKAKMERR-GOSISDBHSA-N 3 2 344.503 1.390 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000261780520 139225394 /nfs/dbraw/zinc/22/53/94/139225394.db2.gz MWURNQLKAKMERR-GOSISDBHSA-N 3 2 344.503 1.390 10 0 EDAELP C[NH2+][C@H](Cc1ccc(Br)cn1)[C@H]1C[N@H+](C)CCCN1C ZINC000168004453 533011050 /nfs/dbraw/zinc/01/10/50/533011050.db2.gz UVFQMCRCUOCNAK-HUUCEWRRSA-N 2 2 341.297 1.611 10 0 EDAELP C[NH2+][C@H](Cc1ccc(Br)cn1)[C@H]1C[N@@H+](C)CCCN1C ZINC000168004453 533011056 /nfs/dbraw/zinc/01/10/56/533011056.db2.gz UVFQMCRCUOCNAK-HUUCEWRRSA-N 2 2 341.297 1.611 10 0 EDAELP C[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189908448 272970445 /nfs/dbraw/zinc/97/04/45/272970445.db2.gz NIGZORIXZWTLHN-GFCCVEGCSA-N 2 2 327.388 1.511 10 0 EDAELP CC[C@H]1CN(CCC[NH+]2CCN(C(C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000191483598 281166599 /nfs/dbraw/zinc/16/65/99/281166599.db2.gz YMICUCZYGIUZTG-MOPGFXCFSA-N 2 2 340.556 1.180 10 0 EDAELP CC[C@H]1CN(CCC[NH+]2CCN(C(C)C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000191483598 281166603 /nfs/dbraw/zinc/16/66/03/281166603.db2.gz YMICUCZYGIUZTG-MOPGFXCFSA-N 2 2 340.556 1.180 10 0 EDAELP C[C@H]([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)[NH+]1CCOCC1 ZINC000246522102 290204983 /nfs/dbraw/zinc/20/49/83/290204983.db2.gz VRSLJCJAVRHEJF-LZLYRXPVSA-N 2 2 348.491 1.698 10 0 EDAELP CCc1ccc([C@@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000105083288 441231444 /nfs/dbraw/zinc/23/14/44/441231444.db2.gz CRWWXNVPYXSAFA-ZWKOTPCHSA-N 2 2 348.491 1.482 10 0 EDAELP CCc1ccc([C@@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000105083288 441231447 /nfs/dbraw/zinc/23/14/47/441231447.db2.gz CRWWXNVPYXSAFA-ZWKOTPCHSA-N 2 2 348.491 1.482 10 0 EDAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000113590901 441617013 /nfs/dbraw/zinc/61/70/13/441617013.db2.gz WMSBEYVXZXTFHO-CVEARBPZSA-N 2 2 326.485 1.271 10 0 EDAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000113590901 441617016 /nfs/dbraw/zinc/61/70/16/441617016.db2.gz WMSBEYVXZXTFHO-CVEARBPZSA-N 2 2 326.485 1.271 10 0 EDAELP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000113616786 441618615 /nfs/dbraw/zinc/61/86/15/441618615.db2.gz BRSYQTAARFMCHG-RDJZCZTQSA-N 2 2 348.491 1.746 10 0 EDAELP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000113616786 441618622 /nfs/dbraw/zinc/61/86/22/441618622.db2.gz BRSYQTAARFMCHG-RDJZCZTQSA-N 2 2 348.491 1.746 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCCN(C(C)C)C2=O)nc[nH+]1 ZINC000175016451 441995528 /nfs/dbraw/zinc/99/55/28/441995528.db2.gz ZRGNHHPVBQAQBE-LSDHHAIUSA-N 2 2 346.479 1.476 10 0 EDAELP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000125849985 442054508 /nfs/dbraw/zinc/05/45/08/442054508.db2.gz DLXRZWIMDVMSEN-MOPGFXCFSA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000125849985 442054511 /nfs/dbraw/zinc/05/45/11/442054511.db2.gz DLXRZWIMDVMSEN-MOPGFXCFSA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125849985 442054519 /nfs/dbraw/zinc/05/45/19/442054519.db2.gz DLXRZWIMDVMSEN-MOPGFXCFSA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000125849985 442054521 /nfs/dbraw/zinc/05/45/21/442054521.db2.gz DLXRZWIMDVMSEN-MOPGFXCFSA-N 2 2 343.471 1.584 10 0 EDAELP CCC[C@@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)[NH+](C)C ZINC000126127243 442081127 /nfs/dbraw/zinc/08/11/27/442081127.db2.gz HWVXFZGNXPYMSD-KRWDZBQOSA-N 2 2 343.475 1.709 10 0 EDAELP CC[N@H+](CC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C1CC1 ZINC000152666711 442236112 /nfs/dbraw/zinc/23/61/12/442236112.db2.gz JPCWSICNILVFNA-UHFFFAOYSA-N 2 2 333.480 1.165 10 0 EDAELP CC[N@@H+](CC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C1CC1 ZINC000152666711 442236115 /nfs/dbraw/zinc/23/61/15/442236115.db2.gz JPCWSICNILVFNA-UHFFFAOYSA-N 2 2 333.480 1.165 10 0 EDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3ccccn3)CC2)C1 ZINC000177132869 442302189 /nfs/dbraw/zinc/30/21/89/442302189.db2.gz QYCPHUCLDARYGC-ZWKOTPCHSA-N 2 2 332.492 1.869 10 0 EDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3ccccn3)CC2)C1 ZINC000177132869 442302193 /nfs/dbraw/zinc/30/21/93/442302193.db2.gz QYCPHUCLDARYGC-ZWKOTPCHSA-N 2 2 332.492 1.869 10 0 EDAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC(C)(C)C1 ZINC000177356976 442331790 /nfs/dbraw/zinc/33/17/90/442331790.db2.gz BJHLTIUZKQTKSN-BRWVUGGUSA-N 2 2 337.508 1.724 10 0 EDAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000179285524 442612766 /nfs/dbraw/zinc/61/27/66/442612766.db2.gz HVVKXABATARJMW-UHFFFAOYSA-N 2 2 348.495 1.325 10 0 EDAELP c1ncn([C@@H]2CCC[NH+](CCC[N@@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908960 442627094 /nfs/dbraw/zinc/62/70/94/442627094.db2.gz CTQNAGUENJCAEP-CALCHBBNSA-N 2 2 344.467 1.234 10 0 EDAELP c1ncn([C@@H]2CCC[NH+](CCC[N@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908960 442627098 /nfs/dbraw/zinc/62/70/98/442627098.db2.gz CTQNAGUENJCAEP-CALCHBBNSA-N 2 2 344.467 1.234 10 0 EDAELP c1ncn([C@@H]2CCC[N@@H+](CCC[NH+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908960 442627102 /nfs/dbraw/zinc/62/71/02/442627102.db2.gz CTQNAGUENJCAEP-CALCHBBNSA-N 2 2 344.467 1.234 10 0 EDAELP c1ncn([C@@H]2CCC[N@H+](CCC[NH+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908960 442627105 /nfs/dbraw/zinc/62/71/05/442627105.db2.gz CTQNAGUENJCAEP-CALCHBBNSA-N 2 2 344.467 1.234 10 0 EDAELP C[C@H]([C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000246363889 442776844 /nfs/dbraw/zinc/77/68/44/442776844.db2.gz PUVOCXJRCVCPMF-JZXOWHBKSA-N 2 2 333.476 1.385 10 0 EDAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)cn2)CC1 ZINC000245514265 443233453 /nfs/dbraw/zinc/23/34/53/443233453.db2.gz FOOBOJAYCMFYOW-SJORKVTESA-N 2 2 331.464 1.372 10 0 EDAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)cn2)CC1 ZINC000245514265 443233455 /nfs/dbraw/zinc/23/34/55/443233455.db2.gz FOOBOJAYCMFYOW-SJORKVTESA-N 2 2 331.464 1.372 10 0 EDAELP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000643962118 452873647 /nfs/dbraw/zinc/87/36/47/452873647.db2.gz NPUODNQTOJBRRO-QRVBRYPASA-N 2 2 326.444 1.950 10 0 EDAELP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000643962118 452873658 /nfs/dbraw/zinc/87/36/58/452873658.db2.gz NPUODNQTOJBRRO-QRVBRYPASA-N 2 2 326.444 1.950 10 0 EDAELP CC1CC[NH+](CCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173791003 528238498 /nfs/dbraw/zinc/23/84/98/528238498.db2.gz KZZNSMYEMZQGMI-KRWDZBQOSA-N 2 2 338.496 1.225 10 0 EDAELP CC[NH2+][C@@H](Cc1cncc(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000167917637 528391326 /nfs/dbraw/zinc/39/13/26/528391326.db2.gz KZOVNUJUILSZOC-LSDHHAIUSA-N 2 2 341.297 1.611 10 0 EDAELP CC[NH2+][C@@H](Cc1cncc(Br)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000167917637 528391329 /nfs/dbraw/zinc/39/13/29/528391329.db2.gz KZOVNUJUILSZOC-LSDHHAIUSA-N 2 2 341.297 1.611 10 0 EDAELP CC[NH2+][C@H](Cc1cncc(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000167917760 528424820 /nfs/dbraw/zinc/42/48/20/528424820.db2.gz KZOVNUJUILSZOC-HUUCEWRRSA-N 2 2 341.297 1.611 10 0 EDAELP CC[NH2+][C@H](Cc1cncc(Br)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000167917760 528424826 /nfs/dbraw/zinc/42/48/26/528424826.db2.gz KZOVNUJUILSZOC-HUUCEWRRSA-N 2 2 341.297 1.611 10 0 EDAELP Cc1cc(OCC(=O)N2CC[NH+](CCC[NH3+])CC2)cc(C)c1Cl ZINC000066142851 215016676 /nfs/dbraw/zinc/01/66/76/215016676.db2.gz JLMCTCWFAIIRAV-UHFFFAOYSA-N 2 2 339.867 1.829 10 0 EDAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171890991 284369689 /nfs/dbraw/zinc/36/96/89/284369689.db2.gz ZQRXRKLLJDFUND-QGZVFWFLSA-N 2 2 344.459 1.831 10 0 EDAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171890991 284369694 /nfs/dbraw/zinc/36/96/94/284369694.db2.gz ZQRXRKLLJDFUND-QGZVFWFLSA-N 2 2 344.459 1.831 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000245567128 139079629 /nfs/dbraw/zinc/07/96/29/139079629.db2.gz XLSYQOMYPYVWKW-CVEARBPZSA-N 2 2 347.463 1.022 10 0 EDAELP COCC[N@H+]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000245567128 139079630 /nfs/dbraw/zinc/07/96/30/139079630.db2.gz XLSYQOMYPYVWKW-CVEARBPZSA-N 2 2 347.463 1.022 10 0 EDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000246714211 139118353 /nfs/dbraw/zinc/11/83/53/139118353.db2.gz KXDBUILGVLUQCA-IKGGRYGDSA-N 2 2 345.487 1.347 10 0 EDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000246714211 139118354 /nfs/dbraw/zinc/11/83/54/139118354.db2.gz KXDBUILGVLUQCA-IKGGRYGDSA-N 2 2 345.487 1.347 10 0 EDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000246714211 139118355 /nfs/dbraw/zinc/11/83/55/139118355.db2.gz KXDBUILGVLUQCA-IKGGRYGDSA-N 2 2 345.487 1.347 10 0 EDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000246714211 139118356 /nfs/dbraw/zinc/11/83/56/139118356.db2.gz KXDBUILGVLUQCA-IKGGRYGDSA-N 2 2 345.487 1.347 10 0 EDAELP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261707152 139219334 /nfs/dbraw/zinc/21/93/34/139219334.db2.gz MCRXCYIGFYCGAM-WBVHZDCISA-N 2 2 333.476 1.938 10 0 EDAELP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261707152 139219335 /nfs/dbraw/zinc/21/93/35/139219335.db2.gz MCRXCYIGFYCGAM-WBVHZDCISA-N 2 2 333.476 1.938 10 0 EDAELP C[NH2+][C@H](Cc1cncc(Br)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000167916655 533011420 /nfs/dbraw/zinc/01/14/20/533011420.db2.gz JOMRAMVCLUBTEE-KGLIPLIRSA-N 2 2 327.270 1.220 10 0 EDAELP C[NH2+][C@H](Cc1cncc(Br)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000167916655 533011425 /nfs/dbraw/zinc/01/14/25/533011425.db2.gz JOMRAMVCLUBTEE-KGLIPLIRSA-N 2 2 327.270 1.220 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnn3ccccc23)nc[nH+]1 ZINC000171627091 533053219 /nfs/dbraw/zinc/05/32/19/533053219.db2.gz XQBRILMLAGPQKO-HNNXBMFYSA-N 2 2 337.431 1.925 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000117289364 221045421 /nfs/dbraw/zinc/04/54/21/221045421.db2.gz MFYHOHXVVBRWKE-CQSZACIVSA-N 2 2 329.404 1.060 10 0 EDAELP COCC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000117289364 221045422 /nfs/dbraw/zinc/04/54/22/221045422.db2.gz MFYHOHXVVBRWKE-CQSZACIVSA-N 2 2 329.404 1.060 10 0 EDAELP C[C@@H]1C[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000119491785 221332181 /nfs/dbraw/zinc/33/21/81/221332181.db2.gz GOJBMVGKADUMTM-ZBFHGGJFSA-N 2 2 339.505 1.567 10 0 EDAELP C[C@@H]1C[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000119491785 221332184 /nfs/dbraw/zinc/33/21/84/221332184.db2.gz GOJBMVGKADUMTM-ZBFHGGJFSA-N 2 2 339.505 1.567 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000247212082 286086973 /nfs/dbraw/zinc/08/69/73/286086973.db2.gz UQWMKLWENDQHJJ-YVSFHVDLSA-N 2 2 325.497 1.817 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000247212082 286086974 /nfs/dbraw/zinc/08/69/74/286086974.db2.gz UQWMKLWENDQHJJ-YVSFHVDLSA-N 2 2 325.497 1.817 10 0 EDAELP CCOCC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000247212082 286086975 /nfs/dbraw/zinc/08/69/75/286086975.db2.gz UQWMKLWENDQHJJ-YVSFHVDLSA-N 2 2 325.497 1.817 10 0 EDAELP CCOCC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000247212082 286086977 /nfs/dbraw/zinc/08/69/77/286086977.db2.gz UQWMKLWENDQHJJ-YVSFHVDLSA-N 2 2 325.497 1.817 10 0 EDAELP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000079252745 287298829 /nfs/dbraw/zinc/29/88/29/287298829.db2.gz FVUVPHYGTJGYNE-QGZVFWFLSA-N 2 2 348.491 1.481 10 0 EDAELP CC[C@@H](C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)[NH+](C)C ZINC000123688756 222317916 /nfs/dbraw/zinc/31/79/16/222317916.db2.gz ULLDBSCRBGNXBF-LSDHHAIUSA-N 2 2 339.505 1.920 10 0 EDAELP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000246710890 279044487 /nfs/dbraw/zinc/04/44/87/279044487.db2.gz KQUWJWCZYRJYGS-RYRKJORJSA-N 2 2 333.476 1.593 10 0 EDAELP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000246710890 279044488 /nfs/dbraw/zinc/04/44/88/279044488.db2.gz KQUWJWCZYRJYGS-RYRKJORJSA-N 2 2 333.476 1.593 10 0 EDAELP CC[NH+](C)[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000246710890 279044489 /nfs/dbraw/zinc/04/44/89/279044489.db2.gz KQUWJWCZYRJYGS-RYRKJORJSA-N 2 2 333.476 1.593 10 0 EDAELP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000246710890 279044490 /nfs/dbraw/zinc/04/44/90/279044490.db2.gz KQUWJWCZYRJYGS-RYRKJORJSA-N 2 2 333.476 1.593 10 0 EDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000245417812 279298667 /nfs/dbraw/zinc/29/86/67/279298667.db2.gz KMMKQIKMMQSHFN-OWCLPIDISA-N 2 2 326.485 1.221 10 0 EDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000245417812 279298670 /nfs/dbraw/zinc/29/86/70/279298670.db2.gz KMMKQIKMMQSHFN-OWCLPIDISA-N 2 2 326.485 1.221 10 0 EDAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000104789268 441210021 /nfs/dbraw/zinc/21/00/21/441210021.db2.gz IDXKNKMJIPRXCR-BRWVUGGUSA-N 2 2 340.512 1.374 10 0 EDAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000104789268 441210024 /nfs/dbraw/zinc/21/00/24/441210024.db2.gz IDXKNKMJIPRXCR-BRWVUGGUSA-N 2 2 340.512 1.374 10 0 EDAELP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000105863257 441294919 /nfs/dbraw/zinc/29/49/19/441294919.db2.gz OOFVDKWWWKWPLW-KRWDZBQOSA-N 2 2 347.507 1.538 10 0 EDAELP C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000105863257 441294921 /nfs/dbraw/zinc/29/49/21/441294921.db2.gz OOFVDKWWWKWPLW-KRWDZBQOSA-N 2 2 347.507 1.538 10 0 EDAELP CCCCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797741 441271920 /nfs/dbraw/zinc/27/19/20/441271920.db2.gz URGUVNNHAHSBHN-HUUCEWRRSA-N 2 2 348.495 1.772 10 0 EDAELP C[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000105874992 441304117 /nfs/dbraw/zinc/30/41/17/441304117.db2.gz JREJQXOHAYEHOF-ZACQAIPSSA-N 2 2 347.507 1.716 10 0 EDAELP C[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000105874992 441304123 /nfs/dbraw/zinc/30/41/23/441304123.db2.gz JREJQXOHAYEHOF-ZACQAIPSSA-N 2 2 347.507 1.716 10 0 EDAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H]1c1ccco1)[NH+]1CCOCC1 ZINC000116291030 441809472 /nfs/dbraw/zinc/80/94/72/441809472.db2.gz YDZISNCKYQMZMD-HNNXBMFYSA-N 2 2 335.448 1.644 10 0 EDAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@H]1c1ccco1)[NH+]1CCOCC1 ZINC000116291030 441809476 /nfs/dbraw/zinc/80/94/76/441809476.db2.gz YDZISNCKYQMZMD-HNNXBMFYSA-N 2 2 335.448 1.644 10 0 EDAELP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N1CCOCC1 ZINC000123519874 441890230 /nfs/dbraw/zinc/89/02/30/441890230.db2.gz UUZIMHJNDMZGFV-LMMKCTJWSA-N 2 2 332.492 1.602 10 0 EDAELP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N1CCOCC1 ZINC000123519874 441890238 /nfs/dbraw/zinc/89/02/38/441890238.db2.gz UUZIMHJNDMZGFV-LMMKCTJWSA-N 2 2 332.492 1.602 10 0 EDAELP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175813212 442128233 /nfs/dbraw/zinc/12/82/33/442128233.db2.gz RTWVJHDXEMPADS-DOTOQJQBSA-N 2 2 349.479 1.334 10 0 EDAELP C[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000177230395 442316668 /nfs/dbraw/zinc/31/66/68/442316668.db2.gz KJWAJXFGPJFIPF-CRAIPNDOSA-N 2 2 346.475 1.933 10 0 EDAELP CC[NH+](CC)CCC[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000191785987 442510938 /nfs/dbraw/zinc/51/09/38/442510938.db2.gz WENJMUYRRUWZQX-UHFFFAOYSA-N 2 2 345.495 1.526 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC[N@@H+]1C[C@H](C)O ZINC000246761056 442811202 /nfs/dbraw/zinc/81/12/02/442811202.db2.gz HTYYXUWLGISBHB-QXAKKESOSA-N 2 2 347.503 1.983 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC[N@H+]1C[C@H](C)O ZINC000246761056 442811206 /nfs/dbraw/zinc/81/12/06/442811206.db2.gz HTYYXUWLGISBHB-QXAKKESOSA-N 2 2 347.503 1.983 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC[NH+]1C[C@H](C)O ZINC000246761056 442811209 /nfs/dbraw/zinc/81/12/09/442811209.db2.gz HTYYXUWLGISBHB-QXAKKESOSA-N 2 2 347.503 1.983 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC[NH+]1C[C@H](C)O ZINC000246761056 442811214 /nfs/dbraw/zinc/81/12/14/442811214.db2.gz HTYYXUWLGISBHB-QXAKKESOSA-N 2 2 347.503 1.983 10 0 EDAELP CC(C)[N@H+](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@@H](C)C1 ZINC000247010145 442828038 /nfs/dbraw/zinc/82/80/38/442828038.db2.gz RMNBSXQQLCWHRS-LSDHHAIUSA-N 2 2 339.505 1.966 10 0 EDAELP CC(C)[N@@H+](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@@H](C)C1 ZINC000247010145 442828041 /nfs/dbraw/zinc/82/80/41/442828041.db2.gz RMNBSXQQLCWHRS-LSDHHAIUSA-N 2 2 339.505 1.966 10 0 EDAELP CC(C)[NH+](C)CC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000247010145 442828045 /nfs/dbraw/zinc/82/80/45/442828045.db2.gz RMNBSXQQLCWHRS-LSDHHAIUSA-N 2 2 339.505 1.966 10 0 EDAELP CC(C)[NH+](C)CC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000247010145 442828050 /nfs/dbraw/zinc/82/80/50/442828050.db2.gz RMNBSXQQLCWHRS-LSDHHAIUSA-N 2 2 339.505 1.966 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000247400393 442851620 /nfs/dbraw/zinc/85/16/20/442851620.db2.gz YICMHFCCRAHTAT-IXDOHACOSA-N 2 2 337.464 1.639 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000247400393 442851626 /nfs/dbraw/zinc/85/16/26/442851626.db2.gz YICMHFCCRAHTAT-IXDOHACOSA-N 2 2 337.464 1.639 10 0 EDAELP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)[C@H]3CCCO3)CC2)c1 ZINC000183121729 442884213 /nfs/dbraw/zinc/88/42/13/442884213.db2.gz CJNVATJZLCTKMI-IEBWSBKVSA-N 2 2 345.487 1.796 10 0 EDAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000183394341 442927810 /nfs/dbraw/zinc/92/78/10/442927810.db2.gz SSPBQPOPXXWUIK-QGZVFWFLSA-N 2 2 348.495 1.672 10 0 EDAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(C3CC3)n2C)[C@@H](C)C1 ZINC000249405710 442972630 /nfs/dbraw/zinc/97/26/30/442972630.db2.gz CZMLDRLWSWUMJX-HOCLYGCPSA-N 2 2 335.496 1.919 10 0 EDAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc(C3CC3)n2C)[C@@H](C)C1 ZINC000249405710 442972631 /nfs/dbraw/zinc/97/26/31/442972631.db2.gz CZMLDRLWSWUMJX-HOCLYGCPSA-N 2 2 335.496 1.919 10 0 EDAELP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631843398 450812765 /nfs/dbraw/zinc/81/27/65/450812765.db2.gz NDQQUIKVMIHKGI-QWRGUYRKSA-N 2 2 326.238 1.914 10 0 EDAELP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631843398 450812770 /nfs/dbraw/zinc/81/27/70/450812770.db2.gz NDQQUIKVMIHKGI-QWRGUYRKSA-N 2 2 326.238 1.914 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000662741194 453466919 /nfs/dbraw/zinc/46/69/19/453466919.db2.gz DIXSCJHJWBKCGZ-OKZBNKHCSA-N 2 2 330.476 1.046 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000662741194 453466922 /nfs/dbraw/zinc/46/69/22/453466922.db2.gz DIXSCJHJWBKCGZ-OKZBNKHCSA-N 2 2 330.476 1.046 10 0 EDAELP CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000187339068 528541907 /nfs/dbraw/zinc/54/19/07/528541907.db2.gz LOZXFQUMKONPCM-OAHLLOKOSA-N 2 2 345.447 1.547 10 0 EDAELP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000187339068 528541911 /nfs/dbraw/zinc/54/19/11/528541911.db2.gz LOZXFQUMKONPCM-OAHLLOKOSA-N 2 2 345.447 1.547 10 0 EDAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249913594 535161729 /nfs/dbraw/zinc/16/17/29/535161729.db2.gz WRHPIOPHEIZXQB-CABCVRRESA-N 2 2 347.463 1.686 10 0 EDAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249913594 535161734 /nfs/dbraw/zinc/16/17/34/535161734.db2.gz WRHPIOPHEIZXQB-CABCVRRESA-N 2 2 347.463 1.686 10 0 EDAELP C[C@@H](C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000262389758 295713018 /nfs/dbraw/zinc/71/30/18/295713018.db2.gz OBPYDIXMCOLNHZ-DLBZAZTESA-N 2 2 345.487 1.591 10 0 EDAELP CN(c1[nH+]cnc(-n2cnc3ccccc32)c1N)C1CC[NH+](C)CC1 ZINC000040800793 213388994 /nfs/dbraw/zinc/38/89/94/213388994.db2.gz PLINZQPTATZXJO-UHFFFAOYSA-N 2 2 337.431 1.928 10 0 EDAELP C[N@H+](CCCNC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CCCCC1 ZINC000104779743 138300545 /nfs/dbraw/zinc/30/05/45/138300545.db2.gz DQWGZDWNZMGKJL-MRXNPFEDSA-N 2 2 326.485 1.271 10 0 EDAELP C[N@@H+](CCCNC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CCCCC1 ZINC000104779743 138300546 /nfs/dbraw/zinc/30/05/46/138300546.db2.gz DQWGZDWNZMGKJL-MRXNPFEDSA-N 2 2 326.485 1.271 10 0 EDAELP C[NH+](CCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000104779743 138300547 /nfs/dbraw/zinc/30/05/47/138300547.db2.gz DQWGZDWNZMGKJL-MRXNPFEDSA-N 2 2 326.485 1.271 10 0 EDAELP C[NH+](CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000104779743 138300548 /nfs/dbraw/zinc/30/05/48/138300548.db2.gz DQWGZDWNZMGKJL-MRXNPFEDSA-N 2 2 326.485 1.271 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000247127315 139136613 /nfs/dbraw/zinc/13/66/13/139136613.db2.gz SAGFKCCQWHTMQJ-STQMWFEESA-N 2 2 330.354 1.819 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000247127315 139136614 /nfs/dbraw/zinc/13/66/14/139136614.db2.gz SAGFKCCQWHTMQJ-STQMWFEESA-N 2 2 330.354 1.819 10 0 EDAELP CN(C)c1ncc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000091551354 218021579 /nfs/dbraw/zinc/02/15/79/218021579.db2.gz DQZMEFRQMRRPME-IAGOWNOFSA-N 2 2 333.480 1.069 10 0 EDAELP CN(C)c1ncc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000091551354 218021580 /nfs/dbraw/zinc/02/15/80/218021580.db2.gz DQZMEFRQMRRPME-IAGOWNOFSA-N 2 2 333.480 1.069 10 0 EDAELP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261724764 139220884 /nfs/dbraw/zinc/22/08/84/139220884.db2.gz JNGIPOGREVXBBE-INIZCTEOSA-N 2 2 335.448 1.379 10 0 EDAELP COc1ccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261724764 139220885 /nfs/dbraw/zinc/22/08/85/139220885.db2.gz JNGIPOGREVXBBE-INIZCTEOSA-N 2 2 335.448 1.379 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000117285656 221044394 /nfs/dbraw/zinc/04/43/94/221044394.db2.gz TXLOFZCNVMTWCO-MJGOQNOKSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000117285656 221044396 /nfs/dbraw/zinc/04/43/96/221044396.db2.gz TXLOFZCNVMTWCO-MJGOQNOKSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000117285656 221044397 /nfs/dbraw/zinc/04/43/97/221044397.db2.gz TXLOFZCNVMTWCO-MJGOQNOKSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000117285656 221044399 /nfs/dbraw/zinc/04/43/99/221044399.db2.gz TXLOFZCNVMTWCO-MJGOQNOKSA-N 2 2 345.487 1.830 10 0 EDAELP Cc1cc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc(C)[nH+]1 ZINC000333631172 141347917 /nfs/dbraw/zinc/34/79/17/141347917.db2.gz AWFFYTPSVOLFMR-NVXWUHKLSA-N 2 2 332.448 1.703 10 0 EDAELP [NH3+][C@@H](CC[N@@H+]1CCOC[C@@H]1CO)c1cccc(Br)c1 ZINC000168988254 226229050 /nfs/dbraw/zinc/22/90/50/226229050.db2.gz YLBQMQNHVJVQHR-KBPBESRZSA-N 2 2 329.238 1.532 10 0 EDAELP [NH3+][C@@H](CC[N@H+]1CCOC[C@@H]1CO)c1cccc(Br)c1 ZINC000168988254 226229055 /nfs/dbraw/zinc/22/90/55/226229055.db2.gz YLBQMQNHVJVQHR-KBPBESRZSA-N 2 2 329.238 1.532 10 0 EDAELP CCC[C@H](C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000179109959 276037379 /nfs/dbraw/zinc/03/73/79/276037379.db2.gz AXOPUVSSCLMKKX-QZTJIDSGSA-N 2 2 333.476 1.595 10 0 EDAELP CCCC[C@H](NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC ZINC000173333145 441716130 /nfs/dbraw/zinc/71/61/30/441716130.db2.gz XJTROKHZVCVTRW-KBPBESRZSA-N 2 2 335.452 1.809 10 0 EDAELP CCCC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC ZINC000173333145 441716139 /nfs/dbraw/zinc/71/61/39/441716139.db2.gz XJTROKHZVCVTRW-KBPBESRZSA-N 2 2 335.452 1.809 10 0 EDAELP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173775568 441838157 /nfs/dbraw/zinc/83/81/57/441838157.db2.gz SGXQNAJCVVGYCU-GOSISDBHSA-N 2 2 346.475 1.364 10 0 EDAELP CCC[C@@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[NH+](C)C ZINC000161732456 442028083 /nfs/dbraw/zinc/02/80/83/442028083.db2.gz OPAOSQLUTKOMRK-GOEBONIOSA-N 2 2 329.510 1.041 10 0 EDAELP COCC[N@H+](C)CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176440342 442222817 /nfs/dbraw/zinc/22/28/17/442222817.db2.gz IRRWRYAPQWVHSX-OAHLLOKOSA-N 2 2 345.447 1.811 10 0 EDAELP COCC[N@@H+](C)CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176440342 442222820 /nfs/dbraw/zinc/22/28/20/442222820.db2.gz IRRWRYAPQWVHSX-OAHLLOKOSA-N 2 2 345.447 1.811 10 0 EDAELP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000170826693 442269348 /nfs/dbraw/zinc/26/93/48/442269348.db2.gz ROKHBTPOVBKWRA-SFHVURJKSA-N 2 2 346.475 1.364 10 0 EDAELP C[NH+](C)C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000171097774 442311151 /nfs/dbraw/zinc/31/11/51/442311151.db2.gz LYXTVGVAJNVPJT-QGZVFWFLSA-N 2 2 348.491 1.699 10 0 EDAELP C[NH+](C)C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000171097774 442311154 /nfs/dbraw/zinc/31/11/54/442311154.db2.gz LYXTVGVAJNVPJT-QGZVFWFLSA-N 2 2 348.491 1.699 10 0 EDAELP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637195 442911439 /nfs/dbraw/zinc/91/14/39/442911439.db2.gz ABMGHMUXUBSQGC-AEFFLSMTSA-N 2 2 348.491 1.377 10 0 EDAELP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637195 442911442 /nfs/dbraw/zinc/91/14/42/442911442.db2.gz ABMGHMUXUBSQGC-AEFFLSMTSA-N 2 2 348.491 1.377 10 0 EDAELP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248637195 442911446 /nfs/dbraw/zinc/91/14/46/442911446.db2.gz ABMGHMUXUBSQGC-AEFFLSMTSA-N 2 2 348.491 1.377 10 0 EDAELP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248637195 442911448 /nfs/dbraw/zinc/91/14/48/442911448.db2.gz ABMGHMUXUBSQGC-AEFFLSMTSA-N 2 2 348.491 1.377 10 0 EDAELP CO[C@H]1C[C@@H](C(=O)N2CCN(c3cc[nH+]cc3Cl)CC2)[N@H+](C)C1 ZINC000583620068 448451089 /nfs/dbraw/zinc/45/10/89/448451089.db2.gz RVGYSCZAACASRC-WFASDCNBSA-N 2 2 338.839 1.103 10 0 EDAELP CO[C@H]1C[C@@H](C(=O)N2CCN(c3cc[nH+]cc3Cl)CC2)[N@@H+](C)C1 ZINC000583620068 448451093 /nfs/dbraw/zinc/45/10/93/448451093.db2.gz RVGYSCZAACASRC-WFASDCNBSA-N 2 2 338.839 1.103 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000662941281 453617295 /nfs/dbraw/zinc/61/72/95/453617295.db2.gz VKMMRXCRDNRFMK-ACBHZAAOSA-N 2 2 344.503 1.436 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000662941281 453617297 /nfs/dbraw/zinc/61/72/97/453617297.db2.gz VKMMRXCRDNRFMK-ACBHZAAOSA-N 2 2 344.503 1.436 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000246926028 535601245 /nfs/dbraw/zinc/60/12/45/535601245.db2.gz BMFVAAVKNZDQPO-HKUYNNGSSA-N 2 2 347.503 1.729 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000246926028 535601249 /nfs/dbraw/zinc/60/12/49/535601249.db2.gz BMFVAAVKNZDQPO-HKUYNNGSSA-N 2 2 347.503 1.729 10 0 EDAELP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000081482103 138266689 /nfs/dbraw/zinc/26/66/89/138266689.db2.gz OYSIGEZSDRZYLS-YOEHRIQHSA-N 2 2 328.416 1.770 10 0 EDAELP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000081482103 138266690 /nfs/dbraw/zinc/26/66/90/138266690.db2.gz OYSIGEZSDRZYLS-YOEHRIQHSA-N 2 2 328.416 1.770 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000105279937 138301238 /nfs/dbraw/zinc/30/12/38/138301238.db2.gz IQXPVRGDLDFDTL-KRWDZBQOSA-N 2 2 338.496 1.225 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000105279937 138301239 /nfs/dbraw/zinc/30/12/39/138301239.db2.gz IQXPVRGDLDFDTL-KRWDZBQOSA-N 2 2 338.496 1.225 10 0 EDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000195293490 139012703 /nfs/dbraw/zinc/01/27/03/139012703.db2.gz PIBQNUTUDCICHQ-MSOLQXFVSA-N 2 2 329.448 1.093 10 0 EDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000195293490 139012704 /nfs/dbraw/zinc/01/27/04/139012704.db2.gz PIBQNUTUDCICHQ-MSOLQXFVSA-N 2 2 329.448 1.093 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000195293490 139012705 /nfs/dbraw/zinc/01/27/05/139012705.db2.gz PIBQNUTUDCICHQ-MSOLQXFVSA-N 2 2 329.448 1.093 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000195293490 139012706 /nfs/dbraw/zinc/01/27/06/139012706.db2.gz PIBQNUTUDCICHQ-MSOLQXFVSA-N 2 2 329.448 1.093 10 0 EDAELP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000111452889 220156887 /nfs/dbraw/zinc/15/68/87/220156887.db2.gz GKMBKRPBHQNUPD-IRXDYDNUSA-N 2 2 348.491 1.527 10 0 EDAELP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000111452889 220156888 /nfs/dbraw/zinc/15/68/88/220156888.db2.gz GKMBKRPBHQNUPD-IRXDYDNUSA-N 2 2 348.491 1.527 10 0 EDAELP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000247039651 139132651 /nfs/dbraw/zinc/13/26/51/139132651.db2.gz DRBTYRMFQGVGPP-RRFJBIMHSA-N 2 2 348.495 1.770 10 0 EDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCNC(=O)[C@H]3C)c2cc1C ZINC000249000602 139182838 /nfs/dbraw/zinc/18/28/38/139182838.db2.gz HIMINLJLAYJOOU-HUUCEWRRSA-N 2 2 330.432 1.224 10 0 EDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCNC(=O)[C@H]3C)c2cc1C ZINC000249000602 139182839 /nfs/dbraw/zinc/18/28/39/139182839.db2.gz HIMINLJLAYJOOU-HUUCEWRRSA-N 2 2 330.432 1.224 10 0 EDAELP COc1cc(OC)cc(N2CC[C@@H]([N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)c1 ZINC000261703155 139219107 /nfs/dbraw/zinc/21/91/07/139219107.db2.gz IGQLLOOIUJPDKO-IAGOWNOFSA-N 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/nfs/dbraw/zinc/31/21/48/441312148.db2.gz ZZYSORSTIHRKBE-AWEZNQCLSA-N 2 2 335.452 1.708 10 0 EDAELP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173908695 441859954 /nfs/dbraw/zinc/85/99/54/441859954.db2.gz BDEKJOJWKNVHAK-IRXDYDNUSA-N 2 2 338.496 1.223 10 0 EDAELP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173908695 441859961 /nfs/dbraw/zinc/85/99/61/441859961.db2.gz BDEKJOJWKNVHAK-IRXDYDNUSA-N 2 2 338.496 1.223 10 0 EDAELP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000079689754 442077540 /nfs/dbraw/zinc/07/75/40/442077540.db2.gz RNHSGAWPVZKKEW-CVEARBPZSA-N 2 2 326.485 1.128 10 0 EDAELP CNC(=O)Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000177589983 442360534 /nfs/dbraw/zinc/36/05/34/442360534.db2.gz GIFQKZPXRRNLAH-CYBMUJFWSA-N 2 2 345.472 1.761 10 0 EDAELP CNC(=O)Cc1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000177589983 442360535 /nfs/dbraw/zinc/36/05/35/442360535.db2.gz GIFQKZPXRRNLAH-CYBMUJFWSA-N 2 2 345.472 1.761 10 0 EDAELP Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2=O)n(C)n1 ZINC000179428711 442456517 /nfs/dbraw/zinc/45/65/17/442456517.db2.gz FIZQLYRVYFCLSO-HNNXBMFYSA-N 2 2 338.415 1.661 10 0 EDAELP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180564621 442623195 /nfs/dbraw/zinc/62/31/95/442623195.db2.gz RUUXJEAOBTWMAG-LSDHHAIUSA-N 2 2 348.495 1.724 10 0 EDAELP CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1cnn(C)c1 ZINC000180575440 442625698 /nfs/dbraw/zinc/62/56/98/442625698.db2.gz NXIKGJBPFKSYTD-HUUCEWRRSA-N 2 2 329.452 1.962 10 0 EDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCCCC2)C1 ZINC000195273010 443003394 /nfs/dbraw/zinc/00/33/94/443003394.db2.gz QVJIJQVWGCRONV-SFHVURJKSA-N 2 2 330.476 1.848 10 0 EDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCCCC2)C1 ZINC000195273010 443003397 /nfs/dbraw/zinc/00/33/97/443003397.db2.gz QVJIJQVWGCRONV-SFHVURJKSA-N 2 2 330.476 1.848 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000195273010 443003401 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1.267 10 0 EDAELP COC[C@]1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000638447368 451520487 /nfs/dbraw/zinc/52/04/87/451520487.db2.gz DDDTVTCPTKIYOI-APWZRJJASA-N 2 2 331.460 1.488 10 0 EDAELP COC[C@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000638447368 451520493 /nfs/dbraw/zinc/52/04/93/451520493.db2.gz DDDTVTCPTKIYOI-APWZRJJASA-N 2 2 331.460 1.488 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H]1CC ZINC000168090143 528746625 /nfs/dbraw/zinc/74/66/25/528746625.db2.gz OXRDXFNLKUKAEH-MJGOQNOKSA-N 2 2 345.487 1.833 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H]1CC ZINC000168090143 528746630 /nfs/dbraw/zinc/74/66/30/528746630.db2.gz OXRDXFNLKUKAEH-MJGOQNOKSA-N 2 2 345.487 1.833 10 0 EDAELP Cc1ccc(CNc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)cc1 ZINC000040756929 213383355 /nfs/dbraw/zinc/38/33/55/213383355.db2.gz WYKZNUAYCLZXKQ-UHFFFAOYSA-N 2 2 327.436 1.554 10 0 EDAELP CCc1nn(C)cc1C[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180126878 540120848 /nfs/dbraw/zinc/12/08/48/540120848.db2.gz CYDYZNXIYLQQIO-CQSZACIVSA-N 2 2 329.452 1.573 10 0 EDAELP C[NH+](C)CCN1C[C@@]2(CCCN(c3cc[nH+]cc3F)C2)CCC1=O ZINC000072429981 216221836 /nfs/dbraw/zinc/22/18/36/216221836.db2.gz OUTAOLUWRKQKMC-SFHVURJKSA-N 2 2 334.439 1.991 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccnn3C)CC2)CC1 ZINC000195503269 139018291 /nfs/dbraw/zinc/01/82/91/139018291.db2.gz FRLXWVAGTITYRV-OAHLLOKOSA-N 2 2 333.480 1.152 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000246993337 139130303 /nfs/dbraw/zinc/13/03/03/139130303.db2.gz YOBOBRMZMYVIPW-NVXWUHKLSA-N 2 2 332.448 1.087 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000246993337 139130304 /nfs/dbraw/zinc/13/03/04/139130304.db2.gz YOBOBRMZMYVIPW-NVXWUHKLSA-N 2 2 332.448 1.087 10 0 EDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000247378087 139146367 /nfs/dbraw/zinc/14/63/67/139146367.db2.gz POMPQDCOTUFLNZ-GOEBONIOSA-N 2 2 329.448 1.905 10 0 EDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000247378087 139146368 /nfs/dbraw/zinc/14/63/68/139146368.db2.gz POMPQDCOTUFLNZ-GOEBONIOSA-N 2 2 329.448 1.905 10 0 EDAELP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261674261 139216383 /nfs/dbraw/zinc/21/63/83/139216383.db2.gz JJWIPKRHCVXVNQ-DYVFJYSZSA-N 2 2 349.475 1.768 10 0 EDAELP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261674261 139216384 /nfs/dbraw/zinc/21/63/84/139216384.db2.gz JJWIPKRHCVXVNQ-DYVFJYSZSA-N 2 2 349.475 1.768 10 0 EDAELP O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1C[NH2+]C1 ZINC000263297611 139334102 /nfs/dbraw/zinc/33/41/02/139334102.db2.gz MQOYTIIYSNQVFG-AWEZNQCLSA-N 2 2 325.815 1.779 10 0 EDAELP O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1C[NH2+]C1 ZINC000263297611 139334103 /nfs/dbraw/zinc/33/41/03/139334103.db2.gz MQOYTIIYSNQVFG-AWEZNQCLSA-N 2 2 325.815 1.779 10 0 EDAELP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000333194906 141279080 /nfs/dbraw/zinc/27/90/80/141279080.db2.gz PGQHARUDFNBJST-RRFJBIMHSA-N 2 2 335.452 1.469 10 0 EDAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105283009 441248331 /nfs/dbraw/zinc/24/83/31/441248331.db2.gz VCBMDDIKLOKLIL-KRWDZBQOSA-N 2 2 334.464 1.090 10 0 EDAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105283009 441248332 /nfs/dbraw/zinc/24/83/32/441248332.db2.gz VCBMDDIKLOKLIL-KRWDZBQOSA-N 2 2 334.464 1.090 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)NCC(C)C)nc[nH+]1 ZINC000105797691 441271899 /nfs/dbraw/zinc/27/18/99/441271899.db2.gz FAEHQFNAYWLZHZ-UONOGXRCSA-N 2 2 334.468 1.237 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)NCCC(C)C)nc[nH+]1 ZINC000105797756 441271909 /nfs/dbraw/zinc/27/19/09/441271909.db2.gz BTVQWKNDCXKZQA-LSDHHAIUSA-N 2 2 348.495 1.628 10 0 EDAELP C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1F ZINC000115696377 441770198 /nfs/dbraw/zinc/77/01/98/441770198.db2.gz ODZAYIUXJQRXCZ-HNNXBMFYSA-N 2 2 338.427 1.017 10 0 EDAELP C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1F ZINC000115696377 441770200 /nfs/dbraw/zinc/77/02/00/441770200.db2.gz ODZAYIUXJQRXCZ-HNNXBMFYSA-N 2 2 338.427 1.017 10 0 EDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171012876 442299182 /nfs/dbraw/zinc/29/91/82/442299182.db2.gz CKJMEYRQKWEKMB-OAHLLOKOSA-N 2 2 328.501 1.373 10 0 EDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171012876 442299185 /nfs/dbraw/zinc/29/91/85/442299185.db2.gz CKJMEYRQKWEKMB-OAHLLOKOSA-N 2 2 328.501 1.373 10 0 EDAELP C[C@@H]1CCCN(c2cc(N3CC[NH+](CC(C)(C)O)CC3)nc[nH+]2)C1 ZINC000171910843 442390404 /nfs/dbraw/zinc/39/04/04/442390404.db2.gz BUSJRIWHZOYURO-OAHLLOKOSA-N 2 2 333.480 1.606 10 0 EDAELP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000179397302 442640673 /nfs/dbraw/zinc/64/06/73/442640673.db2.gz UQURTHOMUIFGEW-MSOLQXFVSA-N 2 2 333.476 1.074 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nccnc2C)nc[nH+]1 ZINC000188181593 442721088 /nfs/dbraw/zinc/72/10/88/442721088.db2.gz LDBXLZQXIPRHTC-KGLIPLIRSA-N 2 2 327.436 1.936 10 0 EDAELP CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000184949068 443104800 /nfs/dbraw/zinc/10/48/00/443104800.db2.gz NHXGNDXTNAGXHT-MSOLQXFVSA-N 2 2 346.475 1.006 10 0 EDAELP CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000184949068 443104802 /nfs/dbraw/zinc/10/48/02/443104802.db2.gz NHXGNDXTNAGXHT-MSOLQXFVSA-N 2 2 346.475 1.006 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662741196 453466137 /nfs/dbraw/zinc/46/61/37/453466137.db2.gz DIXSCJHJWBKCGZ-RCCFBDPRSA-N 2 2 330.476 1.046 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662741196 453466145 /nfs/dbraw/zinc/46/61/45/453466145.db2.gz DIXSCJHJWBKCGZ-RCCFBDPRSA-N 2 2 330.476 1.046 10 0 EDAELP CCC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000246208164 535262712 /nfs/dbraw/zinc/26/27/12/535262712.db2.gz OJDICPADBHIIRP-HOTGVXAUSA-N 2 2 333.480 1.606 10 0 EDAELP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000246208164 535262717 /nfs/dbraw/zinc/26/27/17/535262717.db2.gz OJDICPADBHIIRP-HOTGVXAUSA-N 2 2 333.480 1.606 10 0 EDAELP CCC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000246208164 535262723 /nfs/dbraw/zinc/26/27/23/535262723.db2.gz OJDICPADBHIIRP-HOTGVXAUSA-N 2 2 333.480 1.606 10 0 EDAELP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000246208164 535262726 /nfs/dbraw/zinc/26/27/26/535262726.db2.gz OJDICPADBHIIRP-HOTGVXAUSA-N 2 2 333.480 1.606 10 0 EDAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249873719 535275986 /nfs/dbraw/zinc/27/59/86/535275986.db2.gz KXOIDVZHXXYGOJ-KBPBESRZSA-N 2 2 333.436 1.438 10 0 EDAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249873719 535275993 /nfs/dbraw/zinc/27/59/93/535275993.db2.gz KXOIDVZHXXYGOJ-KBPBESRZSA-N 2 2 333.436 1.438 10 0 EDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246561175 535874786 /nfs/dbraw/zinc/87/47/86/535874786.db2.gz ZAAAPQKROKODNE-YYIAUSFCSA-N 2 2 338.496 1.364 10 0 EDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246561175 535874792 /nfs/dbraw/zinc/87/47/92/535874792.db2.gz ZAAAPQKROKODNE-YYIAUSFCSA-N 2 2 338.496 1.364 10 0 EDAELP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261665273 535952919 /nfs/dbraw/zinc/95/29/19/535952919.db2.gz IPOXGCDTFUKAPA-MRXNPFEDSA-N 2 2 346.475 1.363 10 0 EDAELP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261665273 535952924 /nfs/dbraw/zinc/95/29/24/535952924.db2.gz IPOXGCDTFUKAPA-MRXNPFEDSA-N 2 2 346.475 1.363 10 0 EDAELP CC(C)n1cc([C@H]2OCC[C@@H]2[NH2+]Cc2c[nH+]c(N(C)C)n2C)cn1 ZINC000888075944 590929614 /nfs/dbraw/zinc/92/96/14/590929614.db2.gz CUBPNZDFJXTIJO-JKSUJKDBSA-N 2 2 332.452 1.883 10 0 EDAELP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@@H]([NH+]3CCOCC3)[C@H]1C)C2 ZINC000329590911 282175981 /nfs/dbraw/zinc/17/59/81/282175981.db2.gz TYTYLMJGAWUPNK-FRFSOERESA-N 2 2 332.448 1.076 10 0 EDAELP CN1C(=O)CCc2cc(C[NH2+]C[C@H](O)C[NH+]3CCCCC3)ccc21 ZINC000187158564 530043346 /nfs/dbraw/zinc/04/33/46/530043346.db2.gz AMVDJMJSTWCKSM-KRWDZBQOSA-N 2 2 331.460 1.532 10 0 EDAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3ccc(Cl)cn3)c2N)CC1 ZINC000040756871 213383485 /nfs/dbraw/zinc/38/34/85/213383485.db2.gz LPEBJBWDCDIURA-UHFFFAOYSA-N 2 2 334.815 1.425 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000105278898 138301257 /nfs/dbraw/zinc/30/12/57/138301257.db2.gz CIPYBQMLUDGZTC-OAHLLOKOSA-N 2 2 326.485 1.080 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000105278898 138301258 /nfs/dbraw/zinc/30/12/58/138301258.db2.gz CIPYBQMLUDGZTC-OAHLLOKOSA-N 2 2 326.485 1.080 10 0 EDAELP O=C(NCC[NH+]1CCCC1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000021158610 212212403 /nfs/dbraw/zinc/21/24/03/212212403.db2.gz HFAROQIDQWSHKI-UHFFFAOYSA-N 2 2 341.459 1.991 10 0 EDAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261731412 139221499 /nfs/dbraw/zinc/22/14/99/139221499.db2.gz JXWMIMQMANRKQQ-OAGGEKHMSA-N 2 2 325.497 1.757 10 0 EDAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261731412 139221500 /nfs/dbraw/zinc/22/15/00/139221500.db2.gz JXWMIMQMANRKQQ-OAGGEKHMSA-N 2 2 325.497 1.757 10 0 EDAELP C1C[C@H](c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)[NH+](C2CCOCC2)C1 ZINC000333504789 141328126 /nfs/dbraw/zinc/32/81/26/141328126.db2.gz WOWRKNQNWDOMMV-OAGGEKHMSA-N 2 2 348.447 1.921 10 0 EDAELP C1C[C@H](c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)[NH+](C2CCOCC2)C1 ZINC000333504789 141328127 /nfs/dbraw/zinc/32/81/27/141328127.db2.gz WOWRKNQNWDOMMV-OAGGEKHMSA-N 2 2 348.447 1.921 10 0 EDAELP C1C[C@@H]2CO[C@H](c3noc([C@H]4CCC[N@@H+]4C4CCOCC4)n3)C[NH+]2C1 ZINC000333504789 141328128 /nfs/dbraw/zinc/32/81/28/141328128.db2.gz WOWRKNQNWDOMMV-OAGGEKHMSA-N 2 2 348.447 1.921 10 0 EDAELP C1C[C@@H]2CO[C@H](c3noc([C@H]4CCC[N@H+]4C4CCOCC4)n3)C[NH+]2C1 ZINC000333504789 141328130 /nfs/dbraw/zinc/32/81/30/141328130.db2.gz WOWRKNQNWDOMMV-OAGGEKHMSA-N 2 2 348.447 1.921 10 0 EDAELP NC(=O)C1CC[NH+](CCC[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000071809780 303239734 /nfs/dbraw/zinc/23/97/34/303239734.db2.gz QPFIPHZEWJTFDJ-UHFFFAOYSA-N 2 2 347.459 1.525 10 0 EDAELP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863385 441294708 /nfs/dbraw/zinc/29/47/08/441294708.db2.gz LUKUAWNSCQTQOF-INIZCTEOSA-N 2 2 349.523 1.973 10 0 EDAELP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863385 441294713 /nfs/dbraw/zinc/29/47/13/441294713.db2.gz LUKUAWNSCQTQOF-INIZCTEOSA-N 2 2 349.523 1.973 10 0 EDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCCCO3)CC2)C1 ZINC000105845523 441292455 /nfs/dbraw/zinc/29/24/55/441292455.db2.gz QZRNBTXTSJLSPK-ROUUACIJSA-N 2 2 325.497 1.282 10 0 EDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCCCO3)CC2)C1 ZINC000105845523 441292457 /nfs/dbraw/zinc/29/24/57/441292457.db2.gz QZRNBTXTSJLSPK-ROUUACIJSA-N 2 2 325.497 1.282 10 0 EDAELP C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000107832580 441431726 /nfs/dbraw/zinc/43/17/26/441431726.db2.gz JIQXRAIKLLFVEX-IAGOWNOFSA-N 2 2 338.496 1.367 10 0 EDAELP C[C@H]1CCCN(c2cc(NC[C@H](O)C[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000174686548 441953243 /nfs/dbraw/zinc/95/32/43/441953243.db2.gz SQSOPCWABBWUBG-HOTGVXAUSA-N 2 2 333.480 1.972 10 0 EDAELP C[C@H]1CCCN(c2cc(NC[C@H](O)C[NH+]3CCCCC3)[nH+]cn2)C1 ZINC000174686548 441953249 /nfs/dbraw/zinc/95/32/49/441953249.db2.gz SQSOPCWABBWUBG-HOTGVXAUSA-N 2 2 333.480 1.972 10 0 EDAELP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000161716634 442027283 /nfs/dbraw/zinc/02/72/83/442027283.db2.gz ANMXPQRQBJYDTC-INIZCTEOSA-N 2 2 326.485 1.080 10 0 EDAELP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000161716634 442027290 /nfs/dbraw/zinc/02/72/90/442027290.db2.gz ANMXPQRQBJYDTC-INIZCTEOSA-N 2 2 326.485 1.080 10 0 EDAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000121163880 442185907 /nfs/dbraw/zinc/18/59/07/442185907.db2.gz WHZXVCMOIYJWCN-ROUUACIJSA-N 2 2 331.460 1.349 10 0 EDAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000121163880 442185910 /nfs/dbraw/zinc/18/59/10/442185910.db2.gz WHZXVCMOIYJWCN-ROUUACIJSA-N 2 2 331.460 1.349 10 0 EDAELP CC[NH+](CC)CCC[NH+]1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000191783782 442510728 /nfs/dbraw/zinc/51/07/28/442510728.db2.gz VKQMYZKAPHNJSP-UHFFFAOYSA-N 2 2 331.468 1.287 10 0 EDAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247391557 442851102 /nfs/dbraw/zinc/85/11/02/442851102.db2.gz QLSUNMDRJAJBSP-DLBZAZTESA-N 2 2 338.496 1.080 10 0 EDAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247391557 442851106 /nfs/dbraw/zinc/85/11/06/442851106.db2.gz QLSUNMDRJAJBSP-DLBZAZTESA-N 2 2 338.496 1.080 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c(Cl)cnn2C)nc[nH+]1 ZINC000189163685 442889436 /nfs/dbraw/zinc/88/94/36/442889436.db2.gz HUEAFMQLZCTSBZ-LLVKDONJSA-N 2 2 335.843 1.664 10 0 EDAELP C[N@H+](C[C@H](O)CC(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182429 442893306 /nfs/dbraw/zinc/89/33/06/442893306.db2.gz WEHHGZRILMIZOV-CQSZACIVSA-N 2 2 334.386 1.593 10 0 EDAELP C[N@@H+](C[C@H](O)CC(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182429 442893309 /nfs/dbraw/zinc/89/33/09/442893309.db2.gz WEHHGZRILMIZOV-CQSZACIVSA-N 2 2 334.386 1.593 10 0 EDAELP COCCN(C)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000190855510 443197590 /nfs/dbraw/zinc/19/75/90/443197590.db2.gz MAJZTVODOLPDLW-QGZVFWFLSA-N 2 2 336.480 1.101 10 0 EDAELP CC[NH2+][C@@H](Cc1cncc(Br)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000167938624 528391752 /nfs/dbraw/zinc/39/17/52/528391752.db2.gz FTTWNVLOXBPRJV-GJZGRUSLSA-N 2 2 339.281 1.365 10 0 EDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC000184403794 528483587 /nfs/dbraw/zinc/48/35/87/528483587.db2.gz BHELXUCLQFHTJY-SFHVURJKSA-N 2 2 333.476 1.865 10 0 EDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC000184403794 528483591 /nfs/dbraw/zinc/48/35/91/528483591.db2.gz BHELXUCLQFHTJY-SFHVURJKSA-N 2 2 333.476 1.865 10 0 EDAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398987666 578318495 /nfs/dbraw/zinc/31/84/95/578318495.db2.gz IWIVATSWQCNRFC-XLIONFOSSA-N 3 2 331.504 1.943 10 0 EDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398987666 578318498 /nfs/dbraw/zinc/31/84/98/578318498.db2.gz IWIVATSWQCNRFC-XLIONFOSSA-N 3 2 331.504 1.943 10 0 EDAELP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCCc3ccco3)[nH+]cn2)C1 ZINC000685941268 539579937 /nfs/dbraw/zinc/57/99/37/539579937.db2.gz BNSPUHPAMSFPAA-HOCLYGCPSA-N 2 2 345.447 1.880 10 0 EDAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000183183450 540136170 /nfs/dbraw/zinc/13/61/70/540136170.db2.gz ZKCSGXKFNSQKOC-JYJNAYRXSA-N 2 2 332.448 1.276 10 0 EDAELP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515614 139018826 /nfs/dbraw/zinc/01/88/26/139018826.db2.gz HOJCFUYZJMHQEX-AWEZNQCLSA-N 2 2 333.436 1.297 10 0 EDAELP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515614 139018827 /nfs/dbraw/zinc/01/88/27/139018827.db2.gz HOJCFUYZJMHQEX-AWEZNQCLSA-N 2 2 333.436 1.297 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000245387636 139071405 /nfs/dbraw/zinc/07/14/05/139071405.db2.gz ZHQAPQHKTIMDJX-SJORKVTESA-N 2 2 349.500 1.223 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000245387636 139071406 /nfs/dbraw/zinc/07/14/06/139071406.db2.gz ZHQAPQHKTIMDJX-SJORKVTESA-N 2 2 349.500 1.223 10 0 EDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000246268733 139101740 /nfs/dbraw/zinc/10/17/40/139101740.db2.gz AERDUIRXVJAEHM-FUHWJXTLSA-N 2 2 345.491 1.638 10 0 EDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000246268733 139101741 /nfs/dbraw/zinc/10/17/41/139101741.db2.gz AERDUIRXVJAEHM-FUHWJXTLSA-N 2 2 345.491 1.638 10 0 EDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246499048 139110932 /nfs/dbraw/zinc/11/09/32/139110932.db2.gz WNFKBPZJAVGLHF-SJORKVTESA-N 2 2 338.496 1.367 10 0 EDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246499048 139110933 /nfs/dbraw/zinc/11/09/33/139110933.db2.gz WNFKBPZJAVGLHF-SJORKVTESA-N 2 2 338.496 1.367 10 0 EDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C ZINC000246599445 139114624 /nfs/dbraw/zinc/11/46/24/139114624.db2.gz BGTICUPDKOJXGL-RYRKJORJSA-N 2 2 333.476 1.073 10 0 EDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C ZINC000246599445 139114625 /nfs/dbraw/zinc/11/46/25/139114625.db2.gz BGTICUPDKOJXGL-RYRKJORJSA-N 2 2 333.476 1.073 10 0 EDAELP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261667198 139215840 /nfs/dbraw/zinc/21/58/40/139215840.db2.gz ISAOSBWQZQDPQH-QGZVFWFLSA-N 2 2 333.476 1.899 10 0 EDAELP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261667198 139215841 /nfs/dbraw/zinc/21/58/41/139215841.db2.gz ISAOSBWQZQDPQH-QGZVFWFLSA-N 2 2 333.476 1.899 10 0 EDAELP C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000261922795 139237323 /nfs/dbraw/zinc/23/73/23/139237323.db2.gz YZBPONQVQGZVEY-MAUKXSAKSA-N 2 2 331.460 1.718 10 0 EDAELP C[NH2+][C@@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cnn(C)c1 ZINC000262322839 139270055 /nfs/dbraw/zinc/27/00/55/139270055.db2.gz FNNZOGQLNDOWHQ-SUMWQHHRSA-N 2 2 338.415 1.744 10 0 EDAELP CC[N@H+](CCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117027573 221023888 /nfs/dbraw/zinc/02/38/88/221023888.db2.gz QZPLHYVKHSDDNY-SFHVURJKSA-N 2 2 348.491 1.875 10 0 EDAELP CC[N@@H+](CCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117027573 221023891 /nfs/dbraw/zinc/02/38/91/221023891.db2.gz QZPLHYVKHSDDNY-SFHVURJKSA-N 2 2 348.491 1.875 10 0 EDAELP C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000117025131 221023976 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CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662741609 453466635 /nfs/dbraw/zinc/46/66/35/453466635.db2.gz FWUKDBLDCMUYTH-RYQLBKOJSA-N 2 2 332.492 1.292 10 0 EDAELP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662741609 453466641 /nfs/dbraw/zinc/46/66/41/453466641.db2.gz FWUKDBLDCMUYTH-RYQLBKOJSA-N 2 2 332.492 1.292 10 0 EDAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662744571 453472714 /nfs/dbraw/zinc/47/27/14/453472714.db2.gz RAOBNVAJUAAXDN-QZTJIDSGSA-N 2 2 332.492 1.292 10 0 EDAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662744571 453472718 /nfs/dbraw/zinc/47/27/18/453472718.db2.gz RAOBNVAJUAAXDN-QZTJIDSGSA-N 2 2 332.492 1.292 10 0 EDAELP CCOC(C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)OCC ZINC000124177910 535735633 /nfs/dbraw/zinc/73/56/33/535735633.db2.gz RLBZIIPOPBJRQC-KRWDZBQOSA-N 2 2 343.512 1.112 10 0 EDAELP CCOC(C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)OCC ZINC000124177910 535735637 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CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000111229498 220117073 /nfs/dbraw/zinc/11/70/73/220117073.db2.gz AHSWHZAMMZLTLC-AWEZNQCLSA-N 2 2 336.436 1.104 10 0 EDAELP CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000111229498 220117074 /nfs/dbraw/zinc/11/70/74/220117074.db2.gz AHSWHZAMMZLTLC-AWEZNQCLSA-N 2 2 336.436 1.104 10 0 EDAELP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1OC ZINC000261616653 139211310 /nfs/dbraw/zinc/21/13/10/139211310.db2.gz CSQFXNQIYPXQBA-INIZCTEOSA-N 2 2 349.475 1.721 10 0 EDAELP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1OC ZINC000261616653 139211311 /nfs/dbraw/zinc/21/13/11/139211311.db2.gz CSQFXNQIYPXQBA-INIZCTEOSA-N 2 2 349.475 1.721 10 0 EDAELP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261794179 139226640 /nfs/dbraw/zinc/22/66/40/139226640.db2.gz VHAWBNXZSWVEHY-IINYFYTJSA-N 2 2 331.420 1.242 10 0 EDAELP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261794179 139226641 /nfs/dbraw/zinc/22/66/41/139226641.db2.gz VHAWBNXZSWVEHY-IINYFYTJSA-N 2 2 331.420 1.242 10 0 EDAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117027381 221024481 /nfs/dbraw/zinc/02/44/81/221024481.db2.gz CELHIHOVLDMEDV-HNNXBMFYSA-N 2 2 345.447 1.317 10 0 EDAELP COCC[N@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000164180962 226051408 /nfs/dbraw/zinc/05/14/08/226051408.db2.gz YIZIYRCGQBXSGB-BXUZGUMPSA-N 2 2 331.254 1.778 10 0 EDAELP COCC[N@@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000164180962 226051413 /nfs/dbraw/zinc/05/14/13/226051413.db2.gz YIZIYRCGQBXSGB-BXUZGUMPSA-N 2 2 331.254 1.778 10 0 EDAELP COCC[N@H+](C)CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658708 273007083 /nfs/dbraw/zinc/00/70/83/273007083.db2.gz PCFREHKOMDKSLI-HNNXBMFYSA-N 2 2 329.485 1.801 10 0 EDAELP COCC[N@@H+](C)CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658708 273007085 /nfs/dbraw/zinc/00/70/85/273007085.db2.gz PCFREHKOMDKSLI-HNNXBMFYSA-N 2 2 329.485 1.801 10 0 EDAELP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173789304 275814371 /nfs/dbraw/zinc/81/43/71/275814371.db2.gz OYIHSZHHGZVDBE-MRXNPFEDSA-N 2 2 338.496 1.365 10 0 EDAELP C[NH+](C)CC1(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000185189986 282068683 /nfs/dbraw/zinc/06/86/83/282068683.db2.gz KBKFCXVJQAGDMZ-MRXNPFEDSA-N 2 2 338.496 1.225 10 0 EDAELP CC(C)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000105124578 441235668 /nfs/dbraw/zinc/23/56/68/441235668.db2.gz PBCMRSSOGHLXCO-HOTGVXAUSA-N 2 2 326.485 1.127 10 0 EDAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000114483327 441663163 /nfs/dbraw/zinc/66/31/63/441663163.db2.gz UYDMAVCOSMSCBT-QGZVFWFLSA-N 2 2 333.480 1.926 10 0 EDAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000114483327 441663165 /nfs/dbraw/zinc/66/31/65/441663165.db2.gz UYDMAVCOSMSCBT-QGZVFWFLSA-N 2 2 333.480 1.926 10 0 EDAELP CCOc1cc(C)nc(N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000120885415 442147132 /nfs/dbraw/zinc/14/71/32/442147132.db2.gz HSRUZIWBZIZOSQ-INIZCTEOSA-N 2 2 333.480 1.790 10 0 EDAELP CCOc1cc(C)nc(N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000120885415 442147135 /nfs/dbraw/zinc/14/71/35/442147135.db2.gz HSRUZIWBZIZOSQ-INIZCTEOSA-N 2 2 333.480 1.790 10 0 EDAELP COC(=O)[C@@]1(C)CCC[NH+]1C/C=C/C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186316578 442510486 /nfs/dbraw/zinc/51/04/86/442510486.db2.gz AOXYXVLWJFUPEC-FBLDJFESSA-N 2 2 338.448 1.598 10 0 EDAELP COC(=O)[C@@]1(C)CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186316578 442510489 /nfs/dbraw/zinc/51/04/89/442510489.db2.gz AOXYXVLWJFUPEC-FBLDJFESSA-N 2 2 338.448 1.598 10 0 EDAELP COC(=O)[C@@]1(C)CCC[N@H+]1C/C=C/C[NH+]1CCC[C@@]1(C)C(=O)OC ZINC000186316578 442510491 /nfs/dbraw/zinc/51/04/91/442510491.db2.gz AOXYXVLWJFUPEC-FBLDJFESSA-N 2 2 338.448 1.598 10 0 EDAELP COC(=O)[C@@]1(C)CCC[N@@H+]1C/C=C/C[NH+]1CCC[C@@]1(C)C(=O)OC ZINC000186316578 442510493 /nfs/dbraw/zinc/51/04/93/442510493.db2.gz AOXYXVLWJFUPEC-FBLDJFESSA-N 2 2 338.448 1.598 10 0 EDAELP CC[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@@H+]1C[C@@H](C)O ZINC000246287660 442769712 /nfs/dbraw/zinc/76/97/12/442769712.db2.gz VYFFMVMDJRJDEC-BRWVUGGUSA-N 2 2 347.507 1.994 10 0 EDAELP CC[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@H+]1C[C@@H](C)O ZINC000246287660 442769713 /nfs/dbraw/zinc/76/97/13/442769713.db2.gz VYFFMVMDJRJDEC-BRWVUGGUSA-N 2 2 347.507 1.994 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000194027910 442832888 /nfs/dbraw/zinc/83/28/88/442832888.db2.gz JKJRXLLCHDKKSK-GJZGRUSLSA-N 2 2 347.459 1.661 10 0 EDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000184237436 443004808 /nfs/dbraw/zinc/00/48/08/443004808.db2.gz TWJAESCUWKPMPH-IBGZPJMESA-N 2 2 345.487 1.662 10 0 EDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000184237436 443004812 /nfs/dbraw/zinc/00/48/12/443004812.db2.gz TWJAESCUWKPMPH-IBGZPJMESA-N 2 2 345.487 1.662 10 0 EDAELP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000184237436 443004815 /nfs/dbraw/zinc/00/48/15/443004815.db2.gz TWJAESCUWKPMPH-IBGZPJMESA-N 2 2 345.487 1.662 10 0 EDAELP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000184237436 443004819 /nfs/dbraw/zinc/00/48/19/443004819.db2.gz TWJAESCUWKPMPH-IBGZPJMESA-N 2 2 345.487 1.662 10 0 EDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)C1 ZINC000190524112 443127726 /nfs/dbraw/zinc/12/77/26/443127726.db2.gz UZUOMZGIATWJSN-KZNAEPCWSA-N 2 2 325.497 1.281 10 0 EDAELP CCn1cc[nH+]c1CN(Cc1cncnc1)[C@H]1CC12CC[NH2+]CC2 ZINC000583621907 448453531 /nfs/dbraw/zinc/45/35/31/448453531.db2.gz PRXRVFCURCUCQC-INIZCTEOSA-N 2 2 326.448 1.837 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616596251 450454317 /nfs/dbraw/zinc/45/43/17/450454317.db2.gz UIBGQGJEGMBOHE-CQSZACIVSA-N 2 2 336.436 1.952 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616596251 450454322 /nfs/dbraw/zinc/45/43/22/450454322.db2.gz UIBGQGJEGMBOHE-CQSZACIVSA-N 2 2 336.436 1.952 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616595198 450454597 /nfs/dbraw/zinc/45/45/97/450454597.db2.gz UDDZTDKXMQEQSW-AWEZNQCLSA-N 2 2 336.436 1.952 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616595198 450454600 /nfs/dbraw/zinc/45/46/00/450454600.db2.gz UDDZTDKXMQEQSW-AWEZNQCLSA-N 2 2 336.436 1.952 10 0 EDAELP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173802767 534675464 /nfs/dbraw/zinc/67/54/64/534675464.db2.gz PIPOABXWXDUODK-KBXCAEBGSA-N 2 2 342.443 1.524 10 0 EDAELP Cc1ccc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)cc1C ZINC000040702798 213372108 /nfs/dbraw/zinc/37/21/08/213372108.db2.gz DANHUCGUHHRLEU-UHFFFAOYSA-N 2 2 327.436 1.994 10 0 EDAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2[C@@H](C)COC[C@@H]2C)CC1 ZINC000077364965 138252312 /nfs/dbraw/zinc/25/23/12/138252312.db2.gz WPXUDMRKOQXRGP-ROUUACIJSA-N 2 2 345.487 1.748 10 0 EDAELP C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H](C)[NH+]1CCC[NH+](C)C ZINC000036125124 213070976 /nfs/dbraw/zinc/07/09/76/213070976.db2.gz YYMCZTHWLOJYEM-HUUCEWRRSA-N 2 2 347.459 1.902 10 0 EDAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515820 139018831 /nfs/dbraw/zinc/01/88/31/139018831.db2.gz MFMPUVUHNMDJLX-AWEZNQCLSA-N 2 2 333.436 1.441 10 0 EDAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515820 139018832 /nfs/dbraw/zinc/01/88/32/139018832.db2.gz MFMPUVUHNMDJLX-AWEZNQCLSA-N 2 2 333.436 1.441 10 0 EDAELP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000111452882 220156083 /nfs/dbraw/zinc/15/60/83/220156083.db2.gz GKMBKRPBHQNUPD-SJORKVTESA-N 2 2 348.491 1.527 10 0 EDAELP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000111452882 220156087 /nfs/dbraw/zinc/15/60/87/220156087.db2.gz GKMBKRPBHQNUPD-SJORKVTESA-N 2 2 348.491 1.527 10 0 EDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245514773 139077642 /nfs/dbraw/zinc/07/76/42/139077642.db2.gz PQUSIUMUVHWCHJ-PMPSAXMXSA-N 2 2 331.464 1.688 10 0 EDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245514773 139077643 /nfs/dbraw/zinc/07/76/43/139077643.db2.gz PQUSIUMUVHWCHJ-PMPSAXMXSA-N 2 2 331.464 1.688 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000246988361 139129984 /nfs/dbraw/zinc/12/99/84/139129984.db2.gz AWCVDPBCYZRAMB-IAGOWNOFSA-N 2 2 333.480 1.381 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000246988361 139129985 /nfs/dbraw/zinc/12/99/85/139129985.db2.gz AWCVDPBCYZRAMB-IAGOWNOFSA-N 2 2 333.480 1.381 10 0 EDAELP Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)C2=O)cn1 ZINC000247737120 139154708 /nfs/dbraw/zinc/15/47/08/139154708.db2.gz VYYMUUFWTPXFLE-GOEBONIOSA-N 2 2 340.431 1.354 10 0 EDAELP Cn1cc(N2CC[C@@H]([N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)C2=O)cn1 ZINC000247737120 139154709 /nfs/dbraw/zinc/15/47/09/139154709.db2.gz VYYMUUFWTPXFLE-GOEBONIOSA-N 2 2 340.431 1.354 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC[C@H]1[NH3+] ZINC000261915962 139236783 /nfs/dbraw/zinc/23/67/83/139236783.db2.gz YDCYKXWEOQKLNX-CQSZACIVSA-N 2 2 348.403 1.123 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC[C@H]1[NH3+] ZINC000261915962 139236784 /nfs/dbraw/zinc/23/67/84/139236784.db2.gz YDCYKXWEOQKLNX-CQSZACIVSA-N 2 2 348.403 1.123 10 0 EDAELP COCC[N@H+](CCO)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000164202781 226053488 /nfs/dbraw/zinc/05/34/88/226053488.db2.gz WXBOLGAVJFMMBI-RISCZKNCSA-N 2 2 331.254 1.778 10 0 EDAELP COCC[N@@H+](CCO)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000164202781 226053492 /nfs/dbraw/zinc/05/34/92/226053492.db2.gz WXBOLGAVJFMMBI-RISCZKNCSA-N 2 2 331.254 1.778 10 0 EDAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173441024 276361759 /nfs/dbraw/zinc/36/17/59/276361759.db2.gz MSMCVVQYCOOBHK-LSDHHAIUSA-N 2 2 346.479 1.478 10 0 EDAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173441024 276361760 /nfs/dbraw/zinc/36/17/60/276361760.db2.gz MSMCVVQYCOOBHK-LSDHHAIUSA-N 2 2 346.479 1.478 10 0 EDAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173441024 276361761 /nfs/dbraw/zinc/36/17/61/276361761.db2.gz MSMCVVQYCOOBHK-LSDHHAIUSA-N 2 2 346.479 1.478 10 0 EDAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173441024 276361762 /nfs/dbraw/zinc/36/17/62/276361762.db2.gz MSMCVVQYCOOBHK-LSDHHAIUSA-N 2 2 346.479 1.478 10 0 EDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000104778564 279146474 /nfs/dbraw/zinc/14/64/74/279146474.db2.gz HPFAUSROHXMVQZ-MSOLQXFVSA-N 2 2 348.491 1.699 10 0 EDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000104778564 279146477 /nfs/dbraw/zinc/14/64/77/279146477.db2.gz HPFAUSROHXMVQZ-MSOLQXFVSA-N 2 2 348.491 1.699 10 0 EDAELP C[C@H](CNC(=O)NCCCCNc1cccc[nH+]1)[NH+]1CCOCC1 ZINC000105124586 441236546 /nfs/dbraw/zinc/23/65/46/441236546.db2.gz ZCCBXEBNHRAOSJ-OAHLLOKOSA-N 2 2 335.452 1.294 10 0 EDAELP CCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797745 441272041 /nfs/dbraw/zinc/27/20/41/441272041.db2.gz HTADDMGLPOCBEG-KBPBESRZSA-N 2 2 334.468 1.382 10 0 EDAELP CN(C)c1[nH+]cccc1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106431750 441343518 /nfs/dbraw/zinc/34/35/18/441343518.db2.gz IGQQHAHWAMGLHL-KRWDZBQOSA-N 2 2 326.444 1.937 10 0 EDAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000114959341 441704290 /nfs/dbraw/zinc/70/42/90/441704290.db2.gz YKOPTLHVSOFGMD-GOSISDBHSA-N 2 2 348.491 1.399 10 0 EDAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000114959341 441704298 /nfs/dbraw/zinc/70/42/98/441704298.db2.gz YKOPTLHVSOFGMD-GOSISDBHSA-N 2 2 348.491 1.399 10 0 EDAELP CC(C)OC(=O)CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000173681567 441822487 /nfs/dbraw/zinc/82/24/87/441822487.db2.gz AMXNGQOVQQGMIX-KRWDZBQOSA-N 2 2 341.496 1.055 10 0 EDAELP CC(C)OC(=O)CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000173681567 441822494 /nfs/dbraw/zinc/82/24/94/441822494.db2.gz AMXNGQOVQQGMIX-KRWDZBQOSA-N 2 2 341.496 1.055 10 0 EDAELP CC[C@H](C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000123718971 441897765 /nfs/dbraw/zinc/89/77/65/441897765.db2.gz DPOFRESJDJRYSV-RBSFLKMASA-N 2 2 339.505 1.966 10 0 EDAELP CC[C@H](C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000123718971 441897770 /nfs/dbraw/zinc/89/77/70/441897770.db2.gz DPOFRESJDJRYSV-RBSFLKMASA-N 2 2 339.505 1.966 10 0 EDAELP Cc1[nH+]ccn1CCCN(C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000120193246 442026201 /nfs/dbraw/zinc/02/62/01/442026201.db2.gz IMRAHHUKRHKMKJ-OAHLLOKOSA-N 2 2 330.436 1.469 10 0 EDAELP Cc1[nH+]ccn1CCCN(C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000120193246 442026205 /nfs/dbraw/zinc/02/62/05/442026205.db2.gz IMRAHHUKRHKMKJ-OAHLLOKOSA-N 2 2 330.436 1.469 10 0 EDAELP Cc1ncc(C[NH+]2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)s1 ZINC000134029024 442446711 /nfs/dbraw/zinc/44/67/11/442446711.db2.gz BKLJGVMXIGQEAL-ZDUSSCGKSA-N 2 2 340.518 1.191 10 0 EDAELP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000179397266 442640514 /nfs/dbraw/zinc/64/05/14/442640514.db2.gz UQURTHOMUIFGEW-ZWKOTPCHSA-N 2 2 333.476 1.074 10 0 EDAELP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672945 442646792 /nfs/dbraw/zinc/64/67/92/442646792.db2.gz HMKZQVGEFDCRQU-OLZOCXBDSA-N 2 2 329.404 1.757 10 0 EDAELP C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000246322707 442771827 /nfs/dbraw/zinc/77/18/27/442771827.db2.gz ADFLMFSUNKTHJB-IRXDYDNUSA-N 2 2 332.448 1.015 10 0 EDAELP C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000246322707 442771831 /nfs/dbraw/zinc/77/18/31/442771831.db2.gz ADFLMFSUNKTHJB-IRXDYDNUSA-N 2 2 332.448 1.015 10 0 EDAELP C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000246322707 442771835 /nfs/dbraw/zinc/77/18/35/442771835.db2.gz ADFLMFSUNKTHJB-IRXDYDNUSA-N 2 2 332.448 1.015 10 0 EDAELP C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000246322707 442771841 /nfs/dbraw/zinc/77/18/41/442771841.db2.gz ADFLMFSUNKTHJB-IRXDYDNUSA-N 2 2 332.448 1.015 10 0 EDAELP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763115 451532975 /nfs/dbraw/zinc/53/29/75/451532975.db2.gz OINRFMICJVLLIR-BJLQDIEVSA-N 2 2 343.471 1.393 10 0 EDAELP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763115 451532977 /nfs/dbraw/zinc/53/29/77/451532977.db2.gz OINRFMICJVLLIR-BJLQDIEVSA-N 2 2 343.471 1.393 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662741192 453466258 /nfs/dbraw/zinc/46/62/58/453466258.db2.gz DIXSCJHJWBKCGZ-KZNAEPCWSA-N 2 2 330.476 1.046 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662741192 453466267 /nfs/dbraw/zinc/46/62/67/453466267.db2.gz DIXSCJHJWBKCGZ-KZNAEPCWSA-N 2 2 330.476 1.046 10 0 EDAELP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000131652325 534739712 /nfs/dbraw/zinc/73/97/12/534739712.db2.gz BAOSGICYINLXQN-DLBZAZTESA-N 2 2 341.415 1.464 10 0 EDAELP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000131652325 534739717 /nfs/dbraw/zinc/73/97/17/534739717.db2.gz BAOSGICYINLXQN-DLBZAZTESA-N 2 2 341.415 1.464 10 0 EDAELP CO[C@@H]1C[C@H](c2[nH]cc[nH+]2)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000888103043 591031274 /nfs/dbraw/zinc/03/12/74/591031274.db2.gz BIJJTYZLYMFZHO-IUODEOHRSA-N 2 2 345.403 1.596 10 0 EDAELP Cn1c[nH+]c([C@@H]2CN(C(=O)C3(C)CCC(F)(F)CC3)C[C@H]2[NH3+])c1 ZINC000864339641 596855242 /nfs/dbraw/zinc/85/52/42/596855242.db2.gz FENIBQWDHQOMAG-VXGBXAGGSA-N 2 2 326.391 1.889 10 0 EDAELP C[C@H](CCNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000184830118 540145346 /nfs/dbraw/zinc/14/53/46/540145346.db2.gz YIDGAJYUXMBAIH-CVEARBPZSA-N 2 2 326.485 1.271 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000106214919 138302892 /nfs/dbraw/zinc/30/28/92/138302892.db2.gz ASCGVVPRKIBSBT-GFCCVEGCSA-N 2 2 330.440 1.116 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000106214919 138302893 /nfs/dbraw/zinc/30/28/93/138302893.db2.gz ASCGVVPRKIBSBT-GFCCVEGCSA-N 2 2 330.440 1.116 10 0 EDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000079201229 217202041 /nfs/dbraw/zinc/20/20/41/217202041.db2.gz XQCOCUSMEKTUGZ-OAHLLOKOSA-N 2 2 328.501 1.373 10 0 EDAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)cn2)CC1 ZINC000093438292 218226555 /nfs/dbraw/zinc/22/65/55/218226555.db2.gz HNDKMVWHIMMKEG-QGZVFWFLSA-N 2 2 341.463 1.679 10 0 EDAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)cn2)CC1 ZINC000093438292 218226556 /nfs/dbraw/zinc/22/65/56/218226556.db2.gz HNDKMVWHIMMKEG-QGZVFWFLSA-N 2 2 341.463 1.679 10 0 EDAELP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261610367 139210795 /nfs/dbraw/zinc/21/07/95/139210795.db2.gz BEISCUINMVLBLY-ZFWWWQNUSA-N 2 2 332.448 1.460 10 0 EDAELP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261610367 139210796 /nfs/dbraw/zinc/21/07/96/139210796.db2.gz BEISCUINMVLBLY-ZFWWWQNUSA-N 2 2 332.448 1.460 10 0 EDAELP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000262558031 139286523 /nfs/dbraw/zinc/28/65/23/139286523.db2.gz PYRIQNQWLQMSJB-OAHLLOKOSA-N 2 2 331.460 1.585 10 0 EDAELP C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000117025129 221024033 /nfs/dbraw/zinc/02/40/33/221024033.db2.gz DDAQQLKVLSYULW-SFHVURJKSA-N 2 2 346.475 1.141 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117425342 221060826 /nfs/dbraw/zinc/06/08/26/221060826.db2.gz AZLPXESOEUYPQM-DLBZAZTESA-N 2 2 345.487 1.612 10 0 EDAELP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117425342 221060829 /nfs/dbraw/zinc/06/08/29/221060829.db2.gz AZLPXESOEUYPQM-DLBZAZTESA-N 2 2 345.487 1.612 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117425342 221060830 /nfs/dbraw/zinc/06/08/30/221060830.db2.gz AZLPXESOEUYPQM-DLBZAZTESA-N 2 2 345.487 1.612 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117425342 221060832 /nfs/dbraw/zinc/06/08/32/221060832.db2.gz AZLPXESOEUYPQM-DLBZAZTESA-N 2 2 345.487 1.612 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000117300030 221048668 /nfs/dbraw/zinc/04/86/68/221048668.db2.gz SNBUTVIHQURBCR-RTBURBONSA-N 2 2 347.503 1.729 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1CCOC ZINC000117300030 221048670 /nfs/dbraw/zinc/04/86/70/221048670.db2.gz SNBUTVIHQURBCR-RTBURBONSA-N 2 2 347.503 1.729 10 0 EDAELP C[C@H](CNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000078541249 287294328 /nfs/dbraw/zinc/29/43/28/287294328.db2.gz GRSJRMOMSOHTPQ-AEFFLSMTSA-N 2 2 348.491 1.179 10 0 EDAELP CC[C@H](C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)[NH+](C)C ZINC000123688563 222317822 /nfs/dbraw/zinc/31/78/22/222317822.db2.gz ULLDBSCRBGNXBF-CABCVRRESA-N 2 2 339.505 1.920 10 0 EDAELP C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N(C)C ZINC000189889434 272970099 /nfs/dbraw/zinc/97/00/99/272970099.db2.gz GGTHUOVUQZRZRJ-ZIAGYGMSSA-N 2 2 343.431 1.116 10 0 EDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000246116780 281197429 /nfs/dbraw/zinc/19/74/29/281197429.db2.gz IDLDRJPEOIOCQY-HOTGVXAUSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000246116780 281197431 /nfs/dbraw/zinc/19/74/31/281197431.db2.gz IDLDRJPEOIOCQY-HOTGVXAUSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000246116780 281197433 /nfs/dbraw/zinc/19/74/33/281197433.db2.gz IDLDRJPEOIOCQY-HOTGVXAUSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000246116780 281197435 /nfs/dbraw/zinc/19/74/35/281197435.db2.gz IDLDRJPEOIOCQY-HOTGVXAUSA-N 2 2 338.496 1.365 10 0 EDAELP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000104778195 441206576 /nfs/dbraw/zinc/20/65/76/441206576.db2.gz XFOBDCUELCWFGV-GOSISDBHSA-N 2 2 348.491 1.658 10 0 EDAELP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000104778195 441206579 /nfs/dbraw/zinc/20/65/79/441206579.db2.gz XFOBDCUELCWFGV-GOSISDBHSA-N 2 2 348.491 1.658 10 0 EDAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863377 441294903 /nfs/dbraw/zinc/29/49/03/441294903.db2.gz AFZVLDDARDRTIC-DLBZAZTESA-N 2 2 349.523 1.973 10 0 EDAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863377 441294905 /nfs/dbraw/zinc/29/49/05/441294905.db2.gz AFZVLDDARDRTIC-DLBZAZTESA-N 2 2 349.523 1.973 10 0 EDAELP C[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)[NH+]1CCOCC1 ZINC000048216364 441272847 /nfs/dbraw/zinc/27/28/47/441272847.db2.gz VCRSGWZZLNSQKT-NVXWUHKLSA-N 2 2 334.464 1.309 10 0 EDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174191557 441901270 /nfs/dbraw/zinc/90/12/70/441901270.db2.gz JMIZQLXSTPOQKJ-OALUTQOASA-N 2 2 345.487 1.340 10 0 EDAELP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](C)CCO2)cc1)C(C)C ZINC000171286754 442338886 /nfs/dbraw/zinc/33/88/86/442338886.db2.gz OKCNUPVXCZHYOH-SFHVURJKSA-N 2 2 333.476 1.977 10 0 EDAELP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](C)CCO2)cc1)C(C)C ZINC000171286754 442338888 /nfs/dbraw/zinc/33/88/88/442338888.db2.gz OKCNUPVXCZHYOH-SFHVURJKSA-N 2 2 333.476 1.977 10 0 EDAELP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1)C(C)C ZINC000171286754 442338891 /nfs/dbraw/zinc/33/88/91/442338891.db2.gz OKCNUPVXCZHYOH-SFHVURJKSA-N 2 2 333.476 1.977 10 0 EDAELP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1)C(C)C ZINC000171286754 442338893 /nfs/dbraw/zinc/33/88/93/442338893.db2.gz OKCNUPVXCZHYOH-SFHVURJKSA-N 2 2 333.476 1.977 10 0 EDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000172058397 442405107 /nfs/dbraw/zinc/40/51/07/442405107.db2.gz ZGUOBFLQCIMWPH-NVXWUHKLSA-N 2 2 345.491 1.327 10 0 EDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000172058397 442405110 /nfs/dbraw/zinc/40/51/10/442405110.db2.gz ZGUOBFLQCIMWPH-NVXWUHKLSA-N 2 2 345.491 1.327 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C[C@H]1C ZINC000172332464 442445960 /nfs/dbraw/zinc/44/59/60/442445960.db2.gz MSRJWOIHVVSIGR-LSDHHAIUSA-N 2 2 337.468 1.190 10 0 EDAELP COCC[N@H+]1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C[C@H]1C ZINC000172332464 442445963 /nfs/dbraw/zinc/44/59/63/442445963.db2.gz MSRJWOIHVVSIGR-LSDHHAIUSA-N 2 2 337.468 1.190 10 0 EDAELP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000052856269 487354221 /nfs/dbraw/zinc/35/42/21/487354221.db2.gz UEEQJDYWSVYNMC-QZTJIDSGSA-N 2 2 345.487 1.748 10 0 EDAELP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCS1 ZINC000171691887 533909523 /nfs/dbraw/zinc/90/95/23/533909523.db2.gz NCWNWNBSEIVZRE-AWEZNQCLSA-N 2 2 339.530 1.830 10 0 EDAELP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCS1 ZINC000171691887 533909526 /nfs/dbraw/zinc/90/95/26/533909526.db2.gz NCWNWNBSEIVZRE-AWEZNQCLSA-N 2 2 339.530 1.830 10 0 EDAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC(NC(=O)C4CC4)C3)c2cc1C ZINC000187978680 534136779 /nfs/dbraw/zinc/13/67/79/534136779.db2.gz BPPKOGWHHLUNIX-MRXNPFEDSA-N 2 2 342.443 1.224 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245469130 536436108 /nfs/dbraw/zinc/43/61/08/536436108.db2.gz UTEOCYPFFMIHSS-ZWKOTPCHSA-N 2 2 331.460 1.488 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245469130 536436110 /nfs/dbraw/zinc/43/61/10/536436110.db2.gz UTEOCYPFFMIHSS-ZWKOTPCHSA-N 2 2 331.460 1.488 10 0 EDAELP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000245469130 536436112 /nfs/dbraw/zinc/43/61/12/536436112.db2.gz UTEOCYPFFMIHSS-ZWKOTPCHSA-N 2 2 331.460 1.488 10 0 EDAELP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000245469130 536436114 /nfs/dbraw/zinc/43/61/14/536436114.db2.gz UTEOCYPFFMIHSS-ZWKOTPCHSA-N 2 2 331.460 1.488 10 0 EDAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000171900441 528302791 /nfs/dbraw/zinc/30/27/91/528302791.db2.gz IXPNOEUPEDNSTL-INIZCTEOSA-N 2 2 331.464 1.917 10 0 EDAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000171900441 528302794 /nfs/dbraw/zinc/30/27/94/528302794.db2.gz IXPNOEUPEDNSTL-INIZCTEOSA-N 2 2 331.464 1.917 10 0 EDAELP CCCC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000158654633 528457997 /nfs/dbraw/zinc/45/79/97/528457997.db2.gz ORLXJOSQRMYDHX-OAHLLOKOSA-N 2 2 326.485 1.271 10 0 EDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000171652176 529228136 /nfs/dbraw/zinc/22/81/36/529228136.db2.gz HGGKLNFCQFVYTF-QGZVFWFLSA-N 2 2 328.416 1.401 10 0 EDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCOC(C)(C)C)CC2)C1 ZINC000105846114 535214863 /nfs/dbraw/zinc/21/48/63/535214863.db2.gz ZKFIAYSVELJZFQ-KRWDZBQOSA-N 2 2 327.513 1.528 10 0 EDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCOC(C)(C)C)CC2)C1 ZINC000105846114 535214869 /nfs/dbraw/zinc/21/48/69/535214869.db2.gz ZKFIAYSVELJZFQ-KRWDZBQOSA-N 2 2 327.513 1.528 10 0 EDAELP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000133019803 535534312 /nfs/dbraw/zinc/53/43/12/535534312.db2.gz CKSBJHPTTFYYPG-MSOLQXFVSA-N 2 2 331.460 1.488 10 0 EDAELP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000133019803 535534315 /nfs/dbraw/zinc/53/43/15/535534315.db2.gz CKSBJHPTTFYYPG-MSOLQXFVSA-N 2 2 331.460 1.488 10 0 EDAELP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000133019803 535534316 /nfs/dbraw/zinc/53/43/16/535534316.db2.gz CKSBJHPTTFYYPG-MSOLQXFVSA-N 2 2 331.460 1.488 10 0 EDAELP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000133019803 535534321 /nfs/dbraw/zinc/53/43/21/535534321.db2.gz CKSBJHPTTFYYPG-MSOLQXFVSA-N 2 2 331.460 1.488 10 0 EDAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000236959322 535652130 /nfs/dbraw/zinc/65/21/30/535652130.db2.gz SPMKZXIDBYZRCW-RHSMWYFYSA-N 2 2 329.448 1.352 10 0 EDAELP C[NH2+][C@@H](Cc1ccc(Br)cn1)[C@H]1C[N@H+](C)CCCN1C ZINC000168004340 530042766 /nfs/dbraw/zinc/04/27/66/530042766.db2.gz UVFQMCRCUOCNAK-LSDHHAIUSA-N 2 2 341.297 1.611 10 0 EDAELP C[NH2+][C@@H](Cc1ccc(Br)cn1)[C@H]1C[N@@H+](C)CCCN1C ZINC000168004340 530042767 /nfs/dbraw/zinc/04/27/67/530042767.db2.gz UVFQMCRCUOCNAK-LSDHHAIUSA-N 2 2 341.297 1.611 10 0 EDAELP C[NH2+][C@@H](Cc1cncc(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000167916767 530042800 /nfs/dbraw/zinc/04/28/00/530042800.db2.gz JOMRAMVCLUBTEE-UONOGXRCSA-N 2 2 327.270 1.220 10 0 EDAELP C[NH2+][C@@H](Cc1cncc(Br)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000167916767 530042801 /nfs/dbraw/zinc/04/28/01/530042801.db2.gz JOMRAMVCLUBTEE-UONOGXRCSA-N 2 2 327.270 1.220 10 0 EDAELP COc1c(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(C)nn1C ZINC000092665553 138290003 /nfs/dbraw/zinc/29/00/03/138290003.db2.gz SAAZNYHOSOFQDD-HOTGVXAUSA-N 2 2 349.523 1.728 10 0 EDAELP COCC[N@@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@@H]1C ZINC000246231937 139100280 /nfs/dbraw/zinc/10/02/80/139100280.db2.gz RBFPWQQMXSIZGG-HOTGVXAUSA-N 2 2 333.480 1.870 10 0 EDAELP COCC[N@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@@H]1C ZINC000246231937 139100281 /nfs/dbraw/zinc/10/02/81/139100281.db2.gz RBFPWQQMXSIZGG-HOTGVXAUSA-N 2 2 333.480 1.870 10 0 EDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246396224 139106828 /nfs/dbraw/zinc/10/68/28/139106828.db2.gz JFDUORAJMSXBBX-OWCLPIDISA-N 2 2 328.501 1.371 10 0 EDAELP C[C@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189908426 272970518 /nfs/dbraw/zinc/97/05/18/272970518.db2.gz NIGZORIXZWTLHN-LBPRGKRZSA-N 2 2 327.388 1.511 10 0 EDAELP C[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[NH+]1CCOCC1 ZINC000048216359 278275240 /nfs/dbraw/zinc/27/52/40/278275240.db2.gz VCRSGWZZLNSQKT-RDJZCZTQSA-N 2 2 334.464 1.309 10 0 EDAELP C[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[NH+]1CCOCC1 ZINC000048216361 279336183 /nfs/dbraw/zinc/33/61/83/279336183.db2.gz VCRSGWZZLNSQKT-WBVHZDCISA-N 2 2 334.464 1.309 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NCCN2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261798324 281232348 /nfs/dbraw/zinc/23/23/48/281232348.db2.gz VROBPMKDMSAFBA-KRWDZBQOSA-N 2 2 330.476 1.225 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NCCN2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261798324 281232349 /nfs/dbraw/zinc/23/23/49/281232349.db2.gz VROBPMKDMSAFBA-KRWDZBQOSA-N 2 2 330.476 1.225 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000246480964 290108886 /nfs/dbraw/zinc/10/88/86/290108886.db2.gz RRZYKTNGROJVKA-QZTJIDSGSA-N 2 2 346.475 1.453 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000246480964 290108887 /nfs/dbraw/zinc/10/88/87/290108887.db2.gz RRZYKTNGROJVKA-QZTJIDSGSA-N 2 2 346.475 1.453 10 0 EDAELP CC1CCN(C(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)CC1 ZINC000105863120 441294854 /nfs/dbraw/zinc/29/48/54/441294854.db2.gz KFDDABOIOOJYDO-UHFFFAOYSA-N 2 2 347.507 1.538 10 0 EDAELP CC1CCN(C(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)CC1 ZINC000105863120 441294858 /nfs/dbraw/zinc/29/48/58/441294858.db2.gz KFDDABOIOOJYDO-UHFFFAOYSA-N 2 2 347.507 1.538 10 0 EDAELP CCC(CC)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797764 441272724 /nfs/dbraw/zinc/27/27/24/441272724.db2.gz KGDDTCVJEUWBSH-UKRRQHHQSA-N 2 2 348.495 1.770 10 0 EDAELP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000173648312 441814758 /nfs/dbraw/zinc/81/47/58/441814758.db2.gz YPHRCWDYXYQGQI-LJQANCHMSA-N 2 2 347.503 1.729 10 0 EDAELP C[C@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)S1 ZINC000127049284 442165159 /nfs/dbraw/zinc/16/51/59/442165159.db2.gz GHCYFNFGKYERHI-RDJZCZTQSA-N 2 2 349.500 1.673 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1CC ZINC000172298513 442437928 /nfs/dbraw/zinc/43/79/28/442437928.db2.gz FYROACGDSFMITK-INIZCTEOSA-N 2 2 330.432 1.907 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1CC ZINC000172298513 442437931 /nfs/dbraw/zinc/43/79/31/442437931.db2.gz FYROACGDSFMITK-INIZCTEOSA-N 2 2 330.432 1.907 10 0 EDAELP C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000156266632 442461538 /nfs/dbraw/zinc/46/15/38/442461538.db2.gz VQMLFEGCFGGERM-IRXDYDNUSA-N 2 2 338.496 1.367 10 0 EDAELP COC(=O)[C@@H](c1cccnc1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246510475 442787644 /nfs/dbraw/zinc/78/76/44/442787644.db2.gz UBESSXHHISMEOR-WMLDXEAASA-N 2 2 335.448 1.320 10 0 EDAELP COC(=O)[C@@H](c1cccnc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246510475 442787647 /nfs/dbraw/zinc/78/76/47/442787647.db2.gz UBESSXHHISMEOR-WMLDXEAASA-N 2 2 335.448 1.320 10 0 EDAELP CC[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@@H+]1C[C@H](C)O ZINC000246287675 442769741 /nfs/dbraw/zinc/76/97/41/442769741.db2.gz VYFFMVMDJRJDEC-IXDOHACOSA-N 2 2 347.507 1.994 10 0 EDAELP CC[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@H+]1C[C@H](C)O ZINC000246287675 442769742 /nfs/dbraw/zinc/76/97/42/442769742.db2.gz VYFFMVMDJRJDEC-IXDOHACOSA-N 2 2 347.507 1.994 10 0 EDAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C12CCOCC2 ZINC000248907280 442937404 /nfs/dbraw/zinc/93/74/04/442937404.db2.gz BJVHWTDXGDUBKG-OKZBNKHCSA-N 2 2 340.508 1.907 10 0 EDAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C12CCOCC2 ZINC000248907280 442937410 /nfs/dbraw/zinc/93/74/10/442937410.db2.gz BJVHWTDXGDUBKG-OKZBNKHCSA-N 2 2 340.508 1.907 10 0 EDAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(C3CC3)n2C)[C@@H](C)C1 ZINC000249405708 442972395 /nfs/dbraw/zinc/97/23/95/442972395.db2.gz CZMLDRLWSWUMJX-GOEBONIOSA-N 2 2 335.496 1.919 10 0 EDAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(C3CC3)n2C)[C@@H](C)C1 ZINC000249405708 442972399 /nfs/dbraw/zinc/97/23/99/442972399.db2.gz CZMLDRLWSWUMJX-GOEBONIOSA-N 2 2 335.496 1.919 10 0 EDAELP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000190123081 443059888 /nfs/dbraw/zinc/05/98/88/443059888.db2.gz OGAZKKAQTVCRDS-INIZCTEOSA-N 2 2 326.485 1.225 10 0 EDAELP CC[C@@H]1CN(CCC[NH+]2CCN(C(C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000191483583 443301189 /nfs/dbraw/zinc/30/11/89/443301189.db2.gz YMICUCZYGIUZTG-RTBURBONSA-N 2 2 340.556 1.180 10 0 EDAELP CC[C@@H]1CN(CCC[NH+]2CCN(C(C)C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000191483583 443301192 /nfs/dbraw/zinc/30/11/92/443301192.db2.gz YMICUCZYGIUZTG-RTBURBONSA-N 2 2 340.556 1.180 10 0 EDAELP CO[C@@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@](C)(C[NH3+])C1 ZINC000630358439 451131949 /nfs/dbraw/zinc/13/19/49/451131949.db2.gz AUKMAXPDCKEWGT-SCLBCKFNSA-N 2 2 331.416 1.111 10 0 EDAELP CO[C@@H]1C[N@@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@](C)(C[NH3+])C1 ZINC000630358439 451131956 /nfs/dbraw/zinc/13/19/56/451131956.db2.gz AUKMAXPDCKEWGT-SCLBCKFNSA-N 2 2 331.416 1.111 10 0 EDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638070779 452376476 /nfs/dbraw/zinc/37/64/76/452376476.db2.gz ADBWTBFQHWAMGA-QZTJIDSGSA-N 2 2 334.508 1.538 10 0 EDAELP CC[NH2+][C@H](Cc1cncc(Br)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000167938699 528425525 /nfs/dbraw/zinc/42/55/25/528425525.db2.gz FTTWNVLOXBPRJV-CABCVRRESA-N 2 2 339.281 1.365 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000180852891 529133091 /nfs/dbraw/zinc/13/30/91/529133091.db2.gz ZXXXJBRDZLCRSF-CABCVRRESA-N 2 2 349.475 1.907 10 0 EDAELP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515893 535539223 /nfs/dbraw/zinc/53/92/23/535539223.db2.gz REQJOEFWIIGMTC-HZPDHXFCSA-N 2 2 334.464 1.747 10 0 EDAELP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515893 535539229 /nfs/dbraw/zinc/53/92/29/535539229.db2.gz REQJOEFWIIGMTC-HZPDHXFCSA-N 2 2 334.464 1.747 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000247190813 535836773 /nfs/dbraw/zinc/83/67/73/535836773.db2.gz SNBUTVIHQURBCR-MOPGFXCFSA-N 2 2 347.503 1.729 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1CCOC ZINC000247190813 535836779 /nfs/dbraw/zinc/83/67/79/535836779.db2.gz SNBUTVIHQURBCR-MOPGFXCFSA-N 2 2 347.503 1.729 10 0 EDAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398948543 578318353 /nfs/dbraw/zinc/31/83/53/578318353.db2.gz CLFZMVBSHBUQQF-IEBWSBKVSA-N 3 2 331.504 1.943 10 0 EDAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000398948543 578318354 /nfs/dbraw/zinc/31/83/54/578318354.db2.gz CLFZMVBSHBUQQF-IEBWSBKVSA-N 3 2 331.504 1.943 10 0 EDAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247250701 139142355 /nfs/dbraw/zinc/14/23/55/139142355.db2.gz ZRAGVJNFGKJDSM-RLLQIKCJSA-N 3 2 346.519 1.728 10 0 EDAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247250701 139142356 /nfs/dbraw/zinc/14/23/56/139142356.db2.gz ZRAGVJNFGKJDSM-RLLQIKCJSA-N 3 2 346.519 1.728 10 0 EDAELP C[NH2+]CCC1CC[NH+](CC(=O)/N=c2\cc[nH]n2[C@H](C)C2CC2)CC1 ZINC000261994461 139242550 /nfs/dbraw/zinc/24/25/50/139242550.db2.gz NEZWEHFQWCTMCU-LQFHHUIYSA-N 2 2 333.480 1.536 10 0 EDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153004906 224044292 /nfs/dbraw/zinc/04/42/92/224044292.db2.gz VSINVCVWLVDMSE-MSOLQXFVSA-N 2 2 338.455 1.949 10 0 EDAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900429 227346577 /nfs/dbraw/zinc/34/65/77/227346577.db2.gz NENSHYBHOCHMQG-MRXNPFEDSA-N 2 2 329.448 1.671 10 0 EDAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900429 227346580 /nfs/dbraw/zinc/34/65/80/227346580.db2.gz NENSHYBHOCHMQG-MRXNPFEDSA-N 2 2 329.448 1.671 10 0 EDAELP C[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189889395 272970181 /nfs/dbraw/zinc/97/01/81/272970181.db2.gz GGTHUOVUQZRZRJ-KGLIPLIRSA-N 2 2 343.431 1.116 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](COC)C2CCOCC2)nc[nH+]1 ZINC000249207502 287793151 /nfs/dbraw/zinc/79/31/51/287793151.db2.gz WTHZVTUYOQHVDS-HZPDHXFCSA-N 2 2 349.479 1.518 10 0 EDAELP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000172759184 278195717 /nfs/dbraw/zinc/19/57/17/278195717.db2.gz MJQAIRBCLWRFGI-QFBILLFUSA-N 2 2 343.471 1.366 10 0 EDAELP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000172759184 278195718 /nfs/dbraw/zinc/19/57/18/278195718.db2.gz MJQAIRBCLWRFGI-QFBILLFUSA-N 2 2 343.471 1.366 10 0 EDAELP CC[C@H]1CN(CCC[NH+]2CCN(C(C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000249115590 281167035 /nfs/dbraw/zinc/16/70/35/281167035.db2.gz YMICUCZYGIUZTG-OALUTQOASA-N 2 2 340.556 1.180 10 0 EDAELP CC[C@H]1CN(CCC[NH+]2CCN(C(C)C)CC2)CC[N@H+]1C[C@H](C)O ZINC000249115590 281167036 /nfs/dbraw/zinc/16/70/36/281167036.db2.gz YMICUCZYGIUZTG-OALUTQOASA-N 2 2 340.556 1.180 10 0 EDAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000048216438 441272950 /nfs/dbraw/zinc/27/29/50/441272950.db2.gz UOCXSDBMVZEEMQ-NVXWUHKLSA-N 2 2 334.464 1.309 10 0 EDAELP CCC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OCC ZINC000114802784 441685509 /nfs/dbraw/zinc/68/55/09/441685509.db2.gz AYNVWMZKBLEBJX-KBPBESRZSA-N 2 2 335.452 1.809 10 0 EDAELP CCC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OCC ZINC000114802787 441685544 /nfs/dbraw/zinc/68/55/44/441685544.db2.gz AYNVWMZKBLEBJX-KGLIPLIRSA-N 2 2 335.452 1.809 10 0 EDAELP C[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000077793321 441862375 /nfs/dbraw/zinc/86/23/75/441862375.db2.gz RSJSZMNLWHLAGY-OAHLLOKOSA-N 2 2 334.464 1.268 10 0 EDAELP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173894561 441856976 /nfs/dbraw/zinc/85/69/76/441856976.db2.gz SAXNKJDMUMTUKR-INIZCTEOSA-N 2 2 335.452 1.088 10 0 EDAELP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000170830101 442271005 /nfs/dbraw/zinc/27/10/05/442271005.db2.gz XZUBPPMZGPNSNI-ROUUACIJSA-N 2 2 346.475 1.405 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000170923503 442289566 /nfs/dbraw/zinc/28/95/66/442289566.db2.gz OFWKGSRNSCOWBE-QGZVFWFLSA-N 2 2 338.496 1.271 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000170923503 442289568 /nfs/dbraw/zinc/28/95/68/442289568.db2.gz OFWKGSRNSCOWBE-QGZVFWFLSA-N 2 2 338.496 1.271 10 0 EDAELP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172749686 442532467 /nfs/dbraw/zinc/53/24/67/442532467.db2.gz DVGFHNPAZHZHRS-KRWDZBQOSA-N 2 2 325.497 1.822 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000157379399 442577952 /nfs/dbraw/zinc/57/79/52/442577952.db2.gz QBLVZKWQLRCHAD-GVDBMIGSSA-N 2 2 340.512 1.515 10 0 EDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000157379399 442577954 /nfs/dbraw/zinc/57/79/54/442577954.db2.gz QBLVZKWQLRCHAD-GVDBMIGSSA-N 2 2 340.512 1.515 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246750703 442810005 /nfs/dbraw/zinc/81/00/05/442810005.db2.gz QBLVZKWQLRCHAD-IXDOHACOSA-N 2 2 340.512 1.515 10 0 EDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246750703 442810007 /nfs/dbraw/zinc/81/00/07/442810007.db2.gz QBLVZKWQLRCHAD-IXDOHACOSA-N 2 2 340.512 1.515 10 0 EDAELP O[C@H](COc1ccccc1)CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183176115 442895144 /nfs/dbraw/zinc/89/51/44/442895144.db2.gz JEPMBGBWNZATBN-SFHVURJKSA-N 2 2 344.459 1.331 10 0 EDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000181834385 318491081 /nfs/dbraw/zinc/49/10/81/318491081.db2.gz XJIVVOZARYIDKR-OAHLLOKOSA-N 2 2 337.468 1.137 10 0 EDAELP Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCO1 ZINC000583615969 448441407 /nfs/dbraw/zinc/44/14/07/448441407.db2.gz YNKSJCRFXNUTOV-XJKSGUPXSA-N 2 2 325.372 1.718 10 0 EDAELP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173960496 534410190 /nfs/dbraw/zinc/41/01/90/534410190.db2.gz LIDFPVUZFQNMBV-QAPCUYQASA-N 2 2 340.427 1.665 10 0 EDAELP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516076 535087854 /nfs/dbraw/zinc/08/78/54/535087854.db2.gz QEOQROHXVBFBHV-CQSZACIVSA-N 2 2 333.436 1.360 10 0 EDAELP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516076 535087862 /nfs/dbraw/zinc/08/78/62/535087862.db2.gz QEOQROHXVBFBHV-CQSZACIVSA-N 2 2 333.436 1.360 10 0 EDAELP CCC[C@@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000245712044 535317276 /nfs/dbraw/zinc/31/72/76/535317276.db2.gz TVRMFABCKWZETC-HOCLYGCPSA-N 2 2 334.464 1.653 10 0 EDAELP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000184293442 235358187 /nfs/dbraw/zinc/35/81/87/235358187.db2.gz RAAHRHUFPWITAY-HKUYNNGSSA-N 2 2 346.519 1.302 10 0 EDAELP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000184293442 235358190 /nfs/dbraw/zinc/35/81/90/235358190.db2.gz RAAHRHUFPWITAY-HKUYNNGSSA-N 2 2 346.519 1.302 10 0 EDAELP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)n1 ZINC000131885044 138367551 /nfs/dbraw/zinc/36/75/51/138367551.db2.gz DAIAIJKNPZDDQB-JKSUJKDBSA-N 2 2 341.415 1.464 10 0 EDAELP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)n1 ZINC000131885044 138367553 /nfs/dbraw/zinc/36/75/53/138367553.db2.gz DAIAIJKNPZDDQB-JKSUJKDBSA-N 2 2 341.415 1.464 10 0 EDAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516193 139018917 /nfs/dbraw/zinc/01/89/17/139018917.db2.gz DTBWCDSEMGEANJ-OAHLLOKOSA-N 2 2 347.463 1.750 10 0 EDAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516193 139018918 /nfs/dbraw/zinc/01/89/18/139018918.db2.gz DTBWCDSEMGEANJ-OAHLLOKOSA-N 2 2 347.463 1.750 10 0 EDAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3cccnc3)C2)[nH+]1 ZINC000111213022 220112336 /nfs/dbraw/zinc/11/23/36/220112336.db2.gz FECWOUBPAADDTH-QGZVFWFLSA-N 2 2 339.443 1.835 10 0 EDAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3cccnc3)C2)[nH+]1 ZINC000111213022 220112340 /nfs/dbraw/zinc/11/23/40/220112340.db2.gz FECWOUBPAADDTH-QGZVFWFLSA-N 2 2 339.443 1.835 10 0 EDAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000246116757 139095614 /nfs/dbraw/zinc/09/56/14/139095614.db2.gz IDLDRJPEOIOCQY-CVEARBPZSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000246116757 139095615 /nfs/dbraw/zinc/09/56/15/139095615.db2.gz IDLDRJPEOIOCQY-CVEARBPZSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000246116757 139095616 /nfs/dbraw/zinc/09/56/16/139095616.db2.gz IDLDRJPEOIOCQY-CVEARBPZSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000246116757 139095617 /nfs/dbraw/zinc/09/56/17/139095617.db2.gz IDLDRJPEOIOCQY-CVEARBPZSA-N 2 2 338.496 1.365 10 0 EDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000247130046 139136926 /nfs/dbraw/zinc/13/69/26/139136926.db2.gz JIPKBLIYOCGZHS-HOCLYGCPSA-N 2 2 327.432 1.755 10 0 EDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000247130046 139136927 /nfs/dbraw/zinc/13/69/27/139136927.db2.gz JIPKBLIYOCGZHS-HOCLYGCPSA-N 2 2 327.432 1.755 10 0 EDAELP CC(C)[NH+](CCCNC(=O)NC[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000080665554 287308757 /nfs/dbraw/zinc/30/87/57/287308757.db2.gz FNLNMPQHIQWFTI-INIZCTEOSA-N 2 2 328.501 1.515 10 0 EDAELP [NH3+][C@@H](CC[N@@H+]1CCOC[C@@H]1CO)c1ccc(Br)cc1 ZINC000168994434 226230323 /nfs/dbraw/zinc/23/03/23/226230323.db2.gz OKFDHSBPWMIBDZ-KBPBESRZSA-N 2 2 329.238 1.532 10 0 EDAELP [NH3+][C@@H](CC[N@H+]1CCOC[C@@H]1CO)c1ccc(Br)cc1 ZINC000168994434 226230324 /nfs/dbraw/zinc/23/03/24/226230324.db2.gz OKFDHSBPWMIBDZ-KBPBESRZSA-N 2 2 329.238 1.532 10 0 EDAELP C[C@@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[NH+]1CCOCC1 ZINC000046262686 441096714 /nfs/dbraw/zinc/09/67/14/441096714.db2.gz KMVSJYTZCKHCKW-DOTOQJQBSA-N 2 2 340.512 1.517 10 0 EDAELP CC(C)[NH2+]C1CC[NH+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000170987125 442296387 /nfs/dbraw/zinc/29/63/87/442296387.db2.gz HDKRMVPCORSJBZ-HNNXBMFYSA-N 2 2 345.443 1.106 10 0 EDAELP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644126 442366257 /nfs/dbraw/zinc/36/62/57/442366257.db2.gz UFONXYPEVLIJRI-QWHCGFSZSA-N 2 2 342.451 1.410 10 0 EDAELP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644126 442366261 /nfs/dbraw/zinc/36/62/61/442366261.db2.gz UFONXYPEVLIJRI-QWHCGFSZSA-N 2 2 342.451 1.410 10 0 EDAELP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589973 442360129 /nfs/dbraw/zinc/36/01/29/442360129.db2.gz CBOWPWABGRVMRD-JKSUJKDBSA-N 2 2 335.496 1.583 10 0 EDAELP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589973 442360130 /nfs/dbraw/zinc/36/01/30/442360130.db2.gz CBOWPWABGRVMRD-JKSUJKDBSA-N 2 2 335.496 1.583 10 0 EDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3cccnc3)CC2)C1 ZINC000172162461 442417461 /nfs/dbraw/zinc/41/74/61/442417461.db2.gz JTCAYWHRRBITTI-IBGZPJMESA-N 2 2 332.492 1.351 10 0 EDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3cccnc3)CC2)C1 ZINC000172162461 442417466 /nfs/dbraw/zinc/41/74/66/442417466.db2.gz JTCAYWHRRBITTI-IBGZPJMESA-N 2 2 332.492 1.351 10 0 EDAELP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](O)C[NH+]3CCCCC3)c(C)n2n1 ZINC000179405279 442642945 /nfs/dbraw/zinc/64/29/45/442642945.db2.gz QFMHLQLSTHSZOV-ZBFHGGJFSA-N 2 2 331.464 1.844 10 0 EDAELP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000158166850 442651690 /nfs/dbraw/zinc/65/16/90/442651690.db2.gz UBALARPMWWUGEB-KRWDZBQOSA-N 2 2 348.491 1.527 10 0 EDAELP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000158166850 442651693 /nfs/dbraw/zinc/65/16/93/442651693.db2.gz UBALARPMWWUGEB-KRWDZBQOSA-N 2 2 348.491 1.527 10 0 EDAELP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000158166850 442651697 /nfs/dbraw/zinc/65/16/97/442651697.db2.gz UBALARPMWWUGEB-KRWDZBQOSA-N 2 2 348.491 1.527 10 0 EDAELP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000158166850 442651702 /nfs/dbraw/zinc/65/17/02/442651702.db2.gz UBALARPMWWUGEB-KRWDZBQOSA-N 2 2 348.491 1.527 10 0 EDAELP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C[N@H+]1Cc1ccccc1 ZINC000246535501 442790938 /nfs/dbraw/zinc/79/09/38/442790938.db2.gz LLGHIVRNOZHLHV-NJAFHUGGSA-N 2 2 346.475 1.279 10 0 EDAELP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000246535501 442790941 /nfs/dbraw/zinc/79/09/41/442790941.db2.gz LLGHIVRNOZHLHV-NJAFHUGGSA-N 2 2 346.475 1.279 10 0 EDAELP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000246535501 442790944 /nfs/dbraw/zinc/79/09/44/442790944.db2.gz LLGHIVRNOZHLHV-NJAFHUGGSA-N 2 2 346.475 1.279 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1C[C@H](C)O ZINC000246693092 442804873 /nfs/dbraw/zinc/80/48/73/442804873.db2.gz BPOPWFRMQHIPPW-QXAKKESOSA-N 2 2 347.503 1.463 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1C[C@H](C)O ZINC000246693092 442804877 /nfs/dbraw/zinc/80/48/77/442804877.db2.gz BPOPWFRMQHIPPW-QXAKKESOSA-N 2 2 347.503 1.463 10 0 EDAELP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644867 442912870 /nfs/dbraw/zinc/91/28/70/442912870.db2.gz FTSGCISJZOTFKN-ZBFHGGJFSA-N 2 2 347.463 1.070 10 0 EDAELP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248644867 442912874 /nfs/dbraw/zinc/91/28/74/442912874.db2.gz FTSGCISJZOTFKN-ZBFHGGJFSA-N 2 2 347.463 1.070 10 0 EDAELP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248644867 442912877 /nfs/dbraw/zinc/91/28/77/442912877.db2.gz FTSGCISJZOTFKN-ZBFHGGJFSA-N 2 2 347.463 1.070 10 0 EDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000195280318 443004194 /nfs/dbraw/zinc/00/41/94/443004194.db2.gz VLKPNANCODWKKF-QGZVFWFLSA-N 2 2 346.475 1.131 10 0 EDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000195280318 443004198 /nfs/dbraw/zinc/00/41/98/443004198.db2.gz VLKPNANCODWKKF-QGZVFWFLSA-N 2 2 346.475 1.131 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000195280318 443004204 /nfs/dbraw/zinc/00/42/04/443004204.db2.gz VLKPNANCODWKKF-QGZVFWFLSA-N 2 2 346.475 1.131 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000195280318 443004207 /nfs/dbraw/zinc/00/42/07/443004207.db2.gz VLKPNANCODWKKF-QGZVFWFLSA-N 2 2 346.475 1.131 10 0 EDAELP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2C)[N@H+](C)C1 ZINC000583618033 448447181 /nfs/dbraw/zinc/44/71/81/448447181.db2.gz WKGYUFGLXROBRY-RDJZCZTQSA-N 2 2 328.416 1.516 10 0 EDAELP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2C)[N@@H+](C)C1 ZINC000583618033 448447188 /nfs/dbraw/zinc/44/71/88/448447188.db2.gz WKGYUFGLXROBRY-RDJZCZTQSA-N 2 2 328.416 1.516 10 0 EDAELP COC[C@@]1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000638447372 451520324 /nfs/dbraw/zinc/52/03/24/451520324.db2.gz DDDTVTCPTKIYOI-QFBILLFUSA-N 2 2 331.460 1.488 10 0 EDAELP COC[C@@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000638447372 451520326 /nfs/dbraw/zinc/52/03/26/451520326.db2.gz DDDTVTCPTKIYOI-QFBILLFUSA-N 2 2 331.460 1.488 10 0 EDAELP CC[N@H+](C)[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173968891 527862706 /nfs/dbraw/zinc/86/27/06/527862706.db2.gz NPKLSFYZWORKQU-UHOSZYNNSA-N 2 2 345.487 1.859 10 0 EDAELP CC[N@@H+](C)[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173968891 527862712 /nfs/dbraw/zinc/86/27/12/527862712.db2.gz NPKLSFYZWORKQU-UHOSZYNNSA-N 2 2 345.487 1.859 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000261713604 535352576 /nfs/dbraw/zinc/35/25/76/535352576.db2.gz MTKYRUSAMRWNGU-CQSZACIVSA-N 2 2 341.402 1.963 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000261713604 535352578 /nfs/dbraw/zinc/35/25/78/535352578.db2.gz MTKYRUSAMRWNGU-CQSZACIVSA-N 2 2 341.402 1.963 10 0 EDAELP O[C@@H]1C[N@@H+]2Cc3cc4c(cc3[C@H]3[C@H]2C1=C[C@@H]1CCC[NH2+][C@H]31)OCO4 ZINC000004097644 560194899 /nfs/dbraw/zinc/19/48/99/560194899.db2.gz YZJARFWVCIXVDT-AJFPCFFHSA-N 2 2 326.396 1.366 10 0 in-vitro EDAELP O[C@@H]1C[N@H+]2Cc3cc4c(cc3[C@H]3[C@H]2C1=C[C@@H]1CCC[NH2+][C@H]31)OCO4 ZINC000004097644 560194901 /nfs/dbraw/zinc/19/49/01/560194901.db2.gz YZJARFWVCIXVDT-AJFPCFFHSA-N 2 2 326.396 1.366 10 0 in-vitro EDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000174998629 529406495 /nfs/dbraw/zinc/40/64/95/529406495.db2.gz FBGFJIAREJPJOS-HZPDHXFCSA-N 2 2 325.416 1.966 10 0 EDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000174998629 529406497 /nfs/dbraw/zinc/40/64/97/529406497.db2.gz FBGFJIAREJPJOS-HZPDHXFCSA-N 2 2 325.416 1.966 10 0 EDAELP C[C@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000184830068 540145225 /nfs/dbraw/zinc/14/52/25/540145225.db2.gz YIDGAJYUXMBAIH-JKSUJKDBSA-N 2 2 326.485 1.271 10 0 EDAELP C[C@H](CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1)N1CC[NH+](C)CC1 ZINC000112079676 220240101 /nfs/dbraw/zinc/24/01/01/220240101.db2.gz FXNVGQLATCBIRN-JKSUJKDBSA-N 2 2 332.496 1.761 10 0 EDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000245868834 139088101 /nfs/dbraw/zinc/08/81/01/139088101.db2.gz NAHGYKTUGYSMKA-JKSUJKDBSA-N 2 2 337.464 1.639 10 0 EDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000245868834 139088100 /nfs/dbraw/zinc/08/81/00/139088100.db2.gz NAHGYKTUGYSMKA-JKSUJKDBSA-N 2 2 337.464 1.639 10 0 EDAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246927437 139127337 /nfs/dbraw/zinc/12/73/37/139127337.db2.gz JIOLARMAYAGJRU-DLBZAZTESA-N 2 2 338.496 1.367 10 0 EDAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246927437 139127338 /nfs/dbraw/zinc/12/73/38/139127338.db2.gz JIOLARMAYAGJRU-DLBZAZTESA-N 2 2 338.496 1.367 10 0 EDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000247111740 139136120 /nfs/dbraw/zinc/13/61/20/139136120.db2.gz ISLSBSLGRAPSJD-RDJZCZTQSA-N 2 2 343.475 1.929 10 0 EDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000247111740 139136121 /nfs/dbraw/zinc/13/61/21/139136121.db2.gz ISLSBSLGRAPSJD-RDJZCZTQSA-N 2 2 343.475 1.929 10 0 EDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000247472924 139149757 /nfs/dbraw/zinc/14/97/57/139149757.db2.gz RVZONBPBLXFXRC-SJORKVTESA-N 2 2 346.475 1.092 10 0 EDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000247472924 139149758 /nfs/dbraw/zinc/14/97/58/139149758.db2.gz RVZONBPBLXFXRC-SJORKVTESA-N 2 2 346.475 1.092 10 0 EDAELP COc1c(O)cccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261866561 139232581 /nfs/dbraw/zinc/23/25/81/139232581.db2.gz ZASRTQALKBHNSG-UHFFFAOYSA-N 2 2 343.431 1.475 10 0 EDAELP C[C@H](C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1C[NH2+]C1 ZINC000262373383 139274110 /nfs/dbraw/zinc/27/41/10/139274110.db2.gz LYVQAMWNGSRBMQ-VIFPVBQESA-N 2 2 337.221 1.569 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@@H]1C ZINC000117479250 221069130 /nfs/dbraw/zinc/06/91/30/221069130.db2.gz DYJZZZYQZRMJQC-INIZCTEOSA-N 2 2 349.479 1.554 10 0 EDAELP COCC[N@H+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@@H]1C ZINC000117479250 221069133 /nfs/dbraw/zinc/06/91/33/221069133.db2.gz DYJZZZYQZRMJQC-INIZCTEOSA-N 2 2 349.479 1.554 10 0 EDAELP Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000154780665 224304156 /nfs/dbraw/zinc/30/41/56/224304156.db2.gz QHPZDERAUZORKJ-INIZCTEOSA-N 2 2 333.476 1.873 10 0 EDAELP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900710 227350373 /nfs/dbraw/zinc/35/03/73/227350373.db2.gz KZXHDSIWHXXGMG-OAHLLOKOSA-N 2 2 326.404 1.257 10 0 EDAELP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900710 227350379 /nfs/dbraw/zinc/35/03/79/227350379.db2.gz KZXHDSIWHXXGMG-OAHLLOKOSA-N 2 2 326.404 1.257 10 0 EDAELP CC1(C)CC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC(C)(C)[NH2+]1 ZINC000173770310 278189989 /nfs/dbraw/zinc/18/99/89/278189989.db2.gz JBERESBXWYSDJH-OAHLLOKOSA-N 2 2 338.496 1.412 10 0 EDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)CC(C)C ZINC000105106276 441234518 /nfs/dbraw/zinc/23/45/18/441234518.db2.gz LZHYFYCFXGIGPM-CVEARBPZSA-N 2 2 328.501 1.373 10 0 EDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)CC(C)C ZINC000105106276 441234520 /nfs/dbraw/zinc/23/45/20/441234520.db2.gz LZHYFYCFXGIGPM-CVEARBPZSA-N 2 2 328.501 1.373 10 0 EDAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)cn1 ZINC000105834575 441287168 /nfs/dbraw/zinc/28/71/68/441287168.db2.gz BAMCEOSYHXIXRI-UHFFFAOYSA-N 2 2 335.496 1.668 10 0 EDAELP CCCn1cc(C[N@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)cn1 ZINC000105834575 441287175 /nfs/dbraw/zinc/28/71/75/441287175.db2.gz BAMCEOSYHXIXRI-UHFFFAOYSA-N 2 2 335.496 1.668 10 0 EDAELP CCCn1cc(C[NH+]2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)cn1 ZINC000105834575 441287180 /nfs/dbraw/zinc/28/71/80/441287180.db2.gz BAMCEOSYHXIXRI-UHFFFAOYSA-N 2 2 335.496 1.668 10 0 EDAELP CCCn1cc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)cn1 ZINC000105834575 441287183 /nfs/dbraw/zinc/28/71/83/441287183.db2.gz BAMCEOSYHXIXRI-UHFFFAOYSA-N 2 2 335.496 1.668 10 0 EDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000106458647 441345204 /nfs/dbraw/zinc/34/52/04/441345204.db2.gz QAQUTJXFDLZAGO-GOSISDBHSA-N 2 2 333.476 1.388 10 0 EDAELP C[C@H](CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000175466529 442067919 /nfs/dbraw/zinc/06/79/19/442067919.db2.gz OVXGWRYMXIVYJO-SJLPKXTDSA-N 2 2 348.491 1.527 10 0 EDAELP C[C@H](CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000175466529 442067923 /nfs/dbraw/zinc/06/79/23/442067923.db2.gz OVXGWRYMXIVYJO-SJLPKXTDSA-N 2 2 348.491 1.527 10 0 EDAELP C[C@H](CCNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000175466529 442067928 /nfs/dbraw/zinc/06/79/28/442067928.db2.gz OVXGWRYMXIVYJO-SJLPKXTDSA-N 2 2 348.491 1.527 10 0 EDAELP C[C@H](CCNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000175466529 442067932 /nfs/dbraw/zinc/06/79/32/442067932.db2.gz OVXGWRYMXIVYJO-SJLPKXTDSA-N 2 2 348.491 1.527 10 0 EDAELP C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[NH+]1CCOCC1 ZINC000079733989 442082926 /nfs/dbraw/zinc/08/29/26/442082926.db2.gz GRQGGPGWZGNIBL-FUHWJXTLSA-N 2 2 348.491 1.179 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000151810479 442123949 /nfs/dbraw/zinc/12/39/49/442123949.db2.gz IDKHOMZYYOGBIE-OAHLLOKOSA-N 2 2 335.452 1.124 10 0 EDAELP CCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+](CC)C3CC3)CC2)cn1 ZINC000152273473 442191638 /nfs/dbraw/zinc/19/16/38/442191638.db2.gz BTTKWAKWJJJXDQ-UHFFFAOYSA-N 2 2 333.480 1.422 10 0 EDAELP CCn1cc(C[N@H+]2CCCN(C(=O)C[NH+](CC)C3CC3)CC2)cn1 ZINC000152273473 442191641 /nfs/dbraw/zinc/19/16/41/442191641.db2.gz BTTKWAKWJJJXDQ-UHFFFAOYSA-N 2 2 333.480 1.422 10 0 EDAELP CCn1cc(C[NH+]2CCCN(C(=O)C[N@H+](CC)C3CC3)CC2)cn1 ZINC000152273473 442191642 /nfs/dbraw/zinc/19/16/42/442191642.db2.gz BTTKWAKWJJJXDQ-UHFFFAOYSA-N 2 2 333.480 1.422 10 0 EDAELP CCn1cc(C[NH+]2CCCN(C(=O)C[N@@H+](CC)C3CC3)CC2)cn1 ZINC000152273473 442191643 /nfs/dbraw/zinc/19/16/43/442191643.db2.gz BTTKWAKWJJJXDQ-UHFFFAOYSA-N 2 2 333.480 1.422 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000152094996 442163967 /nfs/dbraw/zinc/16/39/67/442163967.db2.gz XIUOXVARYORUSA-JKSUJKDBSA-N 2 2 326.485 1.127 10 0 EDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000152094996 442163970 /nfs/dbraw/zinc/16/39/70/442163970.db2.gz XIUOXVARYORUSA-JKSUJKDBSA-N 2 2 326.485 1.127 10 0 EDAELP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000177378698 442333725 /nfs/dbraw/zinc/33/37/25/442333725.db2.gz OULXKNKOWIRHME-BRWVUGGUSA-N 2 2 349.479 1.556 10 0 EDAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCOC)C12CCOCC2 ZINC000186314313 442510334 /nfs/dbraw/zinc/51/03/34/442510334.db2.gz UFJJKQRFTBAKAU-GVDBMIGSSA-N 2 2 326.481 1.661 10 0 EDAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCOC)C12CCOCC2 ZINC000186314313 442510336 /nfs/dbraw/zinc/51/03/36/442510336.db2.gz UFJJKQRFTBAKAU-GVDBMIGSSA-N 2 2 326.481 1.661 10 0 EDAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](CC)[NH+](C)C)CC2)cn1 ZINC000164286144 528841897 /nfs/dbraw/zinc/84/18/97/528841897.db2.gz ZLMQDXPIZLYPMJ-KRWDZBQOSA-N 2 2 335.496 1.668 10 0 EDAELP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H](CC)[NH+](C)C)CC2)cn1 ZINC000164286144 528841901 /nfs/dbraw/zinc/84/19/01/528841901.db2.gz ZLMQDXPIZLYPMJ-KRWDZBQOSA-N 2 2 335.496 1.668 10 0 EDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3ccccn3)CC2)C1 ZINC000246405628 535215490 /nfs/dbraw/zinc/21/54/90/535215490.db2.gz QYCPHUCLDARYGC-MSOLQXFVSA-N 2 2 332.492 1.869 10 0 EDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3ccccn3)CC2)C1 ZINC000246405628 535215493 /nfs/dbraw/zinc/21/54/93/535215493.db2.gz QYCPHUCLDARYGC-MSOLQXFVSA-N 2 2 332.492 1.869 10 0 EDAELP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C2 ZINC000888097997 591027461 /nfs/dbraw/zinc/02/74/61/591027461.db2.gz WVLPSSIAKWUSDE-KONPQCLYSA-N 3 2 335.496 1.055 10 0 EDAELP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C2 ZINC000888097997 591027466 /nfs/dbraw/zinc/02/74/66/591027466.db2.gz WVLPSSIAKWUSDE-KONPQCLYSA-N 3 2 335.496 1.055 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174624112 529374985 /nfs/dbraw/zinc/37/49/85/529374985.db2.gz FBWDVJWXPGLDNH-KBAYOESNSA-N 2 2 333.476 1.593 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C[C@@H](C)O ZINC000174624112 529374986 /nfs/dbraw/zinc/37/49/86/529374986.db2.gz FBWDVJWXPGLDNH-KBAYOESNSA-N 2 2 333.476 1.593 10 0 EDAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000168180427 529962317 /nfs/dbraw/zinc/96/23/17/529962317.db2.gz FBJVZWFYMMIHPA-HUUCEWRRSA-N 2 2 337.489 1.722 10 0 EDAELP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195292179 139012745 /nfs/dbraw/zinc/01/27/45/139012745.db2.gz LWVNVAXREFLBGN-PKOBYXMFSA-N 2 2 332.492 1.556 10 0 EDAELP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195292179 139012746 /nfs/dbraw/zinc/01/27/46/139012746.db2.gz LWVNVAXREFLBGN-PKOBYXMFSA-N 2 2 332.492 1.556 10 0 EDAELP C[C@@H](CN1CCOCC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195292179 139012747 /nfs/dbraw/zinc/01/27/47/139012747.db2.gz LWVNVAXREFLBGN-PKOBYXMFSA-N 2 2 332.492 1.556 10 0 EDAELP C[C@@H](CN1CCOCC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195292179 139012748 /nfs/dbraw/zinc/01/27/48/139012748.db2.gz LWVNVAXREFLBGN-PKOBYXMFSA-N 2 2 332.492 1.556 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000246491486 139110547 /nfs/dbraw/zinc/11/05/47/139110547.db2.gz SIFUFHYTSHOMDT-QZTJIDSGSA-N 2 2 346.475 1.453 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000246491486 139110548 /nfs/dbraw/zinc/11/05/48/139110548.db2.gz SIFUFHYTSHOMDT-QZTJIDSGSA-N 2 2 346.475 1.453 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000247159278 139138115 /nfs/dbraw/zinc/13/81/15/139138115.db2.gz QKRCEINLSKWLBH-WMZOPIPTSA-N 2 2 333.476 1.338 10 0 EDAELP COCC[N@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000247159278 139138116 /nfs/dbraw/zinc/13/81/16/139138116.db2.gz QKRCEINLSKWLBH-WMZOPIPTSA-N 2 2 333.476 1.338 10 0 EDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000246107472 288315832 /nfs/dbraw/zinc/31/58/32/288315832.db2.gz HNYGPFVUWVWLCJ-HOTGVXAUSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000246107472 288315833 /nfs/dbraw/zinc/31/58/33/288315833.db2.gz HNYGPFVUWVWLCJ-HOTGVXAUSA-N 2 2 338.496 1.365 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000104782111 441208059 /nfs/dbraw/zinc/20/80/59/441208059.db2.gz QSNYRRUQBFEGRM-SFHVURJKSA-N 2 2 346.475 1.412 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000104782111 441208062 /nfs/dbraw/zinc/20/80/62/441208062.db2.gz QSNYRRUQBFEGRM-SFHVURJKSA-N 2 2 346.475 1.412 10 0 EDAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104791492 441209501 /nfs/dbraw/zinc/20/95/01/441209501.db2.gz MHZYMYMTYBBYNA-OWCLPIDISA-N 2 2 340.512 1.373 10 0 EDAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104791492 441209505 /nfs/dbraw/zinc/20/95/05/441209505.db2.gz MHZYMYMTYBBYNA-OWCLPIDISA-N 2 2 340.512 1.373 10 0 EDAELP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000104791492 441209507 /nfs/dbraw/zinc/20/95/07/441209507.db2.gz MHZYMYMTYBBYNA-OWCLPIDISA-N 2 2 340.512 1.373 10 0 EDAELP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000104791492 441209511 /nfs/dbraw/zinc/20/95/11/441209511.db2.gz MHZYMYMTYBBYNA-OWCLPIDISA-N 2 2 340.512 1.373 10 0 EDAELP O=C(Cn1c(=O)oc2ccccc21)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000072288084 441221125 /nfs/dbraw/zinc/22/11/25/441221125.db2.gz LRLLAFQNTQVTHK-UHFFFAOYSA-N 2 2 335.323 1.814 10 0 EDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000106426260 441343240 /nfs/dbraw/zinc/34/32/40/441343240.db2.gz WLHDYEAVCAMKAB-QGZVFWFLSA-N 2 2 333.476 1.386 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)N(C)C(C)C)nc[nH+]1 ZINC000175184788 442012186 /nfs/dbraw/zinc/01/21/86/442012186.db2.gz SGIXVLAPZLAEMA-KBPBESRZSA-N 2 2 334.468 1.332 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000176153955 442183328 /nfs/dbraw/zinc/18/33/28/442183328.db2.gz WSKGTRKGCQEBPQ-ROUUACIJSA-N 2 2 349.450 1.627 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000176153955 442183333 /nfs/dbraw/zinc/18/33/33/442183333.db2.gz WSKGTRKGCQEBPQ-ROUUACIJSA-N 2 2 349.450 1.627 10 0 EDAELP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000176153955 442183338 /nfs/dbraw/zinc/18/33/38/442183338.db2.gz WSKGTRKGCQEBPQ-ROUUACIJSA-N 2 2 349.450 1.627 10 0 EDAELP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000176153955 442183343 /nfs/dbraw/zinc/18/33/43/442183343.db2.gz WSKGTRKGCQEBPQ-ROUUACIJSA-N 2 2 349.450 1.627 10 0 EDAELP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)S1 ZINC000127050501 442165368 /nfs/dbraw/zinc/16/53/68/442165368.db2.gz GHCYFNFGKYERHI-NVXWUHKLSA-N 2 2 349.500 1.673 10 0 EDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)[NH+]1CCSCC1)C2 ZINC000152537150 442223419 /nfs/dbraw/zinc/22/34/19/442223419.db2.gz CVRVFQNDLUTBAQ-CYBMUJFWSA-N 2 2 336.505 1.866 10 0 EDAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171890992 442387495 /nfs/dbraw/zinc/38/74/95/442387495.db2.gz ZQRXRKLLJDFUND-KRWDZBQOSA-N 2 2 344.459 1.831 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000179253839 442606627 /nfs/dbraw/zinc/60/66/27/442606627.db2.gz XNRMCXVGLFMULJ-MRXNPFEDSA-N 2 2 340.512 1.517 10 0 EDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000179253839 442606628 /nfs/dbraw/zinc/60/66/28/442606628.db2.gz XNRMCXVGLFMULJ-MRXNPFEDSA-N 2 2 340.512 1.517 10 0 EDAELP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000179253839 442606633 /nfs/dbraw/zinc/60/66/33/442606633.db2.gz XNRMCXVGLFMULJ-MRXNPFEDSA-N 2 2 340.512 1.517 10 0 EDAELP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000179253839 442606637 /nfs/dbraw/zinc/60/66/37/442606637.db2.gz XNRMCXVGLFMULJ-MRXNPFEDSA-N 2 2 340.512 1.517 10 0 EDAELP C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003748 442562625 /nfs/dbraw/zinc/56/26/25/442562625.db2.gz YOWXMWSYSJJTBF-KRWDZBQOSA-N 2 2 346.475 1.765 10 0 EDAELP C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003748 442562630 /nfs/dbraw/zinc/56/26/30/442562630.db2.gz YOWXMWSYSJJTBF-KRWDZBQOSA-N 2 2 346.475 1.765 10 0 EDAELP Cc1ccc(NCCCNC(=O)NC[C@@H](C)[NH+]2CCOCC2)[nH+]c1 ZINC000193438221 442742649 /nfs/dbraw/zinc/74/26/49/442742649.db2.gz HNCOMHMRXHRYMA-OAHLLOKOSA-N 2 2 335.452 1.212 10 0 EDAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246535160 442790585 /nfs/dbraw/zinc/79/05/85/442790585.db2.gz VZOBMVZOXQCBBB-XHSDSOJGSA-N 2 2 326.485 1.079 10 0 EDAELP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246535160 442790590 /nfs/dbraw/zinc/79/05/90/442790590.db2.gz VZOBMVZOXQCBBB-XHSDSOJGSA-N 2 2 326.485 1.079 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1C[C@@H](C)O ZINC000246693071 442804063 /nfs/dbraw/zinc/80/40/63/442804063.db2.gz BPOPWFRMQHIPPW-QRQLOZEOSA-N 2 2 347.503 1.463 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1C[C@@H](C)O ZINC000246693071 442804069 /nfs/dbraw/zinc/80/40/69/442804069.db2.gz BPOPWFRMQHIPPW-QRQLOZEOSA-N 2 2 347.503 1.463 10 0 EDAELP O[C@@H](COc1ccccc1)CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183176094 442895006 /nfs/dbraw/zinc/89/50/06/442895006.db2.gz JEPMBGBWNZATBN-GOSISDBHSA-N 2 2 344.459 1.331 10 0 EDAELP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000249528627 442982332 /nfs/dbraw/zinc/98/23/32/442982332.db2.gz WCHLGUHFVLJCBU-IRXDYDNUSA-N 2 2 340.512 1.518 10 0 EDAELP C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000249528627 442982336 /nfs/dbraw/zinc/98/23/36/442982336.db2.gz WCHLGUHFVLJCBU-IRXDYDNUSA-N 2 2 340.512 1.518 10 0 EDAELP CN(C)c1cc(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C(F)(F)F)cc[nH+]1 ZINC000299745759 444133408 /nfs/dbraw/zinc/13/34/08/444133408.db2.gz SEBLBXMIZYTLDJ-VXGBXAGGSA-N 2 2 330.354 1.504 10 0 EDAELP CN(C)c1cc(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C(F)(F)F)cc[nH+]1 ZINC000299745759 444133410 /nfs/dbraw/zinc/13/34/10/444133410.db2.gz SEBLBXMIZYTLDJ-VXGBXAGGSA-N 2 2 330.354 1.504 10 0 EDAELP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249894300 535539758 /nfs/dbraw/zinc/53/97/58/535539758.db2.gz REQJOEFWIIGMTC-CVEARBPZSA-N 2 2 334.464 1.747 10 0 EDAELP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249894300 535539763 /nfs/dbraw/zinc/53/97/63/535539763.db2.gz REQJOEFWIIGMTC-CVEARBPZSA-N 2 2 334.464 1.747 10 0 EDAELP CC[N@H+](C)[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1ccccc1 ZINC000246995343 535761557 /nfs/dbraw/zinc/76/15/57/535761557.db2.gz NPKLSFYZWORKQU-WDSOQIARSA-N 2 2 345.487 1.859 10 0 EDAELP CC[N@@H+](C)[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1ccccc1 ZINC000246995343 535761561 /nfs/dbraw/zinc/76/15/61/535761561.db2.gz NPKLSFYZWORKQU-WDSOQIARSA-N 2 2 345.487 1.859 10 0 EDAELP C[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)ccn1 ZINC000888103202 591031600 /nfs/dbraw/zinc/03/16/00/591031600.db2.gz ONRYYKPFQZGZIG-QGZVFWFLSA-N 2 2 343.431 1.479 10 0 EDAELP C[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)ccn1 ZINC000888103202 591031606 /nfs/dbraw/zinc/03/16/06/591031606.db2.gz ONRYYKPFQZGZIG-QGZVFWFLSA-N 2 2 343.431 1.479 10 0 EDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000174761090 529405673 /nfs/dbraw/zinc/40/56/73/529405673.db2.gz ZAAAPQKROKODNE-YLFCFFPRSA-N 2 2 338.496 1.364 10 0 EDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000174761090 529405676 /nfs/dbraw/zinc/40/56/76/529405676.db2.gz ZAAAPQKROKODNE-YLFCFFPRSA-N 2 2 338.496 1.364 10 0 EDAELP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000105282997 283023987 /nfs/dbraw/zinc/02/39/87/283023987.db2.gz ADFLMFSUNKTHJB-SJORKVTESA-N 2 2 332.448 1.015 10 0 EDAELP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000105282997 283023989 /nfs/dbraw/zinc/02/39/89/283023989.db2.gz ADFLMFSUNKTHJB-SJORKVTESA-N 2 2 332.448 1.015 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000105282997 283023990 /nfs/dbraw/zinc/02/39/90/283023990.db2.gz ADFLMFSUNKTHJB-SJORKVTESA-N 2 2 332.448 1.015 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000105282997 283023991 /nfs/dbraw/zinc/02/39/91/283023991.db2.gz ADFLMFSUNKTHJB-SJORKVTESA-N 2 2 332.448 1.015 10 0 EDAELP CC1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000104789035 535277040 /nfs/dbraw/zinc/27/70/40/535277040.db2.gz JEGCRCWQAINXEO-INIZCTEOSA-N 2 2 326.485 1.128 10 0 EDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000105845511 204168867 /nfs/dbraw/zinc/16/88/67/204168867.db2.gz CDQKGYVLXRIKMD-HXUWFJFHSA-N 2 2 347.503 1.792 10 0 EDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000105845511 204168871 /nfs/dbraw/zinc/16/88/71/204168871.db2.gz CDQKGYVLXRIKMD-HXUWFJFHSA-N 2 2 347.503 1.792 10 0 EDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC2CCCC2)C1 ZINC000195290857 139012726 /nfs/dbraw/zinc/01/27/26/139012726.db2.gz SKQRBOUKCBUJBM-QGZVFWFLSA-N 2 2 330.476 1.894 10 0 EDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC2CCCC2)C1 ZINC000195290857 139012727 /nfs/dbraw/zinc/01/27/27/139012727.db2.gz SKQRBOUKCBUJBM-QGZVFWFLSA-N 2 2 330.476 1.894 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000195290857 139012728 /nfs/dbraw/zinc/01/27/28/139012728.db2.gz SKQRBOUKCBUJBM-QGZVFWFLSA-N 2 2 330.476 1.894 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000195290857 139012729 /nfs/dbraw/zinc/01/27/29/139012729.db2.gz SKQRBOUKCBUJBM-QGZVFWFLSA-N 2 2 330.476 1.894 10 0 EDAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000247518647 139151162 /nfs/dbraw/zinc/15/11/62/139151162.db2.gz WMSBEYVXZXTFHO-HOTGVXAUSA-N 2 2 326.485 1.271 10 0 EDAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000247518647 139151163 /nfs/dbraw/zinc/15/11/63/139151163.db2.gz WMSBEYVXZXTFHO-HOTGVXAUSA-N 2 2 326.485 1.271 10 0 EDAELP CC[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1C[C@H](C)O ZINC000248506340 139166268 /nfs/dbraw/zinc/16/62/68/139166268.db2.gz WSELYDHDWLKECE-HOCLYGCPSA-N 2 2 345.447 1.321 10 0 EDAELP CC[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1C[C@H](C)O ZINC000248506340 139166269 /nfs/dbraw/zinc/16/62/69/139166269.db2.gz WSELYDHDWLKECE-HOCLYGCPSA-N 2 2 345.447 1.321 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261609396 139210539 /nfs/dbraw/zinc/21/05/39/139210539.db2.gz BAXLLNNPXJGUPR-OAHLLOKOSA-N 2 2 339.867 1.894 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261609396 139210540 /nfs/dbraw/zinc/21/05/40/139210540.db2.gz BAXLLNNPXJGUPR-OAHLLOKOSA-N 2 2 339.867 1.894 10 0 EDAELP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261610364 139210673 /nfs/dbraw/zinc/21/06/73/139210673.db2.gz BEISCUINMVLBLY-DZGCQCFKSA-N 2 2 332.448 1.460 10 0 EDAELP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261610364 139210674 /nfs/dbraw/zinc/21/06/74/139210674.db2.gz BEISCUINMVLBLY-DZGCQCFKSA-N 2 2 332.448 1.460 10 0 EDAELP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000261655558 139214829 /nfs/dbraw/zinc/21/48/29/139214829.db2.gz FJOPWJZAORTZFY-CZUORRHYSA-N 2 2 337.851 1.534 10 0 EDAELP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261658835 139215025 /nfs/dbraw/zinc/21/50/25/139215025.db2.gz IDGNIMALKAXMNP-FUHWJXTLSA-N 2 2 344.503 1.783 10 0 EDAELP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261658835 139215026 /nfs/dbraw/zinc/21/50/26/139215026.db2.gz IDGNIMALKAXMNP-FUHWJXTLSA-N 2 2 344.503 1.783 10 0 EDAELP C[C@@H]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000262692931 139296784 /nfs/dbraw/zinc/29/67/84/139296784.db2.gz ALYOQAJMXJXQQR-VYDXJSESSA-N 2 2 342.447 1.727 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000247121321 279343006 /nfs/dbraw/zinc/34/30/06/279343006.db2.gz RSHUFUOQRWZGME-WBVHZDCISA-N 3 2 333.480 1.209 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000247121321 279343008 /nfs/dbraw/zinc/34/30/08/279343008.db2.gz RSHUFUOQRWZGME-WBVHZDCISA-N 3 2 333.480 1.209 10 0 EDAELP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000105093949 441231988 /nfs/dbraw/zinc/23/19/88/441231988.db2.gz VRSLJCJAVRHEJF-BQFCYCMXSA-N 2 2 348.491 1.698 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000105904186 441314524 /nfs/dbraw/zinc/31/45/24/441314524.db2.gz YICMHFCCRAHTAT-IKGGRYGDSA-N 2 2 337.464 1.639 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000105904186 441314526 /nfs/dbraw/zinc/31/45/26/441314526.db2.gz YICMHFCCRAHTAT-IKGGRYGDSA-N 2 2 337.464 1.639 10 0 EDAELP C[C@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000136812292 441725727 /nfs/dbraw/zinc/72/57/27/441725727.db2.gz RASSPJKMSZEKHM-MRXNPFEDSA-N 2 2 338.496 1.367 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)NCCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000175464487 442067958 /nfs/dbraw/zinc/06/79/58/442067958.db2.gz LTFAXXRJQPOPNW-HNNXBMFYSA-N 2 2 337.468 1.334 10 0 EDAELP COCC[N@H+]1CCN(C(=O)NCCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000175464487 442067965 /nfs/dbraw/zinc/06/79/65/442067965.db2.gz LTFAXXRJQPOPNW-HNNXBMFYSA-N 2 2 337.468 1.334 10 0 EDAELP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000162503301 442098241 /nfs/dbraw/zinc/09/82/41/442098241.db2.gz QZOLVYCVEPBQNT-HKUYNNGSSA-N 2 2 331.460 1.133 10 0 EDAELP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000162503301 442098247 /nfs/dbraw/zinc/09/82/47/442098247.db2.gz QZOLVYCVEPBQNT-HKUYNNGSSA-N 2 2 331.460 1.133 10 0 EDAELP C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000175667815 442102729 /nfs/dbraw/zinc/10/27/29/442102729.db2.gz LYLJCDATLOHMDD-ZBFHGGJFSA-N 2 2 347.463 1.010 10 0 EDAELP Cc1ccc(NCCCNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)[nH+]c1 ZINC000121394844 442211662 /nfs/dbraw/zinc/21/16/62/442211662.db2.gz OGOTYHYJVWQMRJ-HZPDHXFCSA-N 2 2 349.479 1.289 10 0 EDAELP Cc1ccc(NCCCNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)[nH+]c1 ZINC000121394844 442211666 /nfs/dbraw/zinc/21/16/66/442211666.db2.gz OGOTYHYJVWQMRJ-HZPDHXFCSA-N 2 2 349.479 1.289 10 0 EDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000177296652 442325440 /nfs/dbraw/zinc/32/54/40/442325440.db2.gz BIACUFHVLHTQCT-HNNXBMFYSA-N 2 2 326.485 1.223 10 0 EDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000177296652 442325441 /nfs/dbraw/zinc/32/54/41/442325441.db2.gz BIACUFHVLHTQCT-HNNXBMFYSA-N 2 2 326.485 1.223 10 0 EDAELP C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000171079835 442308063 /nfs/dbraw/zinc/30/80/63/442308063.db2.gz XFXRDYCEMDNLCP-MRXNPFEDSA-N 2 2 332.448 1.687 10 0 EDAELP CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000186256191 442497277 /nfs/dbraw/zinc/49/72/77/442497277.db2.gz WTPOSRUGZDCUAR-HNNXBMFYSA-N 2 2 331.420 1.766 10 0 EDAELP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000186256191 442497283 /nfs/dbraw/zinc/49/72/83/442497283.db2.gz WTPOSRUGZDCUAR-HNNXBMFYSA-N 2 2 331.420 1.766 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246750716 442809841 /nfs/dbraw/zinc/80/98/41/442809841.db2.gz QBLVZKWQLRCHAD-YESZJQIVSA-N 2 2 340.512 1.515 10 0 EDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246750716 442809844 /nfs/dbraw/zinc/80/98/44/442809844.db2.gz QBLVZKWQLRCHAD-YESZJQIVSA-N 2 2 340.512 1.515 10 0 EDAELP CCn1c(C)nnc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182969941 442857483 /nfs/dbraw/zinc/85/74/83/442857483.db2.gz NHSPFFWXJIVBSB-UHFFFAOYSA-N 2 2 335.496 1.931 10 0 EDAELP Cc1c(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)cnn1C ZINC000657802338 452538885 /nfs/dbraw/zinc/53/88/85/452538885.db2.gz YTBWDLSQVSWMRW-LJQANCHMSA-N 2 2 327.476 1.634 10 0 EDAELP Cc1c(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)cnn1C ZINC000657802338 452538894 /nfs/dbraw/zinc/53/88/94/452538894.db2.gz YTBWDLSQVSWMRW-LJQANCHMSA-N 2 2 327.476 1.634 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000662941277 453617386 /nfs/dbraw/zinc/61/73/86/453617386.db2.gz VHSGAAZJOATCRO-OTWHNJEPSA-N 2 2 344.503 1.294 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000662941277 453617389 /nfs/dbraw/zinc/61/73/89/453617389.db2.gz VHSGAAZJOATCRO-OTWHNJEPSA-N 2 2 344.503 1.294 10 0 EDAELP C[C@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173959517 533890142 /nfs/dbraw/zinc/89/01/42/533890142.db2.gz DXMVLZDMNPLQDD-GOEBONIOSA-N 2 2 341.415 1.060 10 0 EDAELP CC[NH2+][C@@H](Cc1ccc(Br)cn1)[C@H]1C[NH+]2CCN1CC2 ZINC000167939185 528391664 /nfs/dbraw/zinc/39/16/64/528391664.db2.gz KTXXDVHKPHJNKE-LSDHHAIUSA-N 2 2 339.281 1.365 10 0 EDAELP CC1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000104789035 535277036 /nfs/dbraw/zinc/27/70/36/535277036.db2.gz JEGCRCWQAINXEO-INIZCTEOSA-N 2 2 326.485 1.128 10 0 EDAELP CN(C)c1cc(NC(=O)CN2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000022457912 202085064 /nfs/dbraw/zinc/08/50/64/202085064.db2.gz GNXBSNHSDYSITD-UHFFFAOYSA-N 2 2 327.432 1.487 10 0 EDAELP CCOC(=O)CCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105846154 138302062 /nfs/dbraw/zinc/30/20/62/138302062.db2.gz VRFBCKZEJSUKRE-KRWDZBQOSA-N 2 2 341.496 1.057 10 0 EDAELP CCOC(=O)CCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105846154 138302063 /nfs/dbraw/zinc/30/20/63/138302063.db2.gz VRFBCKZEJSUKRE-KRWDZBQOSA-N 2 2 341.496 1.057 10 0 EDAELP O[C@H](COCc1ccco1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195519378 139019576 /nfs/dbraw/zinc/01/95/76/139019576.db2.gz LQJQTCVXBXPODW-CVEARBPZSA-N 2 2 331.416 1.986 10 0 EDAELP O[C@H](COCc1ccco1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195519378 139019577 /nfs/dbraw/zinc/01/95/77/139019577.db2.gz LQJQTCVXBXPODW-CVEARBPZSA-N 2 2 331.416 1.986 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000247127299 139136779 /nfs/dbraw/zinc/13/67/79/139136779.db2.gz SAGFKCCQWHTMQJ-OLZOCXBDSA-N 2 2 330.354 1.819 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000247127299 139136780 /nfs/dbraw/zinc/13/67/80/139136780.db2.gz SAGFKCCQWHTMQJ-OLZOCXBDSA-N 2 2 330.354 1.819 10 0 EDAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]4CCCC[C@H]4C3)cc2C1 ZINC000247134701 139137310 /nfs/dbraw/zinc/13/73/10/139137310.db2.gz SOIIDTFDPMMDAA-KRWDZBQOSA-N 2 2 342.443 1.267 10 0 EDAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]4CCCC[C@H]4C3)cc2C1 ZINC000247134701 139137311 /nfs/dbraw/zinc/13/73/11/139137311.db2.gz SOIIDTFDPMMDAA-KRWDZBQOSA-N 2 2 342.443 1.267 10 0 EDAELP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2C1 ZINC000247134701 139137312 /nfs/dbraw/zinc/13/73/12/139137312.db2.gz SOIIDTFDPMMDAA-KRWDZBQOSA-N 2 2 342.443 1.267 10 0 EDAELP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)cc2C1 ZINC000247134701 139137313 /nfs/dbraw/zinc/13/73/13/139137313.db2.gz SOIIDTFDPMMDAA-KRWDZBQOSA-N 2 2 342.443 1.267 10 0 EDAELP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccccc2-n2cc[nH+]c2)cn1 ZINC000262286570 139266742 /nfs/dbraw/zinc/26/67/42/139266742.db2.gz OHCYKCGPSURVJA-CABCVRRESA-N 2 2 336.399 1.548 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000176153932 207196005 /nfs/dbraw/zinc/19/60/05/207196005.db2.gz WSKGTRKGCQEBPQ-MSOLQXFVSA-N 2 2 349.450 1.627 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000176153932 207196010 /nfs/dbraw/zinc/19/60/10/207196010.db2.gz WSKGTRKGCQEBPQ-MSOLQXFVSA-N 2 2 349.450 1.627 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000176153932 207196013 /nfs/dbraw/zinc/19/60/13/207196013.db2.gz WSKGTRKGCQEBPQ-MSOLQXFVSA-N 2 2 349.450 1.627 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000176153932 207196015 /nfs/dbraw/zinc/19/60/15/207196015.db2.gz WSKGTRKGCQEBPQ-MSOLQXFVSA-N 2 2 349.450 1.627 10 0 EDAELP C[N@H+](CCC(=O)NC1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863557 441293959 /nfs/dbraw/zinc/29/39/59/441293959.db2.gz IYWBRAUAKHAHLP-UHFFFAOYSA-N 2 2 347.507 1.728 10 0 EDAELP C[N@@H+](CCC(=O)NC1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863557 441293963 /nfs/dbraw/zinc/29/39/63/441293963.db2.gz IYWBRAUAKHAHLP-UHFFFAOYSA-N 2 2 347.507 1.728 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@H]1C ZINC000117479247 441874310 /nfs/dbraw/zinc/87/43/10/441874310.db2.gz DYJZZZYQZRMJQC-MRXNPFEDSA-N 2 2 349.479 1.554 10 0 EDAELP COCC[N@H+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@H]1C ZINC000117479247 441874314 /nfs/dbraw/zinc/87/43/14/441874314.db2.gz DYJZZZYQZRMJQC-MRXNPFEDSA-N 2 2 349.479 1.554 10 0 EDAELP CC(C)N1CC[C@@H]([N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1=O ZINC000175191907 442013695 /nfs/dbraw/zinc/01/36/95/442013695.db2.gz GXRMCJGLNXEIKB-QGZVFWFLSA-N 2 2 333.480 1.289 10 0 EDAELP CC(C)N1CC[C@@H]([N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1=O ZINC000175191907 442013701 /nfs/dbraw/zinc/01/37/01/442013701.db2.gz GXRMCJGLNXEIKB-QGZVFWFLSA-N 2 2 333.480 1.289 10 0 EDAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000151342383 442045998 /nfs/dbraw/zinc/04/59/98/442045998.db2.gz ZSJNJDQWWNZDIR-ZBFHGGJFSA-N 2 2 340.489 1.588 10 0 EDAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899968 442388510 /nfs/dbraw/zinc/38/85/10/442388510.db2.gz BYAYKDJHKIWQMP-MRXNPFEDSA-N 2 2 329.448 1.671 10 0 EDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC000182752298 442819557 /nfs/dbraw/zinc/81/95/57/442819557.db2.gz NONBFLPHSOESBQ-HXUWFJFHSA-N 2 2 347.503 1.406 10 0 EDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC000182752298 442819561 /nfs/dbraw/zinc/81/95/61/442819561.db2.gz NONBFLPHSOESBQ-HXUWFJFHSA-N 2 2 347.503 1.406 10 0 EDAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246946620 442823468 /nfs/dbraw/zinc/82/34/68/442823468.db2.gz KGLAOXFPTIYRBI-IXDOHACOSA-N 2 2 338.496 1.223 10 0 EDAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246946620 442823474 /nfs/dbraw/zinc/82/34/74/442823474.db2.gz KGLAOXFPTIYRBI-IXDOHACOSA-N 2 2 338.496 1.223 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c[nH+]ccc2N(C)C)nc[nH+]1 ZINC000185189118 443157492 /nfs/dbraw/zinc/15/74/92/443157492.db2.gz HJIBBUUEMACEQB-HNNXBMFYSA-N 3 2 341.463 1.738 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c[nH+]ccc2N(C)C)ncn1 ZINC000185189118 443157496 /nfs/dbraw/zinc/15/74/96/443157496.db2.gz HJIBBUUEMACEQB-HNNXBMFYSA-N 2 2 341.463 1.738 10 0 EDAELP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)cn1 ZINC000583616634 448443424 /nfs/dbraw/zinc/44/34/24/448443424.db2.gz UJDUFLFOCMKJOK-DOTOQJQBSA-N 2 2 343.479 1.449 10 0 EDAELP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)cn1 ZINC000583616634 448443431 /nfs/dbraw/zinc/44/34/31/448443431.db2.gz UJDUFLFOCMKJOK-DOTOQJQBSA-N 2 2 343.479 1.449 10 0 EDAELP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1C[NH3+] ZINC000631839797 450808878 /nfs/dbraw/zinc/80/88/78/450808878.db2.gz KXILQUAROLCXHJ-VHSXEESVSA-N 2 2 327.226 1.309 10 0 EDAELP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1C[NH3+] ZINC000631839797 450808882 /nfs/dbraw/zinc/80/88/82/450808882.db2.gz KXILQUAROLCXHJ-VHSXEESVSA-N 2 2 327.226 1.309 10 0 EDAELP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000898910801 591595976 /nfs/dbraw/zinc/59/59/76/591595976.db2.gz XEOLKEMSSBBLFT-CVEARBPZSA-N 2 2 334.464 1.481 10 0 EDAELP Cn1c[nH+]c([C@@H]2CN(C(=O)c3cc(F)cc4nc[nH]c43)C[C@H]2[NH3+])c1 ZINC000864341496 596858684 /nfs/dbraw/zinc/85/86/84/596858684.db2.gz LBACUSCXNJKANW-VXGBXAGGSA-N 2 2 328.351 1.002 10 0 EDAELP CCn1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000121032218 138316913 /nfs/dbraw/zinc/31/69/13/138316913.db2.gz ARKIQVCMPDRSLU-GOSISDBHSA-N 2 2 335.496 1.130 10 0 EDAELP CCn1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000121032218 138316914 /nfs/dbraw/zinc/31/69/14/138316914.db2.gz ARKIQVCMPDRSLU-GOSISDBHSA-N 2 2 335.496 1.130 10 0 EDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCNS(=O)(=O)CC)C1 ZINC000132677867 138380520 /nfs/dbraw/zinc/38/05/20/138380520.db2.gz IUFGIMFDTJRJBF-AWEZNQCLSA-N 2 2 328.482 1.412 10 0 EDAELP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000131659991 223255449 /nfs/dbraw/zinc/25/54/49/223255449.db2.gz MSGFAKQCEOFWHF-SFHVURJKSA-N 3 2 344.459 1.278 10 0 EDAELP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000131659991 223255454 /nfs/dbraw/zinc/25/54/54/223255454.db2.gz MSGFAKQCEOFWHF-SFHVURJKSA-N 3 2 344.459 1.278 10 0 EDAELP C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000111452886 204358342 /nfs/dbraw/zinc/35/83/42/204358342.db2.gz GKMBKRPBHQNUPD-IAGOWNOFSA-N 2 2 348.491 1.527 10 0 EDAELP C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000111452886 204358345 /nfs/dbraw/zinc/35/83/45/204358345.db2.gz GKMBKRPBHQNUPD-IAGOWNOFSA-N 2 2 348.491 1.527 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000245567131 139079891 /nfs/dbraw/zinc/07/98/91/139079891.db2.gz XLSYQOMYPYVWKW-HOTGVXAUSA-N 2 2 347.463 1.022 10 0 EDAELP COCC[N@H+]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000245567131 139079892 /nfs/dbraw/zinc/07/98/92/139079892.db2.gz XLSYQOMYPYVWKW-HOTGVXAUSA-N 2 2 347.463 1.022 10 0 EDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000174967738 207077715 /nfs/dbraw/zinc/07/77/15/207077715.db2.gz DKHPJHOSIGPPHF-JKSUJKDBSA-N 2 2 325.416 1.966 10 0 EDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000174967738 207077719 /nfs/dbraw/zinc/07/77/19/207077719.db2.gz DKHPJHOSIGPPHF-JKSUJKDBSA-N 2 2 325.416 1.966 10 0 EDAELP C[NH+](C)Cc1nc(C2(NC(=O)[C@@H]3CC34CC[NH2+]CC4)CCCC2)no1 ZINC000137206811 289226790 /nfs/dbraw/zinc/22/67/90/289226790.db2.gz VWMCFZOMUHQDIO-ZDUSSCGKSA-N 2 2 347.463 1.406 10 0 EDAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000246450571 289357792 /nfs/dbraw/zinc/35/77/92/289357792.db2.gz OTQFPYJXZQYEES-JKSUJKDBSA-N 2 2 326.485 1.127 10 0 EDAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000246450571 289357796 /nfs/dbraw/zinc/35/77/96/289357796.db2.gz OTQFPYJXZQYEES-JKSUJKDBSA-N 2 2 326.485 1.127 10 0 EDAELP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000104782889 441208320 /nfs/dbraw/zinc/20/83/20/441208320.db2.gz STGVAIZTAOSFEX-IRXDYDNUSA-N 2 2 340.512 1.373 10 0 EDAELP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000104782889 441208323 /nfs/dbraw/zinc/20/83/23/441208323.db2.gz STGVAIZTAOSFEX-IRXDYDNUSA-N 2 2 340.512 1.373 10 0 EDAELP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000113447372 441610001 /nfs/dbraw/zinc/61/00/01/441610001.db2.gz TXPJLKMGSUZDAA-MJGOQNOKSA-N 2 2 346.519 1.159 10 0 EDAELP CCC[C@@H](C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)[NH+](C)C ZINC000122711333 441859991 /nfs/dbraw/zinc/85/99/91/441859991.db2.gz LQVGXLVCDUSPFM-KGLIPLIRSA-N 2 2 334.468 1.334 10 0 EDAELP CCC[C@@H](C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)[NH+](C)C ZINC000122711333 441859994 /nfs/dbraw/zinc/85/99/94/441859994.db2.gz LQVGXLVCDUSPFM-KGLIPLIRSA-N 2 2 334.468 1.334 10 0 EDAELP CC[C@@H](C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1)[NH+](C)C ZINC000123701403 441896699 /nfs/dbraw/zinc/89/66/99/441896699.db2.gz SWVAYYLBHAVMMW-GJZGRUSLSA-N 2 2 339.505 1.886 10 0 EDAELP CC[NH+](CC)CC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176584559 442237707 /nfs/dbraw/zinc/23/77/07/442237707.db2.gz CQAXDLSVLJUPEJ-CABCVRRESA-N 2 2 339.505 1.968 10 0 EDAELP CC[NH+](CC)CC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176584559 442237710 /nfs/dbraw/zinc/23/77/10/442237710.db2.gz CQAXDLSVLJUPEJ-CABCVRRESA-N 2 2 339.505 1.968 10 0 EDAELP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)s1 ZINC000178882913 442513311 /nfs/dbraw/zinc/51/33/11/442513311.db2.gz ROBZGPKSEIROHJ-MRXNPFEDSA-N 2 2 330.457 1.796 10 0 EDAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000246535149 442791019 /nfs/dbraw/zinc/79/10/19/442791019.db2.gz VZOBMVZOXQCBBB-PMPSAXMXSA-N 2 2 326.485 1.079 10 0 EDAELP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000246535149 442791021 /nfs/dbraw/zinc/79/10/21/442791021.db2.gz VZOBMVZOXQCBBB-PMPSAXMXSA-N 2 2 326.485 1.079 10 0 EDAELP CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000182354231 442759598 /nfs/dbraw/zinc/75/95/98/442759598.db2.gz KYMSODIUTPYYTG-INIZCTEOSA-N 2 2 333.480 1.688 10 0 EDAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000194180104 442858350 /nfs/dbraw/zinc/85/83/50/442858350.db2.gz XNSUNDFKBDBUCP-KRWDZBQOSA-N 2 2 331.464 1.393 10 0 EDAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000194180104 442858355 /nfs/dbraw/zinc/85/83/55/442858355.db2.gz XNSUNDFKBDBUCP-KRWDZBQOSA-N 2 2 331.464 1.393 10 0 EDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000184237418 443004893 /nfs/dbraw/zinc/00/48/93/443004893.db2.gz TWJAESCUWKPMPH-LJQANCHMSA-N 2 2 345.487 1.662 10 0 EDAELP 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335.448 1.644 10 0 EDAELP COC(=O)C1=C(O)CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000070460859 203078385 /nfs/dbraw/zinc/07/83/85/203078385.db2.gz SETYAEJVOGLLTR-KRWDZBQOSA-N 2 2 330.428 1.715 10 0 EDAELP COC(=O)C1=C(O)CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000070460859 203078387 /nfs/dbraw/zinc/07/83/87/203078387.db2.gz SETYAEJVOGLLTR-KRWDZBQOSA-N 2 2 330.428 1.715 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)NCC(C)C)nc[nH+]1 ZINC000105797690 204161263 /nfs/dbraw/zinc/16/12/63/204161263.db2.gz FAEHQFNAYWLZHZ-ZIAGYGMSSA-N 2 2 334.468 1.237 10 0 EDAELP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246514226 139111530 /nfs/dbraw/zinc/11/15/30/139111530.db2.gz UYYANTWTOBFJCB-HOTGVXAUSA-N 2 2 326.485 1.271 10 0 EDAELP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246514226 139111531 /nfs/dbraw/zinc/11/15/31/139111531.db2.gz UYYANTWTOBFJCB-HOTGVXAUSA-N 2 2 326.485 1.271 10 0 EDAELP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246514226 139111532 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333.476 1.858 10 0 EDAELP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261705215 139219188 /nfs/dbraw/zinc/21/91/88/139219188.db2.gz IIAKGBNMQDOKCC-MRXNPFEDSA-N 2 2 333.476 1.858 10 0 EDAELP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261796193 139226777 /nfs/dbraw/zinc/22/67/77/139226777.db2.gz VJEVRCYFYXGJEH-IUODEOHRSA-N 2 2 332.448 1.432 10 0 EDAELP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261796193 139226778 /nfs/dbraw/zinc/22/67/78/139226778.db2.gz VJEVRCYFYXGJEH-IUODEOHRSA-N 2 2 332.448 1.432 10 0 EDAELP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000184293408 533584677 /nfs/dbraw/zinc/58/46/77/533584677.db2.gz RAAHRHUFPWITAY-PKOBYXMFSA-N 2 2 346.519 1.302 10 0 EDAELP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000184293408 533584688 /nfs/dbraw/zinc/58/46/88/533584688.db2.gz RAAHRHUFPWITAY-PKOBYXMFSA-N 2 2 346.519 1.302 10 0 EDAELP CCC(CC)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797767 441272525 /nfs/dbraw/zinc/27/25/25/441272525.db2.gz KGDDTCVJEUWBSH-DZGCQCFKSA-N 2 2 348.495 1.770 10 0 EDAELP CCC(CC)[C@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)[NH+]1CCOCC1 ZINC000173562204 441792423 /nfs/dbraw/zinc/79/24/23/441792423.db2.gz ZDSVMKYHULDLSL-DLBZAZTESA-N 2 2 325.497 1.724 10 0 EDAELP CCC(CC)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)[NH+]1CCOCC1 ZINC000173562204 441792428 /nfs/dbraw/zinc/79/24/28/441792428.db2.gz ZDSVMKYHULDLSL-DLBZAZTESA-N 2 2 325.497 1.724 10 0 EDAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173900120 441859568 /nfs/dbraw/zinc/85/95/68/441859568.db2.gz GDJUMMOCMYBQBA-ZACQAIPSSA-N 2 2 338.496 1.223 10 0 EDAELP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173900120 441859572 /nfs/dbraw/zinc/85/95/72/441859572.db2.gz GDJUMMOCMYBQBA-ZACQAIPSSA-N 2 2 338.496 1.223 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1C ZINC000117289365 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1.349 10 0 EDAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000121163710 442185432 /nfs/dbraw/zinc/18/54/32/442185432.db2.gz WHZXVCMOIYJWCN-MSOLQXFVSA-N 2 2 331.460 1.349 10 0 EDAELP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000176544819 442232357 /nfs/dbraw/zinc/23/23/57/442232357.db2.gz MBLQLIFORGKOGF-OAHLLOKOSA-N 2 2 339.505 1.920 10 0 EDAELP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000176544819 442232360 /nfs/dbraw/zinc/23/23/60/442232360.db2.gz MBLQLIFORGKOGF-OAHLLOKOSA-N 2 2 339.505 1.920 10 0 EDAELP CCn1cnnc1C1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000171644232 442366346 /nfs/dbraw/zinc/36/63/46/442366346.db2.gz LVUHKALNYBZQKY-OAHLLOKOSA-N 2 2 348.495 1.030 10 0 EDAELP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000171705107 442372432 /nfs/dbraw/zinc/37/24/32/442372432.db2.gz ZBADWMJZLSASSY-CQSZACIVSA-N 2 2 336.436 1.179 10 0 EDAELP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000171705107 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NFZYVYGRWDUIJN-KBAYOESNSA-N 2 2 339.524 1.968 10 0 EDAELP CC[C@@H]1CN(CCC[NH+]2CCN(C(C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000249115594 442952719 /nfs/dbraw/zinc/95/27/19/442952719.db2.gz YMICUCZYGIUZTG-RBUKOAKNSA-N 2 2 340.556 1.180 10 0 EDAELP CC[C@@H]1CN(CCC[NH+]2CCN(C(C)C)CC2)CC[N@H+]1C[C@H](C)O ZINC000249115594 442952721 /nfs/dbraw/zinc/95/27/21/442952721.db2.gz YMICUCZYGIUZTG-RBUKOAKNSA-N 2 2 340.556 1.180 10 0 EDAELP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000249878256 443008744 /nfs/dbraw/zinc/00/87/44/443008744.db2.gz MLNMIURAZVYELJ-IXDOHACOSA-N 2 2 335.448 1.372 10 0 EDAELP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000249878256 443008750 /nfs/dbraw/zinc/00/87/50/443008750.db2.gz MLNMIURAZVYELJ-IXDOHACOSA-N 2 2 335.448 1.372 10 0 EDAELP COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915220 443027718 /nfs/dbraw/zinc/02/77/18/443027718.db2.gz GCLQJKPBNSGLEE-QWHCGFSZSA-N 2 2 330.388 1.201 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000195260162 443002552 /nfs/dbraw/zinc/00/25/52/443002552.db2.gz ZGQPDLLRGVQJQU-CQSZACIVSA-N 2 2 336.505 1.826 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000195260162 443002554 /nfs/dbraw/zinc/00/25/54/443002554.db2.gz ZGQPDLLRGVQJQU-CQSZACIVSA-N 2 2 336.505 1.826 10 0 EDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC000195260162 443002556 /nfs/dbraw/zinc/00/25/56/443002556.db2.gz ZGQPDLLRGVQJQU-CQSZACIVSA-N 2 2 336.505 1.826 10 0 EDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC000195260162 443002558 /nfs/dbraw/zinc/00/25/58/443002558.db2.gz ZGQPDLLRGVQJQU-CQSZACIVSA-N 2 2 336.505 1.826 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)nc[nH+]1 ZINC000245729878 443245945 /nfs/dbraw/zinc/24/59/45/443245945.db2.gz JHJGZGJNFFNRMO-SQWLQELKSA-N 2 2 330.480 1.702 10 0 EDAELP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173981088 534427136 /nfs/dbraw/zinc/42/71/36/534427136.db2.gz PDXFPTKMACXVKD-QAPCUYQASA-N 2 2 331.460 1.541 10 0 EDAELP CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cnnn2C2CC[NH2+]CC2)C1 ZINC000725265940 539400726 /nfs/dbraw/zinc/40/07/26/539400726.db2.gz AMOFHCSGUIISII-CYBMUJFWSA-N 2 2 336.440 1.084 10 0 EDAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cnc(N3CCOCC3)s2)c[nH+]1 ZINC000188406592 540158891 /nfs/dbraw/zinc/15/88/91/540158891.db2.gz GREGXUWSJMGQML-AWEZNQCLSA-N 2 2 333.461 1.841 10 0 EDAELP C[C@H]1C[N@@H+]([C@H](CNC(=O)NCC[NH+](C)C)c2cccs2)CCO1 ZINC000245723685 139084447 /nfs/dbraw/zinc/08/44/47/139084447.db2.gz ROQDPCFTGIWXGT-UONOGXRCSA-N 2 2 340.493 1.371 10 0 EDAELP C[C@H]1C[N@H+]([C@H](CNC(=O)NCC[NH+](C)C)c2cccs2)CCO1 ZINC000245723685 139084448 /nfs/dbraw/zinc/08/44/48/139084448.db2.gz ROQDPCFTGIWXGT-UONOGXRCSA-N 2 2 340.493 1.371 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000246491492 139110585 /nfs/dbraw/zinc/11/05/85/139110585.db2.gz SIFUFHYTSHOMDT-ZWKOTPCHSA-N 2 2 346.475 1.453 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000246491492 139110586 /nfs/dbraw/zinc/11/05/86/139110586.db2.gz SIFUFHYTSHOMDT-ZWKOTPCHSA-N 2 2 346.475 1.453 10 0 EDAELP C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000247200579 139140364 /nfs/dbraw/zinc/14/03/64/139140364.db2.gz UEYOCXBVPMTFNM-NEWSRXKRSA-N 2 2 345.487 1.338 10 0 EDAELP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)c1 ZINC000261847057 139231151 /nfs/dbraw/zinc/23/11/51/139231151.db2.gz RCMBMVOOUOHLJC-QGTPRVQTSA-N 2 2 347.459 1.407 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000261904608 139235562 /nfs/dbraw/zinc/23/55/62/139235562.db2.gz WWWGEJOSYQWTCT-FUHWJXTLSA-N 2 2 344.503 1.688 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000261904608 139235563 /nfs/dbraw/zinc/23/55/63/139235563.db2.gz WWWGEJOSYQWTCT-FUHWJXTLSA-N 2 2 344.503 1.688 10 0 EDAELP CC(C)[C@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863181 441294154 /nfs/dbraw/zinc/29/41/54/441294154.db2.gz RFJLYDLORXMOFJ-INIZCTEOSA-N 2 2 335.496 1.440 10 0 EDAELP CC(C)[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863181 441294157 /nfs/dbraw/zinc/29/41/57/441294157.db2.gz RFJLYDLORXMOFJ-INIZCTEOSA-N 2 2 335.496 1.440 10 0 EDAELP C[NH+](C)C[C@H]1C[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000113503941 441611618 /nfs/dbraw/zinc/61/16/18/441611618.db2.gz JDRTULJMJBVGRE-INIZCTEOSA-N 2 2 341.496 1.896 10 0 EDAELP C[NH+](C)C[C@H]1C[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000113503941 441611620 /nfs/dbraw/zinc/61/16/20/441611620.db2.gz JDRTULJMJBVGRE-INIZCTEOSA-N 2 2 341.496 1.896 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)NCCCNc2cccc[nH+]2)C[C@H]1C ZINC000117479788 441874614 /nfs/dbraw/zinc/87/46/14/441874614.db2.gz KSJVEWQDVIDSGF-OAHLLOKOSA-N 2 2 335.452 1.246 10 0 EDAELP COCC[N@H+]1CCN(C(=O)NCCCNc2cccc[nH+]2)C[C@H]1C ZINC000117479788 441874619 /nfs/dbraw/zinc/87/46/19/441874619.db2.gz KSJVEWQDVIDSGF-OAHLLOKOSA-N 2 2 335.452 1.246 10 0 EDAELP C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000150720914 441936218 /nfs/dbraw/zinc/93/62/18/441936218.db2.gz XCRAOBRPDIPLTM-WMZOPIPTSA-N 2 2 333.476 1.244 10 0 EDAELP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000161716507 442026501 /nfs/dbraw/zinc/02/65/01/442026501.db2.gz ANMXPQRQBJYDTC-MRXNPFEDSA-N 2 2 326.485 1.080 10 0 EDAELP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000161716507 442026504 /nfs/dbraw/zinc/02/65/04/442026504.db2.gz ANMXPQRQBJYDTC-MRXNPFEDSA-N 2 2 326.485 1.080 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000151854311 442130087 /nfs/dbraw/zinc/13/00/87/442130087.db2.gz KKUQYEUIMGLWQN-MRXNPFEDSA-N 2 2 349.479 1.514 10 0 EDAELP CC(C)[N@H+](C)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCO[C@H](C)C1 ZINC000176605426 442239156 /nfs/dbraw/zinc/23/91/56/442239156.db2.gz RMNBSXQQLCWHRS-CABCVRRESA-N 2 2 339.505 1.966 10 0 EDAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCO[C@H](C)C1 ZINC000176605426 442239157 /nfs/dbraw/zinc/23/91/57/442239157.db2.gz RMNBSXQQLCWHRS-CABCVRRESA-N 2 2 339.505 1.966 10 0 EDAELP CC(C)[NH+](C)CC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176605426 442239158 /nfs/dbraw/zinc/23/91/58/442239158.db2.gz RMNBSXQQLCWHRS-CABCVRRESA-N 2 2 339.505 1.966 10 0 EDAELP CC(C)[NH+](C)CC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176605426 442239159 /nfs/dbraw/zinc/23/91/59/442239159.db2.gz RMNBSXQQLCWHRS-CABCVRRESA-N 2 2 339.505 1.966 10 0 EDAELP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000170924905 442290155 /nfs/dbraw/zinc/29/01/55/442290155.db2.gz CZYNIJSTVUKBDE-SFHVURJKSA-N 2 2 346.475 1.153 10 0 EDAELP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000170924905 442290156 /nfs/dbraw/zinc/29/01/56/442290156.db2.gz CZYNIJSTVUKBDE-SFHVURJKSA-N 2 2 346.475 1.153 10 0 EDAELP CC[NH+](CC)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173263576 442635274 /nfs/dbraw/zinc/63/52/74/442635274.db2.gz YSPHFYKZQOGISH-CQSZACIVSA-N 2 2 349.483 1.128 10 0 EDAELP CC[NH+](CC)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173263576 442635278 /nfs/dbraw/zinc/63/52/78/442635278.db2.gz YSPHFYKZQOGISH-CQSZACIVSA-N 2 2 349.483 1.128 10 0 EDAELP CCC[C@@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)[NH+](C)C ZINC000136076803 442649262 /nfs/dbraw/zinc/64/92/62/442649262.db2.gz TVRMFABCKWZETC-ZBFHGGJFSA-N 2 2 334.464 1.653 10 0 EDAELP CC[C@H](C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000246889459 442819663 /nfs/dbraw/zinc/81/96/63/442819663.db2.gz DPOFRESJDJRYSV-ZNMIVQPWSA-N 2 2 339.505 1.966 10 0 EDAELP CC[C@H](C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000246889459 442819667 /nfs/dbraw/zinc/81/96/67/442819667.db2.gz DPOFRESJDJRYSV-ZNMIVQPWSA-N 2 2 339.505 1.966 10 0 EDAELP CO[C@@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)[C@](C)(C[NH3+])C1 ZINC000630358440 451131812 /nfs/dbraw/zinc/13/18/12/451131812.db2.gz AUKMAXPDCKEWGT-UGSOOPFHSA-N 2 2 331.416 1.111 10 0 EDAELP CO[C@@H]1C[N@@H+](CCCN2C(=O)c3ccccc3C2=O)[C@](C)(C[NH3+])C1 ZINC000630358440 451131815 /nfs/dbraw/zinc/13/18/15/451131815.db2.gz AUKMAXPDCKEWGT-UGSOOPFHSA-N 2 2 331.416 1.111 10 0 EDAELP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4cc[nH]n4)CC3)cn2)CC1 ZINC000092810891 536425730 /nfs/dbraw/zinc/42/57/30/536425730.db2.gz BZSUUOVZIREUTI-UHFFFAOYSA-N 2 2 341.463 1.331 10 0 EDAELP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4ccn[nH]4)CC3)cn2)CC1 ZINC000092810891 536425733 /nfs/dbraw/zinc/42/57/33/536425733.db2.gz BZSUUOVZIREUTI-UHFFFAOYSA-N 2 2 341.463 1.331 10 0 EDAELP O=C(c1cn[nH]c1[C@H]1CCCC[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000864785344 596353039 /nfs/dbraw/zinc/35/30/39/596353039.db2.gz CTUBEBVXWDMTDX-OAHLLOKOSA-N 2 2 328.420 1.898 10 0 EDAELP O=C(c1c[nH]nc1[C@H]1CCCC[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000864785344 596353045 /nfs/dbraw/zinc/35/30/45/596353045.db2.gz CTUBEBVXWDMTDX-OAHLLOKOSA-N 2 2 328.420 1.898 10 0 EDAELP C[C@H](C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1)C1C[NH2+]C1 ZINC000262333822 139270983 /nfs/dbraw/zinc/27/09/83/139270983.db2.gz HASYDBIAPLYFNS-ZDUSSCGKSA-N 2 2 349.479 1.652 10 0 EDAELP C[C@@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000262692928 139296735 /nfs/dbraw/zinc/29/67/35/139296735.db2.gz ALYOQAJMXJXQQR-INMHGKMJSA-N 2 2 342.447 1.727 10 0 EDAELP CCC(CC)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797762 441272022 /nfs/dbraw/zinc/27/20/22/441272022.db2.gz KGDDTCVJEUWBSH-ZFWWWQNUSA-N 2 2 348.495 1.770 10 0 EDAELP C[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCOCC1 ZINC000116418334 441820856 /nfs/dbraw/zinc/82/08/56/441820856.db2.gz LYKGLRGJMRTTNC-GJZGRUSLSA-N 2 2 328.501 1.373 10 0 EDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000122438801 441849594 /nfs/dbraw/zinc/84/95/94/441849594.db2.gz OFTVOLJQOOESAH-JKSUJKDBSA-N 2 2 333.480 1.936 10 0 EDAELP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000079689749 442077965 /nfs/dbraw/zinc/07/79/65/442077965.db2.gz RNHSGAWPVZKKEW-HOTGVXAUSA-N 2 2 326.485 1.128 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000176073365 442171166 /nfs/dbraw/zinc/17/11/66/442171166.db2.gz ZHQWJDBDSQPBKQ-INIZCTEOSA-N 2 2 349.479 1.476 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000176073365 442171170 /nfs/dbraw/zinc/17/11/70/442171170.db2.gz ZHQWJDBDSQPBKQ-INIZCTEOSA-N 2 2 349.479 1.476 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ncccn3)C2)[nH+]1 ZINC000170836391 442272330 /nfs/dbraw/zinc/27/23/30/442272330.db2.gz VEXVTGVFGUXIMV-GJZGRUSLSA-N 2 2 340.431 1.941 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ncccn3)C2)[nH+]1 ZINC000170836391 442272333 /nfs/dbraw/zinc/27/23/33/442272333.db2.gz VEXVTGVFGUXIMV-GJZGRUSLSA-N 2 2 340.431 1.941 10 0 EDAELP COc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000155102563 442375229 /nfs/dbraw/zinc/37/52/29/442375229.db2.gz NZWUAXGCGBPRQD-FQEVSTJZSA-N 2 2 347.503 1.922 10 0 EDAELP COc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000155102563 442375230 /nfs/dbraw/zinc/37/52/30/442375230.db2.gz NZWUAXGCGBPRQD-FQEVSTJZSA-N 2 2 347.503 1.922 10 0 EDAELP COC(=O)CCCc1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)no1 ZINC000178290558 442422078 /nfs/dbraw/zinc/42/20/78/442422078.db2.gz CPYSINGFXKHDOB-CQSZACIVSA-N 2 2 347.419 1.735 10 0 EDAELP COC(=O)CCCc1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)no1 ZINC000178290558 442422079 /nfs/dbraw/zinc/42/20/79/442422079.db2.gz CPYSINGFXKHDOB-CQSZACIVSA-N 2 2 347.419 1.735 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000178754421 442475561 /nfs/dbraw/zinc/47/55/61/442475561.db2.gz AXPHRKRJPFTHTO-AWEZNQCLSA-N 2 2 329.429 1.926 10 0 EDAELP C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189883003 443023243 /nfs/dbraw/zinc/02/32/43/443023243.db2.gz DIVIKGBCKNIVRW-CRAIPNDOSA-N 2 2 330.432 1.216 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCC(=O)OC(C)(C)C ZINC000181956429 534778198 /nfs/dbraw/zinc/77/81/98/534778198.db2.gz XOVNTEZGTSHUFV-AWEZNQCLSA-N 2 2 336.436 1.114 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCC(=O)OC(C)(C)C ZINC000181956429 534778208 /nfs/dbraw/zinc/77/82/08/534778208.db2.gz XOVNTEZGTSHUFV-AWEZNQCLSA-N 2 2 336.436 1.114 10 0 EDAELP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000236905171 535849905 /nfs/dbraw/zinc/84/99/05/535849905.db2.gz RAMIXWXEXIEBHJ-XJKSGUPXSA-N 2 2 332.448 1.386 10 0 EDAELP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H]3C[NH2+]C[C@@H](C)O3)n2)cn1 ZINC000854139549 595987018 /nfs/dbraw/zinc/98/70/18/595987018.db2.gz FCMWFODGTIRTIL-ZWNOBZJWSA-N 2 2 326.360 1.675 10 0 EDAELP C[NH+](C)CCC[NH2+]Cc1cc(Br)ccc1OCC(N)=O ZINC000020873086 202056824 /nfs/dbraw/zinc/05/68/24/202056824.db2.gz QAKGESMBSWMECM-UHFFFAOYSA-N 2 2 344.253 1.355 10 0 EDAELP C[N@H+](C[C@H](O)COC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915871 138302624 /nfs/dbraw/zinc/30/26/24/138302624.db2.gz DMADTMOQWXRLJJ-KRWDZBQOSA-N 2 2 338.496 1.455 10 0 EDAELP C[N@@H+](C[C@H](O)COC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915871 138302625 /nfs/dbraw/zinc/30/26/25/138302625.db2.gz DMADTMOQWXRLJJ-KRWDZBQOSA-N 2 2 338.496 1.455 10 0 EDAELP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000070182857 202317720 /nfs/dbraw/zinc/31/77/20/202317720.db2.gz KKLRJSXMERBQKO-WDEREUQCSA-N 2 2 341.253 1.842 10 0 EDAELP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000070182857 202317723 /nfs/dbraw/zinc/31/77/23/202317723.db2.gz KKLRJSXMERBQKO-WDEREUQCSA-N 2 2 341.253 1.842 10 0 EDAELP Cn1cc([C@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000131912068 223282893 /nfs/dbraw/zinc/28/28/93/223282893.db2.gz FFNIJFGDSIZJAJ-QGZVFWFLSA-N 2 2 341.463 1.299 10 0 EDAELP Cn1cc([C@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000131912068 223282895 /nfs/dbraw/zinc/28/28/95/223282895.db2.gz FFNIJFGDSIZJAJ-QGZVFWFLSA-N 2 2 341.463 1.299 10 0 EDAELP C[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@H]1[NH+]1CCOCC1 ZINC000246401857 139107052 /nfs/dbraw/zinc/10/70/52/139107052.db2.gz DKJKHUMBBIVBCY-BRWVUGGUSA-N 2 2 345.491 1.870 10 0 EDAELP Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000262348514 139272157 /nfs/dbraw/zinc/27/21/57/139272157.db2.gz HADPTRBMMVGERJ-UHFFFAOYSA-N 2 2 325.376 1.182 10 0 EDAELP C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000073652509 287262647 /nfs/dbraw/zinc/26/26/47/287262647.db2.gz LUWOLMRCJBPAOG-JKSUJKDBSA-N 2 2 326.485 1.223 10 0 EDAELP C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000073652509 287262650 /nfs/dbraw/zinc/26/26/50/287262650.db2.gz LUWOLMRCJBPAOG-JKSUJKDBSA-N 2 2 326.485 1.223 10 0 EDAELP C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000078541241 287294378 /nfs/dbraw/zinc/29/43/78/287294378.db2.gz GRSJRMOMSOHTPQ-SJLPKXTDSA-N 2 2 348.491 1.179 10 0 EDAELP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000113512280 441612922 /nfs/dbraw/zinc/61/29/22/441612922.db2.gz MVIBMGAYNNLVFU-INIZCTEOSA-N 2 2 330.476 1.049 10 0 EDAELP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000113512280 441612927 /nfs/dbraw/zinc/61/29/27/441612927.db2.gz MVIBMGAYNNLVFU-INIZCTEOSA-N 2 2 330.476 1.049 10 0 EDAELP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000117038735 441863060 /nfs/dbraw/zinc/86/30/60/441863060.db2.gz CGFGVBIWSKHTMX-MRXNPFEDSA-N 2 2 343.431 1.344 10 0 EDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000122438412 441849961 /nfs/dbraw/zinc/84/99/61/441849961.db2.gz OFTVOLJQOOESAH-HZPDHXFCSA-N 2 2 333.480 1.936 10 0 EDAELP Cc1ccc(N2CCC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)[nH+]c1 ZINC000161889771 442040442 /nfs/dbraw/zinc/04/04/42/442040442.db2.gz HKDCJIXPMCVPDN-HNNXBMFYSA-N 2 2 339.443 1.934 10 0 EDAELP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1CCOCC1 ZINC000175602987 442091882 /nfs/dbraw/zinc/09/18/82/442091882.db2.gz OIHWCWGQSFOJKL-HNNXBMFYSA-N 2 2 338.496 1.413 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000175501717 442076749 /nfs/dbraw/zinc/07/67/49/442076749.db2.gz SFHFLAFDRJRKSS-MRXNPFEDSA-N 2 2 335.452 1.088 10 0 EDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000175813437 442128138 /nfs/dbraw/zinc/12/81/38/442128138.db2.gz WXZFTYCMKDQULL-HOTGVXAUSA-N 2 2 349.479 1.401 10 0 EDAELP CCCn1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000121047261 442170045 /nfs/dbraw/zinc/17/00/45/442170045.db2.gz CNMVMBMCNJOGAG-LJQANCHMSA-N 2 2 349.523 1.520 10 0 EDAELP CCCn1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000121047261 442170048 /nfs/dbraw/zinc/17/00/48/442170048.db2.gz CNMVMBMCNJOGAG-LJQANCHMSA-N 2 2 349.523 1.520 10 0 EDAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(C3CC3)n2C)[C@H](C)C1 ZINC000187023012 442646286 /nfs/dbraw/zinc/64/62/86/442646286.db2.gz CZMLDRLWSWUMJX-ZBFHGGJFSA-N 2 2 335.496 1.919 10 0 EDAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc(C3CC3)n2C)[C@H](C)C1 ZINC000187023012 442646290 /nfs/dbraw/zinc/64/62/90/442646290.db2.gz CZMLDRLWSWUMJX-ZBFHGGJFSA-N 2 2 335.496 1.919 10 0 EDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000194178355 442857207 /nfs/dbraw/zinc/85/72/07/442857207.db2.gz BUBSEWMRIKZEID-QGZVFWFLSA-N 2 2 331.464 1.393 10 0 EDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000194178355 442857210 /nfs/dbraw/zinc/85/72/10/442857210.db2.gz BUBSEWMRIKZEID-QGZVFWFLSA-N 2 2 331.464 1.393 10 0 EDAELP CS(=O)(=O)CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328605771 444390745 /nfs/dbraw/zinc/39/07/45/444390745.db2.gz PBMHTKPDDFOWRA-AWEZNQCLSA-N 2 2 328.503 1.737 10 0 EDAELP CS(=O)(=O)CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328605771 444390749 /nfs/dbraw/zinc/39/07/49/444390749.db2.gz PBMHTKPDDFOWRA-AWEZNQCLSA-N 2 2 328.503 1.737 10 0 EDAELP O[C@@H](COCc1ccccc1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625549511 450421818 /nfs/dbraw/zinc/42/18/18/450421818.db2.gz OAIUYZZQSKWFSA-LJQANCHMSA-N 2 2 334.460 1.361 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000247017446 535601364 /nfs/dbraw/zinc/60/13/64/535601364.db2.gz HKYJFCZRMBTANG-WMZOPIPTSA-N 2 2 333.476 1.859 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000247017446 535601367 /nfs/dbraw/zinc/60/13/67/535601367.db2.gz HKYJFCZRMBTANG-WMZOPIPTSA-N 2 2 333.476 1.859 10 0 EDAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398987661 578318484 /nfs/dbraw/zinc/31/84/84/578318484.db2.gz IWIVATSWQCNRFC-FXAWDEMLSA-N 3 2 331.504 1.943 10 0 EDAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398987661 578318485 /nfs/dbraw/zinc/31/84/85/578318485.db2.gz IWIVATSWQCNRFC-FXAWDEMLSA-N 3 2 331.504 1.943 10 0 EDAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000070182858 202317658 /nfs/dbraw/zinc/31/76/58/202317658.db2.gz KKLRJSXMERBQKO-MNOVXSKESA-N 2 2 341.253 1.842 10 0 EDAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000070182858 202317662 /nfs/dbraw/zinc/31/76/62/202317662.db2.gz KKLRJSXMERBQKO-MNOVXSKESA-N 2 2 341.253 1.842 10 0 EDAELP COCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)n1 ZINC000023153623 212356450 /nfs/dbraw/zinc/35/64/50/212356450.db2.gz YROHAWPBSICHGA-UHFFFAOYSA-N 2 2 328.416 1.379 10 0 EDAELP COCc1cc(=O)[nH]c(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)n1 ZINC000023153623 212356452 /nfs/dbraw/zinc/35/64/52/212356452.db2.gz YROHAWPBSICHGA-UHFFFAOYSA-N 2 2 328.416 1.379 10 0 EDAELP CC[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000247080802 139134645 /nfs/dbraw/zinc/13/46/45/139134645.db2.gz HBKOTPOMRCYCEK-MELADBBJSA-N 2 2 334.468 1.380 10 0 EDAELP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261639450 139213475 /nfs/dbraw/zinc/21/34/75/139213475.db2.gz GFTZHBBUMJCPBO-QGZVFWFLSA-N 2 2 349.475 1.422 10 0 EDAELP COc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261639450 139213476 /nfs/dbraw/zinc/21/34/76/139213476.db2.gz GFTZHBBUMJCPBO-QGZVFWFLSA-N 2 2 349.475 1.422 10 0 EDAELP C1C[C@@H]2CO[C@H](c3noc([C@@H]4CCC[NH+]4C4CCOCC4)n3)C[N@@H+]2C1 ZINC000333504791 141327996 /nfs/dbraw/zinc/32/79/96/141327996.db2.gz WOWRKNQNWDOMMV-PMPSAXMXSA-N 2 2 348.447 1.921 10 0 EDAELP C1C[C@@H]2CO[C@H](c3noc([C@@H]4CCC[NH+]4C4CCOCC4)n3)C[N@H+]2C1 ZINC000333504791 141327997 /nfs/dbraw/zinc/32/79/97/141327997.db2.gz WOWRKNQNWDOMMV-PMPSAXMXSA-N 2 2 348.447 1.921 10 0 EDAELP C1C[C@@H]2CO[C@H](c3noc([C@@H]4CCC[N@@H+]4C4CCOCC4)n3)C[NH+]2C1 ZINC000333504791 141327999 /nfs/dbraw/zinc/32/79/99/141327999.db2.gz WOWRKNQNWDOMMV-PMPSAXMXSA-N 2 2 348.447 1.921 10 0 EDAELP C1C[C@@H]2CO[C@H](c3noc([C@@H]4CCC[N@H+]4C4CCOCC4)n3)C[NH+]2C1 ZINC000333504791 141328000 /nfs/dbraw/zinc/32/80/00/141328000.db2.gz WOWRKNQNWDOMMV-PMPSAXMXSA-N 2 2 348.447 1.921 10 0 EDAELP COCCC[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000066378332 287243503 /nfs/dbraw/zinc/24/35/03/287243503.db2.gz KFDPNEAADKJCFG-UHFFFAOYSA-N 2 2 326.466 1.646 10 0 EDAELP COCCC[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000066378332 287243504 /nfs/dbraw/zinc/24/35/04/287243504.db2.gz KFDPNEAADKJCFG-UHFFFAOYSA-N 2 2 326.466 1.646 10 0 EDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173854382 279125461 /nfs/dbraw/zinc/12/54/61/279125461.db2.gz RXOLCLHUWRCFPD-HZPDHXFCSA-N 2 2 326.485 1.079 10 0 EDAELP C[C@@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000136812252 441726045 /nfs/dbraw/zinc/72/60/45/441726045.db2.gz RASSPJKMSZEKHM-INIZCTEOSA-N 2 2 338.496 1.367 10 0 EDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000120778196 442131333 /nfs/dbraw/zinc/13/13/33/442131333.db2.gz CINRRSBDXZCPAN-OALUTQOASA-N 3 2 338.540 1.198 10 0 EDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000120778196 442131335 /nfs/dbraw/zinc/13/13/35/442131335.db2.gz CINRRSBDXZCPAN-OALUTQOASA-N 3 2 338.540 1.198 10 0 EDAELP CC(C)[NH+]1CCO[C@@H](CN2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000120778196 442131337 /nfs/dbraw/zinc/13/13/37/442131337.db2.gz CINRRSBDXZCPAN-OALUTQOASA-N 3 2 338.540 1.198 10 0 EDAELP CC(C)[NH+]1CCO[C@@H](CN2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000120778196 442131341 /nfs/dbraw/zinc/13/13/41/442131341.db2.gz CINRRSBDXZCPAN-OALUTQOASA-N 3 2 338.540 1.198 10 0 EDAELP COCC[N@H+](C)CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176440328 442222904 /nfs/dbraw/zinc/22/29/04/442222904.db2.gz IRRWRYAPQWVHSX-HNNXBMFYSA-N 2 2 345.447 1.811 10 0 EDAELP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176440328 442222907 /nfs/dbraw/zinc/22/29/07/442222907.db2.gz IRRWRYAPQWVHSX-HNNXBMFYSA-N 2 2 345.447 1.811 10 0 EDAELP Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000170619183 442237445 /nfs/dbraw/zinc/23/74/45/442237445.db2.gz GYYGDRPTXNHPAT-OAHLLOKOSA-N 2 2 340.493 1.100 10 0 EDAELP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000179103138 442573104 /nfs/dbraw/zinc/57/31/04/442573104.db2.gz XGBDYLMTWLDMPB-BPQIPLTHSA-N 2 2 346.475 1.452 10 0 EDAELP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000179103138 442573109 /nfs/dbraw/zinc/57/31/09/442573109.db2.gz XGBDYLMTWLDMPB-BPQIPLTHSA-N 2 2 346.475 1.452 10 0 EDAELP COC(=O)[C@@H](c1cccnc1)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000246510467 442788085 /nfs/dbraw/zinc/78/80/85/442788085.db2.gz UBESSXHHISMEOR-RHSMWYFYSA-N 2 2 335.448 1.320 10 0 EDAELP COC(=O)[C@@H](c1cccnc1)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000246510467 442788089 /nfs/dbraw/zinc/78/80/89/442788089.db2.gz UBESSXHHISMEOR-RHSMWYFYSA-N 2 2 335.448 1.320 10 0 EDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000190678282 443161771 /nfs/dbraw/zinc/16/17/71/443161771.db2.gz FFEISWGLMHASIW-QGZVFWFLSA-N 2 2 342.447 1.442 10 0 EDAELP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000190678282 443161775 /nfs/dbraw/zinc/16/17/75/443161775.db2.gz FFEISWGLMHASIW-QGZVFWFLSA-N 2 2 342.447 1.442 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000662742255 453469818 /nfs/dbraw/zinc/46/98/18/453469818.db2.gz NJLPOXMNNOQBQB-MOPGFXCFSA-N 2 2 344.503 1.451 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000662742255 453469827 /nfs/dbraw/zinc/46/98/27/453469827.db2.gz NJLPOXMNNOQBQB-MOPGFXCFSA-N 2 2 344.503 1.451 10 0 EDAELP C[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909687 533845895 /nfs/dbraw/zinc/84/58/95/533845895.db2.gz JQSAQCOTCMBHOE-ZDUSSCGKSA-N 2 2 327.388 1.465 10 0 EDAELP C[NH+]1CCN(Nc2[nH+]cnc(NCc3ccccc3Cl)c2N)CC1 ZINC000040757047 213383907 /nfs/dbraw/zinc/38/39/07/213383907.db2.gz PKEPNFNAKSHDEB-UHFFFAOYSA-N 2 2 347.854 1.899 10 0 EDAELP COc1c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C)nn1C ZINC000093147699 138291929 /nfs/dbraw/zinc/29/19/29/138291929.db2.gz CEPAEAHRDNIFGS-INIZCTEOSA-N 2 2 335.496 1.339 10 0 EDAELP COc1c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C)nn1C ZINC000093147699 138291930 /nfs/dbraw/zinc/29/19/30/138291930.db2.gz CEPAEAHRDNIFGS-INIZCTEOSA-N 2 2 335.496 1.339 10 0 EDAELP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n(C)n1 ZINC000195516221 139019041 /nfs/dbraw/zinc/01/90/41/139019041.db2.gz AIKOBKALNVGTRM-OAHLLOKOSA-N 2 2 342.447 1.804 10 0 EDAELP Cc1cc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n(C)n1 ZINC000195516221 139019042 /nfs/dbraw/zinc/01/90/42/139019042.db2.gz AIKOBKALNVGTRM-OAHLLOKOSA-N 2 2 342.447 1.804 10 0 EDAELP C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000111493138 220161636 /nfs/dbraw/zinc/16/16/36/220161636.db2.gz QWRHLKUVVWTJKF-WBVHZDCISA-N 2 2 334.464 1.137 10 0 EDAELP C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000111493138 220161641 /nfs/dbraw/zinc/16/16/41/220161641.db2.gz QWRHLKUVVWTJKF-WBVHZDCISA-N 2 2 334.464 1.137 10 0 EDAELP C[C@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000111493138 220161643 /nfs/dbraw/zinc/16/16/43/220161643.db2.gz QWRHLKUVVWTJKF-WBVHZDCISA-N 2 2 334.464 1.137 10 0 EDAELP C[C@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000111493138 220161646 /nfs/dbraw/zinc/16/16/46/220161646.db2.gz QWRHLKUVVWTJKF-WBVHZDCISA-N 2 2 334.464 1.137 10 0 EDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000249186338 139188744 /nfs/dbraw/zinc/18/87/44/139188744.db2.gz OEFKKWXUFZXJKI-STQMWFEESA-N 2 2 332.404 1.114 10 0 EDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000249186338 139188745 /nfs/dbraw/zinc/18/87/45/139188745.db2.gz OEFKKWXUFZXJKI-STQMWFEESA-N 2 2 332.404 1.114 10 0 EDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000249369483 139191869 /nfs/dbraw/zinc/19/18/69/139191869.db2.gz WCVXFYLLQLJTJI-SJLPKXTDSA-N 2 2 345.491 1.638 10 0 EDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000249369483 139191870 /nfs/dbraw/zinc/19/18/70/139191870.db2.gz WCVXFYLLQLJTJI-SJLPKXTDSA-N 2 2 345.491 1.638 10 0 EDAELP COCCOc1cc2c(cc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)OCO2 ZINC000261819627 139228844 /nfs/dbraw/zinc/22/88/44/139228844.db2.gz XVDRYWCONHZIPH-QGZVFWFLSA-N 2 2 336.432 2.000 10 0 EDAELP COCCOc1cc2c(cc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)OCO2 ZINC000261819627 139228845 /nfs/dbraw/zinc/22/88/45/139228845.db2.gz XVDRYWCONHZIPH-QGZVFWFLSA-N 2 2 336.432 2.000 10 0 EDAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261911068 139236169 /nfs/dbraw/zinc/23/61/69/139236169.db2.gz XOJIMVMEUVRTJU-KRWDZBQOSA-N 2 2 349.475 1.721 10 0 EDAELP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261911068 139236170 /nfs/dbraw/zinc/23/61/70/139236170.db2.gz XOJIMVMEUVRTJU-KRWDZBQOSA-N 2 2 349.475 1.721 10 0 EDAELP CN1CC[NH2+]C[C@H]1c1noc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000263235300 139330147 /nfs/dbraw/zinc/33/01/47/139330147.db2.gz NXTUVTAWYYCHDO-CVEARBPZSA-N 2 2 327.432 1.983 10 0 EDAELP CN1CC[NH2+]C[C@H]1c1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000263235300 139330148 /nfs/dbraw/zinc/33/01/48/139330148.db2.gz NXTUVTAWYYCHDO-CVEARBPZSA-N 2 2 327.432 1.983 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000117425339 221061739 /nfs/dbraw/zinc/06/17/39/221061739.db2.gz AZLPXESOEUYPQM-IAGOWNOFSA-N 2 2 345.487 1.612 10 0 EDAELP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000117425339 221061740 /nfs/dbraw/zinc/06/17/40/221061740.db2.gz AZLPXESOEUYPQM-IAGOWNOFSA-N 2 2 345.487 1.612 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000117425339 221061742 /nfs/dbraw/zinc/06/17/42/221061742.db2.gz AZLPXESOEUYPQM-IAGOWNOFSA-N 2 2 345.487 1.612 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000117425339 221061743 /nfs/dbraw/zinc/06/17/43/221061743.db2.gz AZLPXESOEUYPQM-IAGOWNOFSA-N 2 2 345.487 1.612 10 0 EDAELP CCC[C@@H](C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000179109945 276020666 /nfs/dbraw/zinc/02/06/66/276020666.db2.gz AXOPUVSSCLMKKX-ZWKOTPCHSA-N 2 2 333.476 1.595 10 0 EDAELP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)c1 ZINC000261703159 277387106 /nfs/dbraw/zinc/38/71/06/277387106.db2.gz IGQLLOOIUJPDKO-IRXDYDNUSA-N 2 2 347.459 1.868 10 0 EDAELP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)c1 ZINC000261703159 277387107 /nfs/dbraw/zinc/38/71/07/277387107.db2.gz IGQLLOOIUJPDKO-IRXDYDNUSA-N 2 2 347.459 1.868 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OC)c(O)c2)nc[nH+]1 ZINC000105904846 441315190 /nfs/dbraw/zinc/31/51/90/441315190.db2.gz VXKPLRCWFFOZLU-AWEZNQCLSA-N 2 2 343.431 1.991 10 0 EDAELP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1N1CCOCC1 ZINC000177233886 442317498 /nfs/dbraw/zinc/31/74/98/442317498.db2.gz AEHPKSFICZUICE-WBVHZDCISA-N 2 2 327.432 1.420 10 0 EDAELP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644129 442366544 /nfs/dbraw/zinc/36/65/44/442366544.db2.gz UFONXYPEVLIJRI-CHWSQXEVSA-N 2 2 342.451 1.410 10 0 EDAELP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644129 442366546 /nfs/dbraw/zinc/36/65/46/442366546.db2.gz UFONXYPEVLIJRI-CHWSQXEVSA-N 2 2 342.451 1.410 10 0 EDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCS[C@@H](C)C1 ZINC000171692689 442370562 /nfs/dbraw/zinc/37/05/62/442370562.db2.gz HCXSFQAQSUMQIL-GJZGRUSLSA-N 2 2 334.489 1.556 10 0 EDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCS[C@@H](C)C1 ZINC000171692689 442370567 /nfs/dbraw/zinc/37/05/67/442370567.db2.gz HCXSFQAQSUMQIL-GJZGRUSLSA-N 2 2 334.489 1.556 10 0 EDAELP CCC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000172788016 442542209 /nfs/dbraw/zinc/54/22/09/442542209.db2.gz OJDICPADBHIIRP-JKSUJKDBSA-N 2 2 333.480 1.606 10 0 EDAELP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000172788016 442542211 /nfs/dbraw/zinc/54/22/11/442542211.db2.gz OJDICPADBHIIRP-JKSUJKDBSA-N 2 2 333.480 1.606 10 0 EDAELP CCC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000172788016 442542214 /nfs/dbraw/zinc/54/22/14/442542214.db2.gz OJDICPADBHIIRP-JKSUJKDBSA-N 2 2 333.480 1.606 10 0 EDAELP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000172788016 442542218 /nfs/dbraw/zinc/54/22/18/442542218.db2.gz OJDICPADBHIIRP-JKSUJKDBSA-N 2 2 333.480 1.606 10 0 EDAELP C[N@H+](CCN1CC[C@H](C[NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000181718567 442712517 /nfs/dbraw/zinc/71/25/17/442712517.db2.gz AJZHOGWRISFFHW-SFHVURJKSA-N 2 2 335.467 1.912 10 0 EDAELP C[N@@H+](CCN1CC[C@H](C[NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000181718567 442712519 /nfs/dbraw/zinc/71/25/19/442712519.db2.gz AJZHOGWRISFFHW-SFHVURJKSA-N 2 2 335.467 1.912 10 0 EDAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246387208 442777022 /nfs/dbraw/zinc/77/70/22/442777022.db2.gz IDXKNKMJIPRXCR-ZACQAIPSSA-N 2 2 340.512 1.374 10 0 EDAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246387208 442777027 /nfs/dbraw/zinc/77/70/27/442777027.db2.gz IDXKNKMJIPRXCR-ZACQAIPSSA-N 2 2 340.512 1.374 10 0 EDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000248629388 442910113 /nfs/dbraw/zinc/91/01/13/442910113.db2.gz GLSQCWZHFPYKRI-CABCVRRESA-N 2 2 339.505 1.968 10 0 EDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000248629388 442910118 /nfs/dbraw/zinc/91/01/18/442910118.db2.gz GLSQCWZHFPYKRI-CABCVRRESA-N 2 2 339.505 1.968 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000662744504 453473071 /nfs/dbraw/zinc/47/30/71/453473071.db2.gz PFSGVWLFKVKRIY-CEXWTWQISA-N 2 2 344.503 1.436 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000662744504 453473074 /nfs/dbraw/zinc/47/30/74/453473074.db2.gz PFSGVWLFKVKRIY-CEXWTWQISA-N 2 2 344.503 1.436 10 0 EDAELP CC(C)(C)n1cc(C[NH+]2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000178888856 486282417 /nfs/dbraw/zinc/28/24/17/486282417.db2.gz ONEQHFVHIFREQD-MRXNPFEDSA-N 2 2 333.480 1.424 10 0 EDAELP CCCC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173907321 528456890 /nfs/dbraw/zinc/45/68/90/528456890.db2.gz MEEDFNFXRCTMQU-KRWDZBQOSA-N 2 2 338.496 1.367 10 0 EDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000174237685 529054536 /nfs/dbraw/zinc/05/45/36/529054536.db2.gz WNFKBPZJAVGLHF-IAGOWNOFSA-N 2 2 338.496 1.367 10 0 EDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000174237685 529054547 /nfs/dbraw/zinc/05/45/47/529054547.db2.gz WNFKBPZJAVGLHF-IAGOWNOFSA-N 2 2 338.496 1.367 10 0 EDAELP CO[C@@H]1C[C@H](c2[nH]cc[nH+]2)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000888077555 590933118 /nfs/dbraw/zinc/93/31/18/590933118.db2.gz IKJQHIZCSQYEMD-HUUCEWRRSA-N 2 2 338.371 1.593 10 0 EDAELP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(C)(C)C ZINC000173890584 231062881 /nfs/dbraw/zinc/06/28/81/231062881.db2.gz ZNFBSDHMMRTBCK-HZPDHXFCSA-N 2 2 340.512 1.469 10 0 EDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246669683 282250080 /nfs/dbraw/zinc/25/00/80/282250080.db2.gz HXJSWLCYQIFQOD-ZWKOTPCHSA-N 2 2 337.508 1.820 10 0 EDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246669683 282250083 /nfs/dbraw/zinc/25/00/83/282250083.db2.gz HXJSWLCYQIFQOD-ZWKOTPCHSA-N 2 2 337.508 1.820 10 0 EDAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247250687 139142406 /nfs/dbraw/zinc/14/24/06/139142406.db2.gz ZRAGVJNFGKJDSM-MISYRCLQSA-N 3 2 346.519 1.728 10 0 EDAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247250687 139142407 /nfs/dbraw/zinc/14/24/07/139142407.db2.gz ZRAGVJNFGKJDSM-MISYRCLQSA-N 3 2 346.519 1.728 10 0 EDAELP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247355258 139145866 /nfs/dbraw/zinc/14/58/66/139145866.db2.gz LUOIXDYCDSTRHE-NEPJUHHUSA-N 2 2 330.354 1.882 10 0 EDAELP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247355258 139145867 /nfs/dbraw/zinc/14/58/67/139145867.db2.gz LUOIXDYCDSTRHE-NEPJUHHUSA-N 2 2 330.354 1.882 10 0 EDAELP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261678364 139216878 /nfs/dbraw/zinc/21/68/78/139216878.db2.gz GUDVBXVTWFXPIR-LRDDRELGSA-N 2 2 333.432 1.844 10 0 EDAELP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261678364 139216879 /nfs/dbraw/zinc/21/68/79/139216879.db2.gz GUDVBXVTWFXPIR-LRDDRELGSA-N 2 2 333.432 1.844 10 0 EDAELP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000371812360 156116632 /nfs/dbraw/zinc/11/66/32/156116632.db2.gz FLGCRMKZFSMWEO-GOSISDBHSA-N 2 2 340.427 1.478 10 0 EDAELP [NH3+][C@H](CC[N@@H+]1CCOC[C@@H]1CO)c1cccc(Br)c1 ZINC000168988161 226229506 /nfs/dbraw/zinc/22/95/06/226229506.db2.gz YLBQMQNHVJVQHR-UONOGXRCSA-N 2 2 329.238 1.532 10 0 EDAELP [NH3+][C@H](CC[N@H+]1CCOC[C@@H]1CO)c1cccc(Br)c1 ZINC000168988161 226229509 /nfs/dbraw/zinc/22/95/09/226229509.db2.gz YLBQMQNHVJVQHR-UONOGXRCSA-N 2 2 329.238 1.532 10 0 EDAELP C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000156266748 278199402 /nfs/dbraw/zinc/19/94/02/278199402.db2.gz VQMLFEGCFGGERM-SJORKVTESA-N 2 2 338.496 1.367 10 0 EDAELP C[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191584158 289073740 /nfs/dbraw/zinc/07/37/40/289073740.db2.gz AHSNPGXANOOBHS-AWEZNQCLSA-N 2 2 327.469 1.203 10 0 EDAELP C[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191584158 289073744 /nfs/dbraw/zinc/07/37/44/289073744.db2.gz AHSNPGXANOOBHS-AWEZNQCLSA-N 2 2 327.469 1.203 10 0 EDAELP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105178122 441241301 /nfs/dbraw/zinc/24/13/01/441241301.db2.gz RBAJPOYYXBBQLZ-MRXNPFEDSA-N 2 2 348.516 1.986 10 0 EDAELP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105178122 441241304 /nfs/dbraw/zinc/24/13/04/441241304.db2.gz RBAJPOYYXBBQLZ-MRXNPFEDSA-N 2 2 348.516 1.986 10 0 EDAELP O=C(NCC[NH+]1CCc2sccc2C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105178122 441241308 /nfs/dbraw/zinc/24/13/08/441241308.db2.gz RBAJPOYYXBBQLZ-MRXNPFEDSA-N 2 2 348.516 1.986 10 0 EDAELP O=C(NCC[NH+]1CCc2sccc2C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105178122 441241313 /nfs/dbraw/zinc/24/13/13/441241313.db2.gz RBAJPOYYXBBQLZ-MRXNPFEDSA-N 2 2 348.516 1.986 10 0 EDAELP CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000104787685 441209256 /nfs/dbraw/zinc/20/92/56/441209256.db2.gz AQIAAHHGEZNAGU-OAHLLOKOSA-N 2 2 335.452 1.058 10 0 EDAELP CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c[nH+]1 ZINC000104787685 441209263 /nfs/dbraw/zinc/20/92/63/441209263.db2.gz AQIAAHHGEZNAGU-OAHLLOKOSA-N 2 2 335.452 1.058 10 0 EDAELP CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c[nH+]1 ZINC000104787685 441209265 /nfs/dbraw/zinc/20/92/65/441209265.db2.gz AQIAAHHGEZNAGU-OAHLLOKOSA-N 2 2 335.452 1.058 10 0 EDAELP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863383 441294959 /nfs/dbraw/zinc/29/49/59/441294959.db2.gz LUKUAWNSCQTQOF-MRXNPFEDSA-N 2 2 349.523 1.973 10 0 EDAELP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863383 441294961 /nfs/dbraw/zinc/29/49/61/441294961.db2.gz LUKUAWNSCQTQOF-MRXNPFEDSA-N 2 2 349.523 1.973 10 0 EDAELP CC(C)CCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863370 441293915 /nfs/dbraw/zinc/29/39/15/441293915.db2.gz MTGGCPZESCDKFP-QGZVFWFLSA-N 2 2 349.523 1.830 10 0 EDAELP CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863370 441293918 /nfs/dbraw/zinc/29/39/18/441293918.db2.gz MTGGCPZESCDKFP-QGZVFWFLSA-N 2 2 349.523 1.830 10 0 EDAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115387412 441734659 /nfs/dbraw/zinc/73/46/59/441734659.db2.gz ZRVIJBAAAMFBKK-GOSISDBHSA-N 2 2 347.507 1.556 10 0 EDAELP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115387412 441734663 /nfs/dbraw/zinc/73/46/63/441734663.db2.gz ZRVIJBAAAMFBKK-GOSISDBHSA-N 2 2 347.507 1.556 10 0 EDAELP C[C@H]1CCCN(c2cc(N3CCC([N@H+](C)CCCO)CC3)nc[nH+]2)C1 ZINC000115519865 441752792 /nfs/dbraw/zinc/75/27/92/441752792.db2.gz YLODLWBAASYKOQ-INIZCTEOSA-N 2 2 347.507 1.996 10 0 EDAELP C[C@H]1CCCN(c2cc(N3CCC([N@@H+](C)CCCO)CC3)nc[nH+]2)C1 ZINC000115519865 441752794 /nfs/dbraw/zinc/75/27/94/441752794.db2.gz YLODLWBAASYKOQ-INIZCTEOSA-N 2 2 347.507 1.996 10 0 EDAELP C[C@H]1CCCN(c2cc(N3CCC([N@H+](C)CCCO)CC3)[nH+]cn2)C1 ZINC000115519865 441752797 /nfs/dbraw/zinc/75/27/97/441752797.db2.gz YLODLWBAASYKOQ-INIZCTEOSA-N 2 2 347.507 1.996 10 0 EDAELP C[C@H]1CCCN(c2cc(N3CCC([N@@H+](C)CCCO)CC3)[nH+]cn2)C1 ZINC000115519865 441752802 /nfs/dbraw/zinc/75/28/02/441752802.db2.gz YLODLWBAASYKOQ-INIZCTEOSA-N 2 2 347.507 1.996 10 0 EDAELP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](C)CCO2)cc1)C(C)C ZINC000171286748 442339129 /nfs/dbraw/zinc/33/91/29/442339129.db2.gz OKCNUPVXCZHYOH-GOSISDBHSA-N 2 2 333.476 1.977 10 0 EDAELP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](C)CCO2)cc1)C(C)C ZINC000171286748 442339130 /nfs/dbraw/zinc/33/91/30/442339130.db2.gz OKCNUPVXCZHYOH-GOSISDBHSA-N 2 2 333.476 1.977 10 0 EDAELP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1)C(C)C ZINC000171286748 442339132 /nfs/dbraw/zinc/33/91/32/442339132.db2.gz OKCNUPVXCZHYOH-GOSISDBHSA-N 2 2 333.476 1.977 10 0 EDAELP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1)C(C)C ZINC000171286748 442339133 /nfs/dbraw/zinc/33/91/33/442339133.db2.gz OKCNUPVXCZHYOH-GOSISDBHSA-N 2 2 333.476 1.977 10 0 EDAELP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000180477722 442609029 /nfs/dbraw/zinc/60/90/29/442609029.db2.gz NSLBLCHOBHVOTB-PKOBYXMFSA-N 2 2 333.476 1.058 10 0 EDAELP CCC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC000136115510 442651434 /nfs/dbraw/zinc/65/14/34/442651434.db2.gz CDNHCTRKSKEBAW-KRWDZBQOSA-N 2 2 346.475 1.160 10 0 EDAELP CCC[C@H](C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC000136115554 442651992 /nfs/dbraw/zinc/65/19/92/442651992.db2.gz CDNHCTRKSKEBAW-QGZVFWFLSA-N 2 2 346.475 1.160 10 0 EDAELP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246870493 442818797 /nfs/dbraw/zinc/81/87/97/442818797.db2.gz GDJUMMOCMYBQBA-IXDOHACOSA-N 2 2 338.496 1.223 10 0 EDAELP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246870493 442818803 /nfs/dbraw/zinc/81/88/03/442818803.db2.gz GDJUMMOCMYBQBA-IXDOHACOSA-N 2 2 338.496 1.223 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nc(COC)no2)nc[nH+]1 ZINC000183090244 442877995 /nfs/dbraw/zinc/87/79/95/442877995.db2.gz DRQUHBSACVYTJQ-NEPJUHHUSA-N 2 2 347.423 1.367 10 0 EDAELP CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1nccn1C ZINC000183216902 442905298 /nfs/dbraw/zinc/90/52/98/442905298.db2.gz PUDMZTMIAAIKAW-UONOGXRCSA-N 2 2 329.452 1.962 10 0 EDAELP CC[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)OC ZINC000171631099 529159250 /nfs/dbraw/zinc/15/92/50/529159250.db2.gz TZTDVAIKEYOQOU-MSOLQXFVSA-N 2 2 334.460 1.973 10 0 EDAELP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000046264937 138116113 /nfs/dbraw/zinc/11/61/13/138116113.db2.gz RTRUJVOGIKQQDW-KRWDZBQOSA-N 2 2 346.475 1.235 10 0 EDAELP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)n1 ZINC000131884856 138367349 /nfs/dbraw/zinc/36/73/49/138367349.db2.gz DAIAIJKNPZDDQB-HOTGVXAUSA-N 2 2 341.415 1.464 10 0 EDAELP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)n1 ZINC000131884856 138367351 /nfs/dbraw/zinc/36/73/51/138367351.db2.gz DAIAIJKNPZDDQB-HOTGVXAUSA-N 2 2 341.415 1.464 10 0 EDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000195293477 139012814 /nfs/dbraw/zinc/01/28/14/139012814.db2.gz PIBQNUTUDCICHQ-ROUUACIJSA-N 2 2 329.448 1.093 10 0 EDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000195293477 139012815 /nfs/dbraw/zinc/01/28/15/139012815.db2.gz PIBQNUTUDCICHQ-ROUUACIJSA-N 2 2 329.448 1.093 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000195293477 139012816 /nfs/dbraw/zinc/01/28/16/139012816.db2.gz PIBQNUTUDCICHQ-ROUUACIJSA-N 2 2 329.448 1.093 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000195293477 139012817 /nfs/dbraw/zinc/01/28/17/139012817.db2.gz PIBQNUTUDCICHQ-ROUUACIJSA-N 2 2 329.448 1.093 10 0 EDAELP C[C@@H]1CCCN(c2cc(NC[C@@H](O)C[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000246251733 139101174 /nfs/dbraw/zinc/10/11/74/139101174.db2.gz SQSOPCWABBWUBG-HZPDHXFCSA-N 2 2 333.480 1.972 10 0 EDAELP C[C@@H]1CCCN(c2cc(NC[C@@H](O)C[NH+]3CCCCC3)[nH+]cn2)C1 ZINC000246251733 139101175 /nfs/dbraw/zinc/10/11/75/139101175.db2.gz SQSOPCWABBWUBG-HZPDHXFCSA-N 2 2 333.480 1.972 10 0 EDAELP CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248398393 139161879 /nfs/dbraw/zinc/16/18/79/139161879.db2.gz NHXGNDXTNAGXHT-QZTJIDSGSA-N 2 2 346.475 1.006 10 0 EDAELP CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248398393 139161880 /nfs/dbraw/zinc/16/18/80/139161880.db2.gz NHXGNDXTNAGXHT-QZTJIDSGSA-N 2 2 346.475 1.006 10 0 EDAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261731422 139221401 /nfs/dbraw/zinc/22/14/01/139221401.db2.gz JXWMIMQMANRKQQ-PMPSAXMXSA-N 2 2 325.497 1.757 10 0 EDAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261731422 139221402 /nfs/dbraw/zinc/22/14/02/139221402.db2.gz JXWMIMQMANRKQQ-PMPSAXMXSA-N 2 2 325.497 1.757 10 0 EDAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000119536810 221343001 /nfs/dbraw/zinc/34/30/01/221343001.db2.gz UDZVCNKKXDANKM-CQSZACIVSA-N 2 2 333.480 1.828 10 0 EDAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000119536810 221343005 /nfs/dbraw/zinc/34/30/05/221343005.db2.gz UDZVCNKKXDANKM-CQSZACIVSA-N 2 2 333.480 1.828 10 0 EDAELP C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000073652502 287263084 /nfs/dbraw/zinc/26/30/84/287263084.db2.gz LUWOLMRCJBPAOG-HOTGVXAUSA-N 2 2 326.485 1.223 10 0 EDAELP C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000073652502 287263085 /nfs/dbraw/zinc/26/30/85/287263085.db2.gz LUWOLMRCJBPAOG-HOTGVXAUSA-N 2 2 326.485 1.223 10 0 EDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105846171 441292479 /nfs/dbraw/zinc/29/24/79/441292479.db2.gz HJCNBVDXWYAXLG-SFHVURJKSA-N 2 2 349.523 1.264 10 0 EDAELP 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338.427 1.058 10 0 EDAELP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccc(F)c1 ZINC000105082979 441230803 /nfs/dbraw/zinc/23/08/03/441230803.db2.gz WIXOYTOMKVFCFQ-HOTGVXAUSA-N 2 2 338.427 1.058 10 0 EDAELP CCc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000105083290 441231378 /nfs/dbraw/zinc/23/13/78/441231378.db2.gz CRWWXNVPYXSAFA-ROUUACIJSA-N 2 2 348.491 1.482 10 0 EDAELP CCc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000105083290 441231383 /nfs/dbraw/zinc/23/13/83/441231383.db2.gz CRWWXNVPYXSAFA-ROUUACIJSA-N 2 2 348.491 1.482 10 0 EDAELP CCC(C)(C)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797782 441272385 /nfs/dbraw/zinc/27/23/85/441272385.db2.gz GQYKVCCEFDCPNH-KBPBESRZSA-N 2 2 348.495 1.770 10 0 EDAELP CC(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000106428546 441343058 /nfs/dbraw/zinc/34/30/58/441343058.db2.gz MXDCDKLPBDQHBW-RBUKOAKNSA-N 2 2 347.503 1.632 10 0 EDAELP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000173645281 441812757 /nfs/dbraw/zinc/81/27/57/441812757.db2.gz ILQOJMFFMVJAEG-JKSUJKDBSA-N 2 2 333.476 1.953 10 0 EDAELP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173907297 441860437 /nfs/dbraw/zinc/86/04/37/441860437.db2.gz YMGBORRTTOAECK-KRWDZBQOSA-N 2 2 338.496 1.225 10 0 EDAELP CCOc1cc(C)nc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000120885565 442147495 /nfs/dbraw/zinc/14/74/95/442147495.db2.gz HSRUZIWBZIZOSQ-MRXNPFEDSA-N 2 2 333.480 1.790 10 0 EDAELP CCOc1cc(C)nc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000120885565 442147499 /nfs/dbraw/zinc/14/74/99/442147499.db2.gz HSRUZIWBZIZOSQ-MRXNPFEDSA-N 2 2 333.480 1.790 10 0 EDAELP Cc1cccc2[nH+]c(CNC(=O)N3CCO[C@H](C[NH+](C)C)C3)cn21 ZINC000172136153 442413779 /nfs/dbraw/zinc/41/37/79/442413779.db2.gz XPZDXJLKXUGKOS-OAHLLOKOSA-N 2 2 331.420 1.115 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](COC)C2CCOCC2)nc[nH+]1 ZINC000188181795 442720999 /nfs/dbraw/zinc/72/09/99/442720999.db2.gz WTHZVTUYOQHVDS-HOTGVXAUSA-N 2 2 349.479 1.518 10 0 EDAELP COc1ncccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000193337019 442734267 /nfs/dbraw/zinc/73/42/67/442734267.db2.gz GXQVTZYVOABNJD-UHFFFAOYSA-N 2 2 329.448 1.883 10 0 EDAELP COc1ncccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000193337019 442734269 /nfs/dbraw/zinc/73/42/69/442734269.db2.gz GXQVTZYVOABNJD-UHFFFAOYSA-N 2 2 329.448 1.883 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nnnn2C2CC2)nc[nH+]1 ZINC000190605645 443147283 /nfs/dbraw/zinc/14/72/83/443147283.db2.gz BYOWEEDDNHFDRR-WCQYABFASA-N 2 2 343.439 1.159 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616596247 450454489 /nfs/dbraw/zinc/45/44/89/450454489.db2.gz UDDZTDKXMQEQSW-CQSZACIVSA-N 2 2 336.436 1.952 10 0 EDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616596247 450454490 /nfs/dbraw/zinc/45/44/90/450454490.db2.gz UDDZTDKXMQEQSW-CQSZACIVSA-N 2 2 336.436 1.952 10 0 EDAELP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662741606 453467143 /nfs/dbraw/zinc/46/71/43/453467143.db2.gz FWUKDBLDCMUYTH-CGTJXYLNSA-N 2 2 332.492 1.292 10 0 EDAELP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662741606 453467151 /nfs/dbraw/zinc/46/71/51/453467151.db2.gz FWUKDBLDCMUYTH-CGTJXYLNSA-N 2 2 332.492 1.292 10 0 EDAELP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000245954446 535953166 /nfs/dbraw/zinc/95/31/66/535953166.db2.gz LQVHMASPLXKAHJ-YXWQFLTLSA-N 2 2 339.505 2.000 10 0 EDAELP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000245954446 535953171 /nfs/dbraw/zinc/95/31/71/535953171.db2.gz LQVHMASPLXKAHJ-YXWQFLTLSA-N 2 2 339.505 2.000 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000117277320 595605432 /nfs/dbraw/zinc/60/54/32/595605432.db2.gz RLGBEKARTVECBH-HNNXBMFYSA-N 2 2 343.431 1.450 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000117277320 595605433 /nfs/dbraw/zinc/60/54/33/595605433.db2.gz RLGBEKARTVECBH-HNNXBMFYSA-N 2 2 343.431 1.450 10 0 EDAELP C[N@H+](CCN1CC[NH+](CC(=O)NC2CC2)CC1)Cc1ccc(F)cc1 ZINC000173178982 540093639 /nfs/dbraw/zinc/09/36/39/540093639.db2.gz XLQHPLSJGFVCMS-UHFFFAOYSA-N 2 2 348.466 1.154 10 0 EDAELP Cn1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nnc1C1CC1 ZINC000173951810 237270500 /nfs/dbraw/zinc/27/05/00/237270500.db2.gz CMAODXJULHHVNP-UHFFFAOYSA-N 2 2 333.480 1.769 10 0 EDAELP O[C@@H](COC1CCOCC1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000245868690 139088033 /nfs/dbraw/zinc/08/80/33/139088033.db2.gz MWEVEPFUIRDPLW-HZPDHXFCSA-N 2 2 335.448 1.372 10 0 EDAELP O[C@@H](COC1CCOCC1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000245868690 139088034 /nfs/dbraw/zinc/08/80/34/139088034.db2.gz MWEVEPFUIRDPLW-HZPDHXFCSA-N 2 2 335.448 1.372 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC[C@@H]1[NH3+] ZINC000261606567 139210214 /nfs/dbraw/zinc/21/02/14/139210214.db2.gz ASNCSUUBYLEVJK-CJNGLKHVSA-N 2 2 333.432 1.002 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC[C@@H]1[NH3+] ZINC000261606567 139210215 /nfs/dbraw/zinc/21/02/15/139210215.db2.gz ASNCSUUBYLEVJK-CJNGLKHVSA-N 2 2 333.432 1.002 10 0 EDAELP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000139550202 441821128 /nfs/dbraw/zinc/82/11/28/441821128.db2.gz JBBFLCYCYLXSKZ-QGZVFWFLSA-N 2 2 327.432 1.825 10 0 EDAELP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000139550202 441821133 /nfs/dbraw/zinc/82/11/33/441821133.db2.gz JBBFLCYCYLXSKZ-QGZVFWFLSA-N 2 2 327.432 1.825 10 0 EDAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000175795165 442123396 /nfs/dbraw/zinc/12/33/96/442123396.db2.gz UWGCGTWAVJBDFR-CYBMUJFWSA-N 2 2 331.416 1.555 10 0 EDAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000175795165 442123402 /nfs/dbraw/zinc/12/34/02/442123402.db2.gz UWGCGTWAVJBDFR-CYBMUJFWSA-N 2 2 331.416 1.555 10 0 EDAELP O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000127471986 442205700 /nfs/dbraw/zinc/20/57/00/442205700.db2.gz MWEVEPFUIRDPLW-CVEARBPZSA-N 2 2 335.448 1.372 10 0 EDAELP O[C@H](COC1CCOCC1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000127471986 442205703 /nfs/dbraw/zinc/20/57/03/442205703.db2.gz MWEVEPFUIRDPLW-CVEARBPZSA-N 2 2 335.448 1.372 10 0 EDAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000176447013 442223270 /nfs/dbraw/zinc/22/32/70/442223270.db2.gz VUNDITZFLHOLCY-AWEZNQCLSA-N 2 2 330.432 1.499 10 0 EDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128306190 442259004 /nfs/dbraw/zinc/25/90/04/442259004.db2.gz LTGINPSFIAFDNA-CVEARBPZSA-N 2 2 331.464 1.786 10 0 EDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128306190 442259005 /nfs/dbraw/zinc/25/90/05/442259005.db2.gz LTGINPSFIAFDNA-CVEARBPZSA-N 2 2 331.464 1.786 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000178754436 442475435 /nfs/dbraw/zinc/47/54/35/442475435.db2.gz AXPHRKRJPFTHTO-CQSZACIVSA-N 2 2 329.429 1.926 10 0 EDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000178886364 442514265 /nfs/dbraw/zinc/51/42/65/442514265.db2.gz ZRYOGZDSEZAUSP-SFHVURJKSA-N 2 2 341.459 1.381 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000246480986 442784759 /nfs/dbraw/zinc/78/47/59/442784759.db2.gz RRZYKTNGROJVKA-ZWKOTPCHSA-N 2 2 346.475 1.453 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000246480986 442784766 /nfs/dbraw/zinc/78/47/66/442784766.db2.gz RRZYKTNGROJVKA-ZWKOTPCHSA-N 2 2 346.475 1.453 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC[N@@H+]1C[C@@H](C)O ZINC000246761032 442810698 /nfs/dbraw/zinc/81/06/98/442810698.db2.gz HTYYXUWLGISBHB-QRQLOZEOSA-N 2 2 347.503 1.983 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC[N@H+]1C[C@@H](C)O ZINC000246761032 442810701 /nfs/dbraw/zinc/81/07/01/442810701.db2.gz HTYYXUWLGISBHB-QRQLOZEOSA-N 2 2 347.503 1.983 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC[NH+]1C[C@@H](C)O ZINC000246761032 442810703 /nfs/dbraw/zinc/81/07/03/442810703.db2.gz HTYYXUWLGISBHB-QRQLOZEOSA-N 2 2 347.503 1.983 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC[NH+]1C[C@@H](C)O ZINC000246761032 442810706 /nfs/dbraw/zinc/81/07/06/442810706.db2.gz HTYYXUWLGISBHB-QRQLOZEOSA-N 2 2 347.503 1.983 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)nc[nH+]1 ZINC000245729873 443246286 /nfs/dbraw/zinc/24/62/86/443246286.db2.gz JHJGZGJNFFNRMO-IJEWVQPXSA-N 2 2 330.480 1.702 10 0 EDAELP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000638086331 451252326 /nfs/dbraw/zinc/25/23/26/451252326.db2.gz DRHCKXAJCFMNHV-CGTJXYLNSA-N 2 2 331.460 1.616 10 0 EDAELP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000638086331 451252329 /nfs/dbraw/zinc/25/23/29/451252329.db2.gz DRHCKXAJCFMNHV-CGTJXYLNSA-N 2 2 331.460 1.616 10 0 EDAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662744570 453473370 /nfs/dbraw/zinc/47/33/70/453473370.db2.gz RAOBNVAJUAAXDN-MSOLQXFVSA-N 2 2 332.492 1.292 10 0 EDAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662744570 453473376 /nfs/dbraw/zinc/47/33/76/453473376.db2.gz RAOBNVAJUAAXDN-MSOLQXFVSA-N 2 2 332.492 1.292 10 0 EDAELP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)C1CCOCC1 ZINC000897713933 591639273 /nfs/dbraw/zinc/63/92/73/591639273.db2.gz NDPQMHPDAKHVKC-LSDHHAIUSA-N 2 2 334.464 1.877 10 0 EDAELP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)C1CCOCC1 ZINC000897713933 591639276 /nfs/dbraw/zinc/63/92/76/591639276.db2.gz NDPQMHPDAKHVKC-LSDHHAIUSA-N 2 2 334.464 1.877 10 0 EDAELP C[NH+](C)CCCCCCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173902002 231065856 /nfs/dbraw/zinc/06/58/56/231065856.db2.gz GMKCIKPSKCRZLX-KRWDZBQOSA-N 2 2 340.512 1.615 10 0 EDAELP Cc1cccc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)c1C ZINC000040755021 213383621 /nfs/dbraw/zinc/38/36/21/213383621.db2.gz ZQWZXILFNSYECD-UHFFFAOYSA-N 2 2 327.436 1.994 10 0 EDAELP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000070182859 215681397 /nfs/dbraw/zinc/68/13/97/215681397.db2.gz KKLRJSXMERBQKO-QWRGUYRKSA-N 2 2 341.253 1.842 10 0 EDAELP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000070182859 215681399 /nfs/dbraw/zinc/68/13/99/215681399.db2.gz KKLRJSXMERBQKO-QWRGUYRKSA-N 2 2 341.253 1.842 10 0 EDAELP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC000261999475 139242839 /nfs/dbraw/zinc/24/28/39/139242839.db2.gz TZFDNRWXYKAWMO-JTQLQIEISA-N 2 2 348.394 1.558 10 0 EDAELP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC000261999475 139242840 /nfs/dbraw/zinc/24/28/40/139242840.db2.gz TZFDNRWXYKAWMO-JTQLQIEISA-N 2 2 348.394 1.558 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000153162429 532951349 /nfs/dbraw/zinc/95/13/49/532951349.db2.gz XLSYQOMYPYVWKW-HZPDHXFCSA-N 2 2 347.463 1.022 10 0 EDAELP COCC[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000153162429 532951353 /nfs/dbraw/zinc/95/13/53/532951353.db2.gz XLSYQOMYPYVWKW-HZPDHXFCSA-N 2 2 347.463 1.022 10 0 EDAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCOC)C12CCOCC2 ZINC000186314275 286389067 /nfs/dbraw/zinc/38/90/67/286389067.db2.gz UFJJKQRFTBAKAU-YESZJQIVSA-N 2 2 326.481 1.661 10 0 EDAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCOC)C12CCOCC2 ZINC000186314275 286389069 /nfs/dbraw/zinc/38/90/69/286389069.db2.gz UFJJKQRFTBAKAU-YESZJQIVSA-N 2 2 326.481 1.661 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C[C@H](C)O ZINC000246726726 280375656 /nfs/dbraw/zinc/37/56/56/280375656.db2.gz FBWDVJWXPGLDNH-JQHSSLGASA-N 2 2 333.476 1.593 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C[C@H](C)O ZINC000246726726 280375658 /nfs/dbraw/zinc/37/56/58/280375658.db2.gz FBWDVJWXPGLDNH-JQHSSLGASA-N 2 2 333.476 1.593 10 0 EDAELP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1c(F)cccc1F ZINC000115842924 289356539 /nfs/dbraw/zinc/35/65/39/289356539.db2.gz QFIGAXOHPSUQLD-IUODEOHRSA-N 2 2 340.418 1.913 10 0 EDAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105101298 441233663 /nfs/dbraw/zinc/23/36/63/441233663.db2.gz DNWCUQADURADLS-INIZCTEOSA-N 2 2 327.432 1.757 10 0 EDAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105101298 441233666 /nfs/dbraw/zinc/23/36/66/441233666.db2.gz DNWCUQADURADLS-INIZCTEOSA-N 2 2 327.432 1.757 10 0 EDAELP C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000107832577 441432330 /nfs/dbraw/zinc/43/23/30/441432330.db2.gz JIQXRAIKLLFVEX-DLBZAZTESA-N 2 2 338.496 1.367 10 0 EDAELP CC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1CCOC ZINC000177132170 442301787 /nfs/dbraw/zinc/30/17/87/442301787.db2.gz XAEFFVMSLJYDDL-KRWDZBQOSA-N 2 2 329.448 1.810 10 0 EDAELP CC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1CCOC ZINC000177132170 442301791 /nfs/dbraw/zinc/30/17/91/442301791.db2.gz XAEFFVMSLJYDDL-KRWDZBQOSA-N 2 2 329.448 1.810 10 0 EDAELP Cn1ncnc1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177133665 442302849 /nfs/dbraw/zinc/30/28/49/442302849.db2.gz CABHZRVHWJPFDD-SFHVURJKSA-N 2 2 343.475 1.693 10 0 EDAELP Cn1ncnc1C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177133665 442302852 /nfs/dbraw/zinc/30/28/52/442302852.db2.gz CABHZRVHWJPFDD-SFHVURJKSA-N 2 2 343.475 1.693 10 0 EDAELP Cn1cc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000131911852 442383162 /nfs/dbraw/zinc/38/31/62/442383162.db2.gz FFNIJFGDSIZJAJ-KRWDZBQOSA-N 2 2 341.463 1.299 10 0 EDAELP Cn1cc([C@@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000131911852 442383163 /nfs/dbraw/zinc/38/31/63/442383163.db2.gz FFNIJFGDSIZJAJ-KRWDZBQOSA-N 2 2 341.463 1.299 10 0 EDAELP CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000186207159 442486094 /nfs/dbraw/zinc/48/60/94/442486094.db2.gz FJJBGGYPYGSCSN-CQSZACIVSA-N 2 2 343.431 1.926 10 0 EDAELP CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000186207159 442486099 /nfs/dbraw/zinc/48/60/99/442486099.db2.gz FJJBGGYPYGSCSN-CQSZACIVSA-N 2 2 343.431 1.926 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000157379533 442577793 /nfs/dbraw/zinc/57/77/93/442577793.db2.gz QBLVZKWQLRCHAD-BRWVUGGUSA-N 2 2 340.512 1.515 10 0 EDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000157379533 442577796 /nfs/dbraw/zinc/57/77/96/442577796.db2.gz QBLVZKWQLRCHAD-BRWVUGGUSA-N 2 2 340.512 1.515 10 0 EDAELP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000182354206 442759410 /nfs/dbraw/zinc/75/94/10/442759410.db2.gz KYMSODIUTPYYTG-MRXNPFEDSA-N 2 2 333.480 1.688 10 0 EDAELP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000245593092 443238531 /nfs/dbraw/zinc/23/85/31/443238531.db2.gz BJDXRGBKEYFUST-JKSUJKDBSA-N 2 2 326.485 1.080 10 0 EDAELP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000245593092 443238533 /nfs/dbraw/zinc/23/85/33/443238533.db2.gz BJDXRGBKEYFUST-JKSUJKDBSA-N 2 2 326.485 1.080 10 0 EDAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617882 448446688 /nfs/dbraw/zinc/44/66/88/448446688.db2.gz DFRPHRXJHBQJDD-SFHVURJKSA-N 2 2 338.415 1.782 10 0 EDAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617882 448446693 /nfs/dbraw/zinc/44/66/93/448446693.db2.gz DFRPHRXJHBQJDD-SFHVURJKSA-N 2 2 338.415 1.782 10 0 EDAELP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000173961135 534371327 /nfs/dbraw/zinc/37/13/27/534371327.db2.gz BMILGBYXBRYGPH-BPQIPLTHSA-N 2 2 331.460 1.468 10 0 EDAELP CC[NH2+][C@@H](Cc1ccc(Br)cn1)[C@@H]1C[NH+]2CCN1CC2 ZINC000167939003 528391548 /nfs/dbraw/zinc/39/15/48/528391548.db2.gz KTXXDVHKPHJNKE-GJZGRUSLSA-N 2 2 339.281 1.365 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(=O)n3nccc3[nH]2)C1 ZINC000108867962 536174473 /nfs/dbraw/zinc/17/44/73/536174473.db2.gz JFNJIYHLVNVSFI-CQSZACIVSA-N 2 2 326.404 1.619 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C1 ZINC000108867962 536174480 /nfs/dbraw/zinc/17/44/80/536174480.db2.gz JFNJIYHLVNVSFI-CQSZACIVSA-N 2 2 326.404 1.619 10 0 EDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000174691747 529405374 /nfs/dbraw/zinc/40/53/74/529405374.db2.gz IDLDRJPEOIOCQY-HZPDHXFCSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000174691747 529405376 /nfs/dbraw/zinc/40/53/76/529405376.db2.gz IDLDRJPEOIOCQY-HZPDHXFCSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000174691747 529405378 /nfs/dbraw/zinc/40/53/78/529405378.db2.gz IDLDRJPEOIOCQY-HZPDHXFCSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000174691747 529405379 /nfs/dbraw/zinc/40/53/79/529405379.db2.gz IDLDRJPEOIOCQY-HZPDHXFCSA-N 2 2 338.496 1.365 10 0 EDAELP CN1C(=O)CCc2cc(C[NH2+]C[C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000187158587 530043081 /nfs/dbraw/zinc/04/30/81/530043081.db2.gz AMVDJMJSTWCKSM-QGZVFWFLSA-N 2 2 331.460 1.532 10 0 EDAELP CCn1cc(C2CC[NH+]([C@H](C)C(=O)N3CC[NH+](CC)CC3)CC2)cn1 ZINC000195500235 139018263 /nfs/dbraw/zinc/01/82/63/139018263.db2.gz JILOLSLLRKMHLV-MRXNPFEDSA-N 2 2 347.507 1.635 10 0 EDAELP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n(C)n1 ZINC000195515858 139018804 /nfs/dbraw/zinc/01/88/04/139018804.db2.gz FPHUKZMUUHAIPR-AWEZNQCLSA-N 2 2 328.420 1.496 10 0 EDAELP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n(C)n1 ZINC000195515858 139018805 /nfs/dbraw/zinc/01/88/05/139018805.db2.gz FPHUKZMUUHAIPR-AWEZNQCLSA-N 2 2 328.420 1.496 10 0 EDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000245417810 139073514 /nfs/dbraw/zinc/07/35/14/139073514.db2.gz KMMKQIKMMQSHFN-HRCADAONSA-N 2 2 326.485 1.221 10 0 EDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000245417810 139073515 /nfs/dbraw/zinc/07/35/15/139073515.db2.gz KMMKQIKMMQSHFN-HRCADAONSA-N 2 2 326.485 1.221 10 0 EDAELP COCC[N@@H+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@@H]1C ZINC000246231931 139100344 /nfs/dbraw/zinc/10/03/44/139100344.db2.gz RBFPWQQMXSIZGG-CVEARBPZSA-N 2 2 333.480 1.870 10 0 EDAELP COCC[N@H+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@@H]1C ZINC000246231931 139100345 /nfs/dbraw/zinc/10/03/45/139100345.db2.gz RBFPWQQMXSIZGG-CVEARBPZSA-N 2 2 333.480 1.870 10 0 EDAELP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000246714217 139118285 /nfs/dbraw/zinc/11/82/85/139118285.db2.gz KXDBUILGVLUQCA-IXDOHACOSA-N 2 2 345.487 1.347 10 0 EDAELP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000246714217 139118286 /nfs/dbraw/zinc/11/82/86/139118286.db2.gz KXDBUILGVLUQCA-IXDOHACOSA-N 2 2 345.487 1.347 10 0 EDAELP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000246714217 139118287 /nfs/dbraw/zinc/11/82/87/139118287.db2.gz KXDBUILGVLUQCA-IXDOHACOSA-N 2 2 345.487 1.347 10 0 EDAELP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000246714217 139118288 /nfs/dbraw/zinc/11/82/88/139118288.db2.gz KXDBUILGVLUQCA-IXDOHACOSA-N 2 2 345.487 1.347 10 0 EDAELP O=C1[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1CC(F)(F)F ZINC000252442874 139204556 /nfs/dbraw/zinc/20/45/56/139204556.db2.gz FCIHNGKCYGUNPS-OLZOCXBDSA-N 2 2 342.365 1.979 10 0 EDAELP O=C1[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1CC(F)(F)F ZINC000252442874 139204557 /nfs/dbraw/zinc/20/45/57/139204557.db2.gz FCIHNGKCYGUNPS-OLZOCXBDSA-N 2 2 342.365 1.979 10 0 EDAELP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261610365 139210713 /nfs/dbraw/zinc/21/07/13/139210713.db2.gz BEISCUINMVLBLY-HIFRSBDPSA-N 2 2 332.448 1.460 10 0 EDAELP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261610365 139210714 /nfs/dbraw/zinc/21/07/14/139210714.db2.gz BEISCUINMVLBLY-HIFRSBDPSA-N 2 2 332.448 1.460 10 0 EDAELP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261634407 139213101 /nfs/dbraw/zinc/21/31/01/139213101.db2.gz DBYRATOUNIAKJF-CXAGYDPISA-N 2 2 349.475 1.940 10 0 EDAELP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261634407 139213102 /nfs/dbraw/zinc/21/31/02/139213102.db2.gz DBYRATOUNIAKJF-CXAGYDPISA-N 2 2 349.475 1.940 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC[C@@H]1[NH3+] ZINC000261915960 139236731 /nfs/dbraw/zinc/23/67/31/139236731.db2.gz YDCYKXWEOQKLNX-AWEZNQCLSA-N 2 2 348.403 1.123 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC[C@@H]1[NH3+] ZINC000261915960 139236732 /nfs/dbraw/zinc/23/67/32/139236732.db2.gz YDCYKXWEOQKLNX-AWEZNQCLSA-N 2 2 348.403 1.123 10 0 EDAELP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000262881609 139310147 /nfs/dbraw/zinc/31/01/47/139310147.db2.gz ZANXWEIZKLLLQR-LSDHHAIUSA-N 2 2 328.420 1.309 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C[C@@H](C)O ZINC000246726738 280376059 /nfs/dbraw/zinc/37/60/59/280376059.db2.gz FBWDVJWXPGLDNH-NXHRZFHOSA-N 2 2 333.476 1.593 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C[C@@H](C)O ZINC000246726738 280376060 /nfs/dbraw/zinc/37/60/60/280376060.db2.gz FBWDVJWXPGLDNH-NXHRZFHOSA-N 2 2 333.476 1.593 10 0 EDAELP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261674257 295133721 /nfs/dbraw/zinc/13/37/21/295133721.db2.gz JJWIPKRHCVXVNQ-CXAGYDPISA-N 2 2 349.475 1.768 10 0 EDAELP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261674257 295133723 /nfs/dbraw/zinc/13/37/23/295133723.db2.gz JJWIPKRHCVXVNQ-CXAGYDPISA-N 2 2 349.475 1.768 10 0 EDAELP C[C@H]([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[NH+]1CCOCC1 ZINC000105093940 441232309 /nfs/dbraw/zinc/23/23/09/441232309.db2.gz VRSLJCJAVRHEJF-JZXOWHBKSA-N 2 2 348.491 1.698 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000104781879 441208031 /nfs/dbraw/zinc/20/80/31/441208031.db2.gz HLEZOPNAJXBOBK-SFHVURJKSA-N 2 2 346.475 1.065 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000104781879 441208036 /nfs/dbraw/zinc/20/80/36/441208036.db2.gz HLEZOPNAJXBOBK-SFHVURJKSA-N 2 2 346.475 1.065 10 0 EDAELP C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000104781879 441208038 /nfs/dbraw/zinc/20/80/38/441208038.db2.gz HLEZOPNAJXBOBK-SFHVURJKSA-N 2 2 346.475 1.065 10 0 EDAELP C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000104781879 441208041 /nfs/dbraw/zinc/20/80/41/441208041.db2.gz HLEZOPNAJXBOBK-SFHVURJKSA-N 2 2 346.475 1.065 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000104797488 441211317 /nfs/dbraw/zinc/21/13/17/441211317.db2.gz WWIMUGGNSIRJRO-GOSISDBHSA-N 2 2 346.475 1.412 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000104797488 441211322 /nfs/dbraw/zinc/21/13/22/441211322.db2.gz WWIMUGGNSIRJRO-GOSISDBHSA-N 2 2 346.475 1.412 10 0 EDAELP C[C@@H](C(=O)NC1CCCC1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105862995 441294974 /nfs/dbraw/zinc/29/49/74/441294974.db2.gz NTJFYTBJJJBNNP-INIZCTEOSA-N 2 2 347.507 1.727 10 0 EDAELP C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105862995 441294978 /nfs/dbraw/zinc/29/49/78/441294978.db2.gz NTJFYTBJJJBNNP-INIZCTEOSA-N 2 2 347.507 1.727 10 0 EDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000114717226 441677959 /nfs/dbraw/zinc/67/79/59/441677959.db2.gz DMZZTHOYYPCSEV-BZUAXINKSA-N 2 2 332.448 1.499 10 0 EDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000114717226 441677961 /nfs/dbraw/zinc/67/79/61/441677961.db2.gz DMZZTHOYYPCSEV-BZUAXINKSA-N 2 2 332.448 1.499 10 0 EDAELP C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000175667849 442102585 /nfs/dbraw/zinc/10/25/85/442102585.db2.gz LYLJCDATLOHMDD-GDBMZVCRSA-N 2 2 347.463 1.010 10 0 EDAELP CCn1c(C)nnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182610454 442794701 /nfs/dbraw/zinc/79/47/01/442794701.db2.gz WPLZAKNAGKSMFV-SJPCQFCGSA-N 2 2 332.496 1.349 10 0 EDAELP CCn1c(C)nnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182610454 442794704 /nfs/dbraw/zinc/79/47/04/442794704.db2.gz WPLZAKNAGKSMFV-SJPCQFCGSA-N 2 2 332.496 1.349 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000183113127 442881852 /nfs/dbraw/zinc/88/18/52/442881852.db2.gz XZDQPIJLIKLSNJ-GOSISDBHSA-N 2 2 337.431 1.891 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000183113127 442881857 /nfs/dbraw/zinc/88/18/57/442881857.db2.gz XZDQPIJLIKLSNJ-GOSISDBHSA-N 2 2 337.431 1.891 10 0 EDAELP Cc1nc(CN2CCC[N@H+](Cc3cccc4[nH+]ccn43)CC2)no1 ZINC000183394893 442927584 /nfs/dbraw/zinc/92/75/84/442927584.db2.gz XZKLFROLURZYOK-UHFFFAOYSA-N 2 2 326.404 1.734 10 0 EDAELP Cc1nc(CN2CCC[N@@H+](Cc3cccc4[nH+]ccn43)CC2)no1 ZINC000183394893 442927588 /nfs/dbraw/zinc/92/75/88/442927588.db2.gz XZKLFROLURZYOK-UHFFFAOYSA-N 2 2 326.404 1.734 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662740988 453467813 /nfs/dbraw/zinc/46/78/13/453467813.db2.gz BMHZJBGTHDXBNI-RBUKOAKNSA-N 2 2 344.503 1.309 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662740988 453467819 /nfs/dbraw/zinc/46/78/19/453467819.db2.gz BMHZJBGTHDXBNI-RBUKOAKNSA-N 2 2 344.503 1.309 10 0 EDAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171904285 534680203 /nfs/dbraw/zinc/68/02/03/534680203.db2.gz UPOVSXIUWXQJJJ-MRXNPFEDSA-N 2 2 325.416 1.862 10 0 EDAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171904285 534680206 /nfs/dbraw/zinc/68/02/06/534680206.db2.gz UPOVSXIUWXQJJJ-MRXNPFEDSA-N 2 2 325.416 1.862 10 0 EDAELP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261766063 536401554 /nfs/dbraw/zinc/40/15/54/536401554.db2.gz LZXCYDAVZVLCOV-MRXNPFEDSA-N 2 2 337.439 1.722 10 0 EDAELP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261766063 536401556 /nfs/dbraw/zinc/40/15/56/536401556.db2.gz LZXCYDAVZVLCOV-MRXNPFEDSA-N 2 2 337.439 1.722 10 0 EDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000171905521 530049768 /nfs/dbraw/zinc/04/97/68/530049768.db2.gz PYQBGJPWOPPNHK-GOSISDBHSA-N 3 2 349.523 1.035 10 0 EDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000171905521 530049769 /nfs/dbraw/zinc/04/97/69/530049769.db2.gz PYQBGJPWOPPNHK-GOSISDBHSA-N 3 2 349.523 1.035 10 0 EDAELP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Br)o1)N1CC[NH2+]CC1 ZINC000040508100 213325568 /nfs/dbraw/zinc/32/55/68/213325568.db2.gz JYDJKICUAGYVML-LBPRGKRZSA-N 2 2 342.237 1.438 10 0 EDAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Br)o1)N1CC[NH2+]CC1 ZINC000040508100 213325572 /nfs/dbraw/zinc/32/55/72/213325572.db2.gz JYDJKICUAGYVML-LBPRGKRZSA-N 2 2 342.237 1.438 10 0 EDAELP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261658839 139215147 /nfs/dbraw/zinc/21/51/47/139215147.db2.gz IDGNIMALKAXMNP-WMZOPIPTSA-N 2 2 344.503 1.783 10 0 EDAELP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261658839 139215148 /nfs/dbraw/zinc/21/51/48/139215148.db2.gz IDGNIMALKAXMNP-WMZOPIPTSA-N 2 2 344.503 1.783 10 0 EDAELP CC[N@H+](CCCNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117027569 221023757 /nfs/dbraw/zinc/02/37/57/221023757.db2.gz QZPLHYVKHSDDNY-GOSISDBHSA-N 2 2 348.491 1.875 10 0 EDAELP CC[N@@H+](CCCNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117027569 221023761 /nfs/dbraw/zinc/02/37/61/221023761.db2.gz QZPLHYVKHSDDNY-GOSISDBHSA-N 2 2 348.491 1.875 10 0 EDAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743432 275004364 /nfs/dbraw/zinc/00/43/64/275004364.db2.gz OSXRFISJGDGSIA-OALUTQOASA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743432 275004365 /nfs/dbraw/zinc/00/43/65/275004365.db2.gz OSXRFISJGDGSIA-OALUTQOASA-N 2 2 343.471 1.584 10 0 EDAELP CCCCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863369 441293948 /nfs/dbraw/zinc/29/39/48/441293948.db2.gz LLYXNMXDPKZEMS-INIZCTEOSA-N 2 2 335.496 1.584 10 0 EDAELP CCCCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863369 441293951 /nfs/dbraw/zinc/29/39/51/441293951.db2.gz LLYXNMXDPKZEMS-INIZCTEOSA-N 2 2 335.496 1.584 10 0 EDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000113594708 441616768 /nfs/dbraw/zinc/61/67/68/441616768.db2.gz ISLSBSLGRAPSJD-DOTOQJQBSA-N 2 2 343.475 1.929 10 0 EDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000113594708 441616771 /nfs/dbraw/zinc/61/67/71/441616771.db2.gz ISLSBSLGRAPSJD-DOTOQJQBSA-N 2 2 343.475 1.929 10 0 EDAELP CC(C)OCC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000173648327 441815196 /nfs/dbraw/zinc/81/51/96/441815196.db2.gz YPHRCWDYXYQGQI-IBGZPJMESA-N 2 2 347.503 1.729 10 0 EDAELP C[N@H+](CCCN1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000173682994 441823842 /nfs/dbraw/zinc/82/38/42/441823842.db2.gz ZEAUKPDHZHKUAV-UHFFFAOYSA-N 2 2 335.496 1.002 10 0 EDAELP C[N@@H+](CCCN1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000173682994 441823846 /nfs/dbraw/zinc/82/38/46/441823846.db2.gz ZEAUKPDHZHKUAV-UHFFFAOYSA-N 2 2 335.496 1.002 10 0 EDAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000151342441 442046031 /nfs/dbraw/zinc/04/60/31/442046031.db2.gz ZSJNJDQWWNZDIR-GOEBONIOSA-N 2 2 340.489 1.588 10 0 EDAELP C[C@H]1CCCN(c2cc(N3CC[NH+](CC(C)(C)O)CC3)nc[nH+]2)C1 ZINC000171910848 442390294 /nfs/dbraw/zinc/39/02/94/442390294.db2.gz BUSJRIWHZOYURO-HNNXBMFYSA-N 2 2 333.480 1.606 10 0 EDAELP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172749971 442534025 /nfs/dbraw/zinc/53/40/25/442534025.db2.gz FAKLBMMHZJFPHE-IBGZPJMESA-N 2 2 343.471 1.829 10 0 EDAELP C[N@H+](CCO[C@@H]1CCCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000193050441 442708375 /nfs/dbraw/zinc/70/83/75/442708375.db2.gz HVVIPLITKAQFEM-GOSISDBHSA-N 2 2 336.480 1.823 10 0 EDAELP C[N@@H+](CCO[C@@H]1CCCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000193050441 442708376 /nfs/dbraw/zinc/70/83/76/442708376.db2.gz HVVIPLITKAQFEM-GOSISDBHSA-N 2 2 336.480 1.823 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H]1CC ZINC000246485864 442784815 /nfs/dbraw/zinc/78/48/15/442784815.db2.gz OXRDXFNLKUKAEH-IEBWSBKVSA-N 2 2 345.487 1.833 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H]1CC ZINC000246485864 442784820 /nfs/dbraw/zinc/78/48/20/442784820.db2.gz OXRDXFNLKUKAEH-IEBWSBKVSA-N 2 2 345.487 1.833 10 0 EDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000195265041 443002449 /nfs/dbraw/zinc/00/24/49/443002449.db2.gz HWUFHZFEIKBRQW-OAHLLOKOSA-N 2 2 336.505 1.731 10 0 EDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000195265041 443002451 /nfs/dbraw/zinc/00/24/51/443002451.db2.gz HWUFHZFEIKBRQW-OAHLLOKOSA-N 2 2 336.505 1.731 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000195265041 443002453 /nfs/dbraw/zinc/00/24/53/443002453.db2.gz HWUFHZFEIKBRQW-OAHLLOKOSA-N 2 2 336.505 1.731 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000195265041 443002456 /nfs/dbraw/zinc/00/24/56/443002456.db2.gz HWUFHZFEIKBRQW-OAHLLOKOSA-N 2 2 336.505 1.731 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC000195268858 443003418 /nfs/dbraw/zinc/00/34/18/443003418.db2.gz KCTHZJSZBQESHO-OAHLLOKOSA-N 2 2 338.521 1.977 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC000195268858 443003420 /nfs/dbraw/zinc/00/34/20/443003420.db2.gz KCTHZJSZBQESHO-OAHLLOKOSA-N 2 2 338.521 1.977 10 0 EDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCC(C)C)C1 ZINC000195268858 443003423 /nfs/dbraw/zinc/00/34/23/443003423.db2.gz KCTHZJSZBQESHO-OAHLLOKOSA-N 2 2 338.521 1.977 10 0 EDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCC(C)C)C1 ZINC000195268858 443003425 /nfs/dbraw/zinc/00/34/25/443003425.db2.gz KCTHZJSZBQESHO-OAHLLOKOSA-N 2 2 338.521 1.977 10 0 EDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000389216000 447482954 /nfs/dbraw/zinc/48/29/54/447482954.db2.gz CVBZVQSJDWBKFD-UONOGXRCSA-N 2 2 343.265 1.873 10 0 EDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000389216000 447482960 /nfs/dbraw/zinc/48/29/60/447482960.db2.gz CVBZVQSJDWBKFD-UONOGXRCSA-N 2 2 343.265 1.873 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000261601713 535352797 /nfs/dbraw/zinc/35/27/97/535352797.db2.gz AFRNUXLTZYKFPP-KRWDZBQOSA-N 2 2 341.459 1.548 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000261601713 535352801 /nfs/dbraw/zinc/35/28/01/535352801.db2.gz AFRNUXLTZYKFPP-KRWDZBQOSA-N 2 2 341.459 1.548 10 0 EDAELP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)C1CCOCC1 ZINC000897713932 591639439 /nfs/dbraw/zinc/63/94/39/591639439.db2.gz NDPQMHPDAKHVKC-HUUCEWRRSA-N 2 2 334.464 1.877 10 0 EDAELP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC[N@H+]1C(C)(C)C)C1CCOCC1 ZINC000897713932 591639442 /nfs/dbraw/zinc/63/94/42/591639442.db2.gz NDPQMHPDAKHVKC-HUUCEWRRSA-N 2 2 334.464 1.877 10 0 EDAELP COc1ccc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)cc1 ZINC000040756905 213383586 /nfs/dbraw/zinc/38/35/86/213383586.db2.gz ARIYGNGNWFVKGZ-UHFFFAOYSA-N 2 2 329.408 1.385 10 0 EDAELP C[NH+]1CCC(N2CC[N@H+](Cc3ccccc3F)C[C@@H]2CCO)CC1 ZINC000020211486 212112285 /nfs/dbraw/zinc/11/22/85/212112285.db2.gz ITUCCCJAQLLKPO-SFHVURJKSA-N 2 2 335.467 1.789 10 0 EDAELP C[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3F)C[C@@H]2CCO)CC1 ZINC000020211486 212112288 /nfs/dbraw/zinc/11/22/88/212112288.db2.gz ITUCCCJAQLLKPO-SFHVURJKSA-N 2 2 335.467 1.789 10 0 EDAELP C[NH+]1CCC([N@@H+]2CCN(Cc3ccccc3F)C[C@@H]2CCO)CC1 ZINC000020211486 212112290 /nfs/dbraw/zinc/11/22/90/212112290.db2.gz ITUCCCJAQLLKPO-SFHVURJKSA-N 2 2 335.467 1.789 10 0 EDAELP C[NH+]1CCC([N@H+]2CCN(Cc3ccccc3F)C[C@@H]2CCO)CC1 ZINC000020211486 212112292 /nfs/dbraw/zinc/11/22/92/212112292.db2.gz ITUCCCJAQLLKPO-SFHVURJKSA-N 2 2 335.467 1.789 10 0 EDAELP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261813301 139228170 /nfs/dbraw/zinc/22/81/70/139228170.db2.gz XBKOFZGPRUIBHF-RISCZKNCSA-N 2 2 336.411 1.922 10 0 EDAELP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261813301 139228171 /nfs/dbraw/zinc/22/81/71/139228171.db2.gz XBKOFZGPRUIBHF-RISCZKNCSA-N 2 2 336.411 1.922 10 0 EDAELP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC000261999478 139242907 /nfs/dbraw/zinc/24/29/07/139242907.db2.gz TZFDNRWXYKAWMO-SNVBAGLBSA-N 2 2 348.394 1.558 10 0 EDAELP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC000261999478 139242908 /nfs/dbraw/zinc/24/29/08/139242908.db2.gz TZFDNRWXYKAWMO-SNVBAGLBSA-N 2 2 348.394 1.558 10 0 EDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000105198951 441242454 /nfs/dbraw/zinc/24/24/54/441242454.db2.gz KCDUJBZJBRMTCZ-LSDHHAIUSA-N 2 2 338.452 1.292 10 0 EDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000105198951 441242457 /nfs/dbraw/zinc/24/24/57/441242457.db2.gz KCDUJBZJBRMTCZ-LSDHHAIUSA-N 2 2 338.452 1.292 10 0 EDAELP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104797351 441210862 /nfs/dbraw/zinc/21/08/62/441210862.db2.gz VKKGRBJKNFBXJZ-GOSISDBHSA-N 2 2 348.491 1.610 10 0 EDAELP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104797351 441210863 /nfs/dbraw/zinc/21/08/63/441210863.db2.gz VKKGRBJKNFBXJZ-GOSISDBHSA-N 2 2 348.491 1.610 10 0 EDAELP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000104798848 441211541 /nfs/dbraw/zinc/21/15/41/441211541.db2.gz SECFDGSIUMKADF-HOTGVXAUSA-N 2 2 338.427 1.058 10 0 EDAELP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000104798848 441211546 /nfs/dbraw/zinc/21/15/46/441211546.db2.gz SECFDGSIUMKADF-HOTGVXAUSA-N 2 2 338.427 1.058 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)NC(C)(C)C)nc[nH+]1 ZINC000105797667 441272142 /nfs/dbraw/zinc/27/21/42/441272142.db2.gz ZGMZGKIOBFHVIB-OLZOCXBDSA-N 2 2 334.468 1.380 10 0 EDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000113586260 441615626 /nfs/dbraw/zinc/61/56/26/441615626.db2.gz JIPKBLIYOCGZHS-GDBMZVCRSA-N 2 2 327.432 1.755 10 0 EDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000113586260 441615629 /nfs/dbraw/zinc/61/56/29/441615629.db2.gz JIPKBLIYOCGZHS-GDBMZVCRSA-N 2 2 327.432 1.755 10 0 EDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000113594705 441616644 /nfs/dbraw/zinc/61/66/44/441616644.db2.gz ISLSBSLGRAPSJD-NVXWUHKLSA-N 2 2 343.475 1.929 10 0 EDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000113594705 441616647 /nfs/dbraw/zinc/61/66/47/441616647.db2.gz ISLSBSLGRAPSJD-NVXWUHKLSA-N 2 2 343.475 1.929 10 0 EDAELP CC[C@H](C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)[NH+](C)C ZINC000123689005 441894589 /nfs/dbraw/zinc/89/45/89/441894589.db2.gz ULLDBSCRBGNXBF-HUUCEWRRSA-N 2 2 339.505 1.920 10 0 EDAELP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000154647932 442350134 /nfs/dbraw/zinc/35/01/34/442350134.db2.gz AIFNIZIEAXARDC-RDJZCZTQSA-N 2 2 332.448 1.976 10 0 EDAELP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000154647932 442350135 /nfs/dbraw/zinc/35/01/35/442350135.db2.gz AIFNIZIEAXARDC-RDJZCZTQSA-N 2 2 332.448 1.976 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000178755134 442475574 /nfs/dbraw/zinc/47/55/74/442475574.db2.gz PTYDKSGVOVWORW-AWEZNQCLSA-N 2 2 341.415 1.394 10 0 EDAELP Cc1[nH+]ccn1CCCCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000172766382 442538683 /nfs/dbraw/zinc/53/86/83/442538683.db2.gz AMZMONRDCRVCCV-OAHLLOKOSA-N 2 2 330.436 1.835 10 0 EDAELP Cc1[nH+]ccn1CCCCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000172766382 442538689 /nfs/dbraw/zinc/53/86/89/442538689.db2.gz AMZMONRDCRVCCV-OAHLLOKOSA-N 2 2 330.436 1.835 10 0 EDAELP C[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000193440291 442743188 /nfs/dbraw/zinc/74/31/88/442743188.db2.gz BLHMEMASPAMZLT-MRXNPFEDSA-N 2 2 338.496 1.225 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1CC ZINC000246485885 442784921 /nfs/dbraw/zinc/78/49/21/442784921.db2.gz OXRDXFNLKUKAEH-PKOBYXMFSA-N 2 2 345.487 1.833 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1CC ZINC000246485885 442784924 /nfs/dbraw/zinc/78/49/24/442784924.db2.gz OXRDXFNLKUKAEH-PKOBYXMFSA-N 2 2 345.487 1.833 10 0 EDAELP c1ncn([C@@H]2CCC[NH+](CCC[N@@H+]3CCC[C@@H](n4cncn4)C3)C2)n1 ZINC000246848644 442817521 /nfs/dbraw/zinc/81/75/21/442817521.db2.gz CTQNAGUENJCAEP-IAGOWNOFSA-N 2 2 344.467 1.234 10 0 EDAELP c1ncn([C@@H]2CCC[NH+](CCC[N@H+]3CCC[C@@H](n4cncn4)C3)C2)n1 ZINC000246848644 442817527 /nfs/dbraw/zinc/81/75/27/442817527.db2.gz CTQNAGUENJCAEP-IAGOWNOFSA-N 2 2 344.467 1.234 10 0 EDAELP FC(F)(F)COCC[N@H+](Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000261919381 443174854 /nfs/dbraw/zinc/17/48/54/443174854.db2.gz USWXPKWIWNIRSL-CQSZACIVSA-N 2 2 332.370 2.000 10 0 EDAELP FC(F)(F)COCC[N@@H+](Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000261919381 443174858 /nfs/dbraw/zinc/17/48/58/443174858.db2.gz USWXPKWIWNIRSL-CQSZACIVSA-N 2 2 332.370 2.000 10 0 EDAELP O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000383100530 319125502 /nfs/dbraw/zinc/12/55/02/319125502.db2.gz ZYDLQTAFADEYNT-QZTJIDSGSA-N 2 2 331.460 1.393 10 0 EDAELP O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000383100530 319125505 /nfs/dbraw/zinc/12/55/05/319125505.db2.gz ZYDLQTAFADEYNT-QZTJIDSGSA-N 2 2 331.460 1.393 10 0 EDAELP CC[N@@H+]1CCO[C@H](CNc2nc(NC)[nH+]cc2Br)C1 ZINC000166349278 527739360 /nfs/dbraw/zinc/73/93/60/527739360.db2.gz PVWFAZYFGUTYLE-SECBINFHSA-N 2 2 330.230 1.413 10 0 EDAELP CC[N@H+]1CCO[C@H](CNc2nc(NC)[nH+]cc2Br)C1 ZINC000166349278 527739361 /nfs/dbraw/zinc/73/93/61/527739361.db2.gz PVWFAZYFGUTYLE-SECBINFHSA-N 2 2 330.230 1.413 10 0 EDAELP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297730 535164946 /nfs/dbraw/zinc/16/49/46/535164946.db2.gz RHTALKJSKXYMNP-SJLPKXTDSA-N 2 2 332.492 1.996 10 0 EDAELP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297730 535164956 /nfs/dbraw/zinc/16/49/56/535164956.db2.gz RHTALKJSKXYMNP-SJLPKXTDSA-N 2 2 332.492 1.996 10 0 EDAELP CC(C)CNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297730 535164958 /nfs/dbraw/zinc/16/49/58/535164958.db2.gz RHTALKJSKXYMNP-SJLPKXTDSA-N 2 2 332.492 1.996 10 0 EDAELP CC(C)CNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297730 535164962 /nfs/dbraw/zinc/16/49/62/535164962.db2.gz RHTALKJSKXYMNP-SJLPKXTDSA-N 2 2 332.492 1.996 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)CC1 ZINC000195517825 535635451 /nfs/dbraw/zinc/63/54/51/535635451.db2.gz IWHMWTRBOXJYCE-GOEBONIOSA-N 2 2 349.479 1.185 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)CC1 ZINC000195517825 535635459 /nfs/dbraw/zinc/63/54/59/535635459.db2.gz IWHMWTRBOXJYCE-GOEBONIOSA-N 2 2 349.479 1.185 10 0 EDAELP CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1CCOC ZINC000117303670 595617014 /nfs/dbraw/zinc/61/70/14/595617014.db2.gz BJSBUZLFJCHFSA-MRXNPFEDSA-N 2 2 343.431 1.450 10 0 EDAELP CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1CCOC ZINC000117303670 595617016 /nfs/dbraw/zinc/61/70/16/595617016.db2.gz BJSBUZLFJCHFSA-MRXNPFEDSA-N 2 2 343.431 1.450 10 0 EDAELP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n(C)n1 ZINC000195516220 139018759 /nfs/dbraw/zinc/01/87/59/139018759.db2.gz AIKOBKALNVGTRM-HNNXBMFYSA-N 2 2 342.447 1.804 10 0 EDAELP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n(C)n1 ZINC000195516220 139018760 /nfs/dbraw/zinc/01/87/60/139018760.db2.gz AIKOBKALNVGTRM-HNNXBMFYSA-N 2 2 342.447 1.804 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ncccn3)C2)[nH+]1 ZINC000246036511 139092939 /nfs/dbraw/zinc/09/29/39/139092939.db2.gz VEXVTGVFGUXIMV-CABCVRRESA-N 2 2 340.431 1.941 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ncccn3)C2)[nH+]1 ZINC000246036511 139092940 /nfs/dbraw/zinc/09/29/40/139092940.db2.gz VEXVTGVFGUXIMV-CABCVRRESA-N 2 2 340.431 1.941 10 0 EDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000247472917 139149716 /nfs/dbraw/zinc/14/97/16/139149716.db2.gz RVZONBPBLXFXRC-IRXDYDNUSA-N 2 2 346.475 1.092 10 0 EDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000247472917 139149717 /nfs/dbraw/zinc/14/97/17/139149717.db2.gz RVZONBPBLXFXRC-IRXDYDNUSA-N 2 2 346.475 1.092 10 0 EDAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261731416 139221502 /nfs/dbraw/zinc/22/15/02/139221502.db2.gz JXWMIMQMANRKQQ-OWCLPIDISA-N 2 2 325.497 1.757 10 0 EDAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261731416 139221503 /nfs/dbraw/zinc/22/15/03/139221503.db2.gz JXWMIMQMANRKQQ-OWCLPIDISA-N 2 2 325.497 1.757 10 0 EDAELP CC1(C)C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000261811114 139228143 /nfs/dbraw/zinc/22/81/43/139228143.db2.gz WYVCHZRMKAEAOV-KRWDZBQOSA-N 2 2 348.466 1.534 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000261811114 139228144 /nfs/dbraw/zinc/22/81/44/139228144.db2.gz WYVCHZRMKAEAOV-KRWDZBQOSA-N 2 2 348.466 1.534 10 0 EDAELP C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N(C)C ZINC000189889377 272970175 /nfs/dbraw/zinc/97/01/75/272970175.db2.gz GGTHUOVUQZRZRJ-KBPBESRZSA-N 2 2 343.431 1.116 10 0 EDAELP C[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000175667867 279798041 /nfs/dbraw/zinc/79/80/41/279798041.db2.gz LYLJCDATLOHMDD-GOEBONIOSA-N 2 2 347.463 1.010 10 0 EDAELP CC[C@H](C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1)[NH+](C)C ZINC000123701996 280679718 /nfs/dbraw/zinc/67/97/18/280679718.db2.gz SWVAYYLBHAVMMW-HUUCEWRRSA-N 2 2 339.505 1.886 10 0 EDAELP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[NH+](C)CCO2)c1 ZINC000105207352 441241887 /nfs/dbraw/zinc/24/18/87/441241887.db2.gz VXNYBDOHYVVTEA-QGZVFWFLSA-N 2 2 334.464 1.268 10 0 EDAELP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[NH+](C)CCO2)c1 ZINC000105207352 441241889 /nfs/dbraw/zinc/24/18/89/441241889.db2.gz VXNYBDOHYVVTEA-QGZVFWFLSA-N 2 2 334.464 1.268 10 0 EDAELP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000105207352 441241894 /nfs/dbraw/zinc/24/18/94/441241894.db2.gz VXNYBDOHYVVTEA-QGZVFWFLSA-N 2 2 334.464 1.268 10 0 EDAELP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000105207352 441241897 /nfs/dbraw/zinc/24/18/97/441241897.db2.gz VXNYBDOHYVVTEA-QGZVFWFLSA-N 2 2 334.464 1.268 10 0 EDAELP O=C(CCc1cc[nH+]c(N2CCOCC2)c1)NCC[NH+]1CCCCC1 ZINC000065269876 441413311 /nfs/dbraw/zinc/41/33/11/441413311.db2.gz UIWYJBDLIIAOCL-UHFFFAOYSA-N 2 2 346.475 1.453 10 0 EDAELP CCC[NH+]1CCC(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000157743103 442609653 /nfs/dbraw/zinc/60/96/53/442609653.db2.gz KSBZDOFFKOMZBN-OAHLLOKOSA-N 2 2 326.485 1.128 10 0 EDAELP CC(C)c1nnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1C ZINC000182556627 442786589 /nfs/dbraw/zinc/78/65/89/442786589.db2.gz XAVRCLVUANSNCB-SJPCQFCGSA-N 2 2 346.523 1.681 10 0 EDAELP CC(C)c1nnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1C ZINC000182556627 442786592 /nfs/dbraw/zinc/78/65/92/442786592.db2.gz XAVRCLVUANSNCB-SJPCQFCGSA-N 2 2 346.523 1.681 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000247505369 442858687 /nfs/dbraw/zinc/85/86/87/442858687.db2.gz XWYCQIKAOGQALB-SJORKVTESA-N 2 2 325.497 1.820 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000247505369 442858691 /nfs/dbraw/zinc/85/86/91/442858691.db2.gz XWYCQIKAOGQALB-SJORKVTESA-N 2 2 325.497 1.820 10 0 EDAELP Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC000183090083 442878232 /nfs/dbraw/zinc/87/82/32/442878232.db2.gz DWQOPHDIXZHUGX-HZPDHXFCSA-N 2 2 337.464 1.712 10 0 EDAELP Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC000183090083 442878235 /nfs/dbraw/zinc/87/82/35/442878235.db2.gz DWQOPHDIXZHUGX-HZPDHXFCSA-N 2 2 337.464 1.712 10 0 EDAELP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1nccn1C ZINC000183216922 442904914 /nfs/dbraw/zinc/90/49/14/442904914.db2.gz PUDMZTMIAAIKAW-KGLIPLIRSA-N 2 2 329.452 1.962 10 0 EDAELP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000381383607 447460277 /nfs/dbraw/zinc/46/02/77/447460277.db2.gz SJXHYQXHFRKQSP-AYWYSENESA-N 3 2 343.515 1.942 10 0 EDAELP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000381383607 447460280 /nfs/dbraw/zinc/46/02/80/447460280.db2.gz SJXHYQXHFRKQSP-AYWYSENESA-N 3 2 343.515 1.942 10 0 EDAELP C[NH+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000381383607 447460283 /nfs/dbraw/zinc/46/02/83/447460283.db2.gz SJXHYQXHFRKQSP-AYWYSENESA-N 3 2 343.515 1.942 10 0 EDAELP C[NH+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000381383607 447460286 /nfs/dbraw/zinc/46/02/86/447460286.db2.gz SJXHYQXHFRKQSP-AYWYSENESA-N 3 2 343.515 1.942 10 0 EDAELP CC(C)[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638512142 451552349 /nfs/dbraw/zinc/55/23/49/451552349.db2.gz DZKLIIMLEFFJBS-QZTJIDSGSA-N 2 2 331.460 1.344 10 0 EDAELP CC(C)[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638512142 451552355 /nfs/dbraw/zinc/55/23/55/451552355.db2.gz DZKLIIMLEFFJBS-QZTJIDSGSA-N 2 2 331.460 1.344 10 0 EDAELP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173960518 534409031 /nfs/dbraw/zinc/40/90/31/534409031.db2.gz LIDFPVUZFQNMBV-CRAIPNDOSA-N 2 2 340.427 1.665 10 0 EDAELP CC1(C)C[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@@H]1[NH3+] ZINC000261626914 535353881 /nfs/dbraw/zinc/35/38/81/535353881.db2.gz CPDCVXCKOVTKJR-INIZCTEOSA-N 2 2 344.459 1.811 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@@H]1[NH3+] ZINC000261626914 535353884 /nfs/dbraw/zinc/35/38/84/535353884.db2.gz CPDCVXCKOVTKJR-INIZCTEOSA-N 2 2 344.459 1.811 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@H]1CC ZINC000248752595 535599625 /nfs/dbraw/zinc/59/96/25/535599625.db2.gz CEOXNCLPONUILD-MJGOQNOKSA-N 2 2 333.476 1.820 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@H]1CC ZINC000248752595 535599632 /nfs/dbraw/zinc/59/96/32/535599632.db2.gz CEOXNCLPONUILD-MJGOQNOKSA-N 2 2 333.476 1.820 10 0 EDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000246363652 536165825 /nfs/dbraw/zinc/16/58/25/536165825.db2.gz PYGBUAMYIJGUGI-HOTGVXAUSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000246363652 536165828 /nfs/dbraw/zinc/16/58/28/536165828.db2.gz PYGBUAMYIJGUGI-HOTGVXAUSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000246363652 536165831 /nfs/dbraw/zinc/16/58/31/536165831.db2.gz PYGBUAMYIJGUGI-HOTGVXAUSA-N 2 2 338.496 1.365 10 0 EDAELP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000246363652 536165833 /nfs/dbraw/zinc/16/58/33/536165833.db2.gz PYGBUAMYIJGUGI-HOTGVXAUSA-N 2 2 338.496 1.365 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000104792589 595110141 /nfs/dbraw/zinc/11/01/41/595110141.db2.gz ZIKUFEVNANMICW-INIZCTEOSA-N 2 2 329.404 1.002 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000104792589 595110146 /nfs/dbraw/zinc/11/01/46/595110146.db2.gz ZIKUFEVNANMICW-INIZCTEOSA-N 2 2 329.404 1.002 10 0 EDAELP COc1cccc(/C(C)=C/C(=O)N2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)c1 ZINC000864341674 596858208 /nfs/dbraw/zinc/85/82/08/596858208.db2.gz SAPRPFOMCJTKNB-JRUQTEEESA-N 2 2 340.427 1.785 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC[N@@H+]1C[C@@H](C)O ZINC000168013709 529377842 /nfs/dbraw/zinc/37/78/42/529377842.db2.gz LRSSROKKSXSIPP-KYJSFNMBSA-N 2 2 331.460 1.177 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC[N@H+]1C[C@@H](C)O ZINC000168013709 529377848 /nfs/dbraw/zinc/37/78/48/529377848.db2.gz LRSSROKKSXSIPP-KYJSFNMBSA-N 2 2 331.460 1.177 10 0 EDAELP CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(CC[NH3+])s2)CC1 ZINC000055083851 214271016 /nfs/dbraw/zinc/27/10/16/214271016.db2.gz KETAEPNMIZJRTC-GFCCVEGCSA-N 2 2 331.507 1.354 10 0 EDAELP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515872 139018907 /nfs/dbraw/zinc/01/89/07/139018907.db2.gz WRHPIOPHEIZXQB-LSDHHAIUSA-N 2 2 347.463 1.686 10 0 EDAELP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515872 139018908 /nfs/dbraw/zinc/01/89/08/139018908.db2.gz WRHPIOPHEIZXQB-LSDHHAIUSA-N 2 2 347.463 1.686 10 0 EDAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247657838 139153546 /nfs/dbraw/zinc/15/35/46/139153546.db2.gz YVOUOWSCUFKEDA-HOTGVXAUSA-N 2 2 340.512 1.517 10 0 EDAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247657838 139153547 /nfs/dbraw/zinc/15/35/47/139153547.db2.gz YVOUOWSCUFKEDA-HOTGVXAUSA-N 2 2 340.512 1.517 10 0 EDAELP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000247657838 139153548 /nfs/dbraw/zinc/15/35/48/139153548.db2.gz YVOUOWSCUFKEDA-HOTGVXAUSA-N 2 2 340.512 1.517 10 0 EDAELP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000247657838 139153549 /nfs/dbraw/zinc/15/35/49/139153549.db2.gz YVOUOWSCUFKEDA-HOTGVXAUSA-N 2 2 340.512 1.517 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000261678394 139216728 /nfs/dbraw/zinc/21/67/28/139216728.db2.gz JUAGSYIRKJUTPT-HNNXBMFYSA-N 2 2 339.867 1.894 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000261678394 139216729 /nfs/dbraw/zinc/21/67/29/139216729.db2.gz JUAGSYIRKJUTPT-HNNXBMFYSA-N 2 2 339.867 1.894 10 0 EDAELP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000261780523 139225343 /nfs/dbraw/zinc/22/53/43/139225343.db2.gz MWURNQLKAKMERR-SFHVURJKSA-N 3 2 344.503 1.390 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000261780523 139225344 /nfs/dbraw/zinc/22/53/44/139225344.db2.gz MWURNQLKAKMERR-SFHVURJKSA-N 3 2 344.503 1.390 10 0 EDAELP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262550243 139285933 /nfs/dbraw/zinc/28/59/33/139285933.db2.gz SHJJUNACXNGPSP-OAHLLOKOSA-N 2 2 325.478 1.496 10 0 EDAELP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262550243 139285934 /nfs/dbraw/zinc/28/59/34/139285934.db2.gz SHJJUNACXNGPSP-OAHLLOKOSA-N 2 2 325.478 1.496 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnn3ccccc23)nc[nH+]1 ZINC000171627085 533050271 /nfs/dbraw/zinc/05/02/71/533050271.db2.gz XQBRILMLAGPQKO-OAHLLOKOSA-N 2 2 337.431 1.925 10 0 EDAELP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151102568 278206415 /nfs/dbraw/zinc/20/64/15/278206415.db2.gz LUOIXDYCDSTRHE-NWDGAFQWSA-N 2 2 330.354 1.882 10 0 EDAELP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151102568 278206417 /nfs/dbraw/zinc/20/64/17/278206417.db2.gz LUOIXDYCDSTRHE-NWDGAFQWSA-N 2 2 330.354 1.882 10 0 EDAELP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180564600 279070911 /nfs/dbraw/zinc/07/09/11/279070911.db2.gz RUUXJEAOBTWMAG-HUUCEWRRSA-N 2 2 348.495 1.724 10 0 EDAELP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262389766 298632560 /nfs/dbraw/zinc/63/25/60/298632560.db2.gz OBPYDIXMCOLNHZ-SJORKVTESA-N 2 2 345.487 1.591 10 0 EDAELP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105121195 441236217 /nfs/dbraw/zinc/23/62/17/441236217.db2.gz TVUHEFSBPDWBCJ-INIZCTEOSA-N 2 2 340.431 1.647 10 0 EDAELP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105121195 441236220 /nfs/dbraw/zinc/23/62/20/441236220.db2.gz TVUHEFSBPDWBCJ-INIZCTEOSA-N 2 2 340.431 1.647 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)NCCC(C)C)nc[nH+]1 ZINC000105797752 441272313 /nfs/dbraw/zinc/27/23/13/441272313.db2.gz BTVQWKNDCXKZQA-CABCVRRESA-N 2 2 348.495 1.628 10 0 EDAELP CC(C)[C@H]1CN(c2cc(N)[nH+]cn2)C[C@@H]1NC(=O)C[NH+]1CCCCC1 ZINC000091254816 441688428 /nfs/dbraw/zinc/68/84/28/441688428.db2.gz NHQHMCNTYQMXRR-CABCVRRESA-N 2 2 346.479 1.122 10 0 EDAELP CC(C)[C@H]1CN(c2cc(N)nc[nH+]2)C[C@@H]1NC(=O)C[NH+]1CCCCC1 ZINC000091254816 441688432 /nfs/dbraw/zinc/68/84/32/441688432.db2.gz NHQHMCNTYQMXRR-CABCVRRESA-N 2 2 346.479 1.122 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)N(C)C(C)C)nc[nH+]1 ZINC000175184805 442012348 /nfs/dbraw/zinc/01/23/48/442012348.db2.gz SGIXVLAPZLAEMA-ZIAGYGMSSA-N 2 2 334.468 1.332 10 0 EDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000178886811 442514875 /nfs/dbraw/zinc/51/48/75/442514875.db2.gz TXLYXJZVNVRFAZ-JKSUJKDBSA-N 2 2 333.480 1.199 10 0 EDAELP C[C@H]1OCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000188258902 442730332 /nfs/dbraw/zinc/73/03/32/442730332.db2.gz SOAFJGJSNNTIRH-IAGOWNOFSA-N 2 2 337.508 1.868 10 0 EDAELP Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC000183090118 442877943 /nfs/dbraw/zinc/87/79/43/442877943.db2.gz DWQOPHDIXZHUGX-CVEARBPZSA-N 2 2 337.464 1.712 10 0 EDAELP Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC000183090118 442877946 /nfs/dbraw/zinc/87/79/46/442877946.db2.gz DWQOPHDIXZHUGX-CVEARBPZSA-N 2 2 337.464 1.712 10 0 EDAELP Cc1cncc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000189872845 443021759 /nfs/dbraw/zinc/02/17/59/443021759.db2.gz JVTAEOIGRRAAQP-LJQANCHMSA-N 2 2 332.492 1.617 10 0 EDAELP Cc1cncc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000189872845 443021761 /nfs/dbraw/zinc/02/17/61/443021761.db2.gz JVTAEOIGRRAAQP-LJQANCHMSA-N 2 2 332.492 1.617 10 0 EDAELP C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189882947 443023993 /nfs/dbraw/zinc/02/39/93/443023993.db2.gz DIVIKGBCKNIVRW-YJBOKZPZSA-N 2 2 330.432 1.216 10 0 EDAELP [NH3+]C[C@@H]1C[N@H+](Cc2nnnn2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000381298116 447459984 /nfs/dbraw/zinc/45/99/84/447459984.db2.gz MBQODKCYYWHYBT-MOPGFXCFSA-N 2 2 348.454 1.896 10 0 EDAELP [NH3+]C[C@@H]1C[N@@H+](Cc2nnnn2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000381298116 447459994 /nfs/dbraw/zinc/45/99/94/447459994.db2.gz MBQODKCYYWHYBT-MOPGFXCFSA-N 2 2 348.454 1.896 10 0 EDAELP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000066921976 215094860 /nfs/dbraw/zinc/09/48/60/215094860.db2.gz MYNIEAANLCFBBA-VVLHAWIVSA-N 2 2 325.497 1.721 10 0 EDAELP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000066921976 215094864 /nfs/dbraw/zinc/09/48/64/215094864.db2.gz MYNIEAANLCFBBA-VVLHAWIVSA-N 2 2 325.497 1.721 10 0 EDAELP CC[NH+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000066921976 215094866 /nfs/dbraw/zinc/09/48/66/215094866.db2.gz MYNIEAANLCFBBA-VVLHAWIVSA-N 2 2 325.497 1.721 10 0 EDAELP CC[NH+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000066921976 215094869 /nfs/dbraw/zinc/09/48/69/215094869.db2.gz MYNIEAANLCFBBA-VVLHAWIVSA-N 2 2 325.497 1.721 10 0 EDAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3ccc(F)c(F)c3)c2N)CC1 ZINC000040757027 213383696 /nfs/dbraw/zinc/38/36/96/213383696.db2.gz TUFXOIUKVGQWOQ-UHFFFAOYSA-N 2 2 335.362 1.655 10 0 EDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000079496033 138261881 /nfs/dbraw/zinc/26/18/81/138261881.db2.gz RGHGMPGWELWLGT-GOSISDBHSA-N 2 2 347.507 1.885 10 0 EDAELP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)n(C)n1 ZINC000131913740 223282960 /nfs/dbraw/zinc/28/29/60/223282960.db2.gz OQINZZPZOMGDEC-HOTGVXAUSA-N 2 2 341.415 1.382 10 0 EDAELP Cc1cc(N2CC[C@H]([N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)n(C)n1 ZINC000131913740 223282962 /nfs/dbraw/zinc/28/29/62/223282962.db2.gz OQINZZPZOMGDEC-HOTGVXAUSA-N 2 2 341.415 1.382 10 0 EDAELP O=C(CN1CC[NH+](C2CC2)CC1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000195217134 139010525 /nfs/dbraw/zinc/01/05/25/139010525.db2.gz VOPXWMUCOTUKNV-UHFFFAOYSA-N 2 2 349.504 1.457 10 0 EDAELP CC[NH+](CC)CCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111790240 220189418 /nfs/dbraw/zinc/18/94/18/220189418.db2.gz HOEIGNAWZBCWHC-UHFFFAOYSA-N 2 2 339.509 1.621 10 0 EDAELP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)n1C ZINC000012306354 211340343 /nfs/dbraw/zinc/34/03/43/211340343.db2.gz DISQUULHETZDRT-INIZCTEOSA-N 2 2 330.407 1.801 10 0 EDAELP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000261946963 139239262 /nfs/dbraw/zinc/23/92/62/139239262.db2.gz LEZLDOARYXBYCL-QAPCUYQASA-N 2 2 331.460 1.443 10 0 EDAELP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000262881606 139310094 /nfs/dbraw/zinc/31/00/94/139310094.db2.gz ZANXWEIZKLLLQR-CABCVRRESA-N 2 2 328.420 1.309 10 0 EDAELP CN1CC[NH2+]C[C@@H]1c1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000263306723 139334838 /nfs/dbraw/zinc/33/48/38/139334838.db2.gz XYVBJYBOZQGJSV-MRXNPFEDSA-N 2 2 343.431 1.145 10 0 EDAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000246933970 285194682 /nfs/dbraw/zinc/19/46/82/285194682.db2.gz MSMCVVQYCOOBHK-HUUCEWRRSA-N 2 2 346.479 1.478 10 0 EDAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000246933970 285194683 /nfs/dbraw/zinc/19/46/83/285194683.db2.gz MSMCVVQYCOOBHK-HUUCEWRRSA-N 2 2 346.479 1.478 10 0 EDAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000246933970 285194684 /nfs/dbraw/zinc/19/46/84/285194684.db2.gz MSMCVVQYCOOBHK-HUUCEWRRSA-N 2 2 346.479 1.478 10 0 EDAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000246933970 285194687 /nfs/dbraw/zinc/19/46/87/285194687.db2.gz MSMCVVQYCOOBHK-HUUCEWRRSA-N 2 2 346.479 1.478 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000175501692 279172341 /nfs/dbraw/zinc/17/23/41/279172341.db2.gz SFHFLAFDRJRKSS-INIZCTEOSA-N 2 2 335.452 1.088 10 0 EDAELP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000104782892 441207999 /nfs/dbraw/zinc/20/79/99/441207999.db2.gz STGVAIZTAOSFEX-DLBZAZTESA-N 2 2 340.512 1.373 10 0 EDAELP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000104782892 441208003 /nfs/dbraw/zinc/20/80/03/441208003.db2.gz STGVAIZTAOSFEX-DLBZAZTESA-N 2 2 340.512 1.373 10 0 EDAELP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104797352 441210356 /nfs/dbraw/zinc/21/03/56/441210356.db2.gz VKKGRBJKNFBXJZ-SFHVURJKSA-N 2 2 348.491 1.610 10 0 EDAELP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104797352 441210362 /nfs/dbraw/zinc/21/03/62/441210362.db2.gz VKKGRBJKNFBXJZ-SFHVURJKSA-N 2 2 348.491 1.610 10 0 EDAELP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105896964 441311582 /nfs/dbraw/zinc/31/15/82/441311582.db2.gz IIXRMGYDWVBWFT-OAHLLOKOSA-N 2 2 349.479 1.067 10 0 EDAELP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105896964 441311587 /nfs/dbraw/zinc/31/15/87/441311587.db2.gz IIXRMGYDWVBWFT-OAHLLOKOSA-N 2 2 349.479 1.067 10 0 EDAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000106522589 441348784 /nfs/dbraw/zinc/34/87/84/441348784.db2.gz PUGSAKXWYFUGHG-AEFFLSMTSA-N 2 2 347.507 1.224 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000175805244 442126270 /nfs/dbraw/zinc/12/62/70/442126270.db2.gz HVHGMFOKKSCCGQ-KRWDZBQOSA-N 2 2 349.479 1.478 10 0 EDAELP C[NH+](C)C1(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCOCC1 ZINC000132702375 442398320 /nfs/dbraw/zinc/39/83/20/442398320.db2.gz SSEAOMXFQYHGHB-CQSZACIVSA-N 2 2 327.469 1.696 10 0 EDAELP CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589982 442359825 /nfs/dbraw/zinc/35/98/25/442359825.db2.gz CBOWPWABGRVMRD-HOTGVXAUSA-N 2 2 335.496 1.583 10 0 EDAELP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589982 442359829 /nfs/dbraw/zinc/35/98/29/442359829.db2.gz CBOWPWABGRVMRD-HOTGVXAUSA-N 2 2 335.496 1.583 10 0 EDAELP CC[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC[N@@H+]1CCOC ZINC000246729986 442807861 /nfs/dbraw/zinc/80/78/61/442807861.db2.gz YGOYLTFDAQQAOH-FUHWJXTLSA-N 2 2 331.460 1.443 10 0 EDAELP CC[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC[N@H+]1CCOC ZINC000246729986 442807865 /nfs/dbraw/zinc/80/78/65/442807865.db2.gz YGOYLTFDAQQAOH-FUHWJXTLSA-N 2 2 331.460 1.443 10 0 EDAELP CC[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248453897 442893596 /nfs/dbraw/zinc/89/35/96/442893596.db2.gz LMBBWAKJJXKMQB-HOCLYGCPSA-N 2 2 349.479 1.134 10 0 EDAELP CC[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@H+]1C[C@H](C)O ZINC000248453897 442893597 /nfs/dbraw/zinc/89/35/97/442893597.db2.gz LMBBWAKJJXKMQB-HOCLYGCPSA-N 2 2 349.479 1.134 10 0 EDAELP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)n1C ZINC000227697460 443123086 /nfs/dbraw/zinc/12/30/86/443123086.db2.gz OWMOTCUJNBQCGH-UHFFFAOYSA-N 2 2 325.457 1.879 10 0 EDAELP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636282482 451651081 /nfs/dbraw/zinc/65/10/81/451651081.db2.gz LVUOPRZCBLGLSQ-VFPIZLKKSA-N 2 2 332.448 1.613 10 0 EDAELP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636282482 451651085 /nfs/dbraw/zinc/65/10/85/451651085.db2.gz LVUOPRZCBLGLSQ-VFPIZLKKSA-N 2 2 332.448 1.613 10 0 EDAELP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636282482 451651090 /nfs/dbraw/zinc/65/10/90/451651090.db2.gz LVUOPRZCBLGLSQ-VFPIZLKKSA-N 2 2 332.448 1.613 10 0 EDAELP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636282482 451651095 /nfs/dbraw/zinc/65/10/95/451651095.db2.gz LVUOPRZCBLGLSQ-VFPIZLKKSA-N 2 2 332.448 1.613 10 0 EDAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000665283544 453635117 /nfs/dbraw/zinc/63/51/17/453635117.db2.gz PMZOPSZLXWVEDV-YSIASYRMSA-N 3 2 330.520 1.780 10 0 EDAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000665283544 453635122 /nfs/dbraw/zinc/63/51/22/453635122.db2.gz PMZOPSZLXWVEDV-YSIASYRMSA-N 3 2 330.520 1.780 10 0 EDAELP CC[NH2+][C@@H](Cc1ccc(Br)cn1)[C@H]1C[N@H+](C)CCN1C ZINC000167918207 528390717 /nfs/dbraw/zinc/39/07/17/528390717.db2.gz KWAKFEFCLQWMGQ-LSDHHAIUSA-N 2 2 341.297 1.611 10 0 EDAELP CC[NH2+][C@@H](Cc1ccc(Br)cn1)[C@H]1C[N@@H+](C)CCN1C ZINC000167918207 528390721 /nfs/dbraw/zinc/39/07/21/528390721.db2.gz KWAKFEFCLQWMGQ-LSDHHAIUSA-N 2 2 341.297 1.611 10 0 EDAELP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000105281311 138301081 /nfs/dbraw/zinc/30/10/81/138301081.db2.gz LWNXIONYBHFAHD-QGZVFWFLSA-N 2 2 340.512 1.471 10 0 EDAELP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000105281311 138301082 /nfs/dbraw/zinc/30/10/82/138301082.db2.gz LWNXIONYBHFAHD-QGZVFWFLSA-N 2 2 340.512 1.471 10 0 EDAELP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000105281311 138301083 /nfs/dbraw/zinc/30/10/83/138301083.db2.gz LWNXIONYBHFAHD-QGZVFWFLSA-N 2 2 340.512 1.471 10 0 EDAELP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000105281311 138301084 /nfs/dbraw/zinc/30/10/84/138301084.db2.gz LWNXIONYBHFAHD-QGZVFWFLSA-N 2 2 340.512 1.471 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3cccnc3)C2)[nH+]1 ZINC000111213019 220113203 /nfs/dbraw/zinc/11/32/03/220113203.db2.gz FECWOUBPAADDTH-KRWDZBQOSA-N 2 2 339.443 1.835 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3cccnc3)C2)[nH+]1 ZINC000111213019 220113206 /nfs/dbraw/zinc/11/32/06/220113206.db2.gz FECWOUBPAADDTH-KRWDZBQOSA-N 2 2 339.443 1.835 10 0 EDAELP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC000261764521 139224144 /nfs/dbraw/zinc/22/41/44/139224144.db2.gz DHPRJTZIFNUANU-VIFPVBQESA-N 2 2 336.383 1.449 10 0 EDAELP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC000261764521 139224145 /nfs/dbraw/zinc/22/41/45/139224145.db2.gz DHPRJTZIFNUANU-VIFPVBQESA-N 2 2 336.383 1.449 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NCCN2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000261798330 139227076 /nfs/dbraw/zinc/22/70/76/139227076.db2.gz VROBPMKDMSAFBA-QGZVFWFLSA-N 2 2 330.476 1.225 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NCCN2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000261798330 139227077 /nfs/dbraw/zinc/22/70/77/139227077.db2.gz VROBPMKDMSAFBA-QGZVFWFLSA-N 2 2 330.476 1.225 10 0 EDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000176300151 285271074 /nfs/dbraw/zinc/27/10/74/285271074.db2.gz LZBBTYAUZZCEGH-HNNXBMFYSA-N 2 2 326.485 1.223 10 0 EDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000176300151 285271079 /nfs/dbraw/zinc/27/10/79/285271079.db2.gz LZBBTYAUZZCEGH-HNNXBMFYSA-N 2 2 326.485 1.223 10 0 EDAELP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000176300151 285271084 /nfs/dbraw/zinc/27/10/84/285271084.db2.gz LZBBTYAUZZCEGH-HNNXBMFYSA-N 2 2 326.485 1.223 10 0 EDAELP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000176300151 285271089 /nfs/dbraw/zinc/27/10/89/285271089.db2.gz LZBBTYAUZZCEGH-HNNXBMFYSA-N 2 2 326.485 1.223 10 0 EDAELP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000172759173 274195388 /nfs/dbraw/zinc/19/53/88/274195388.db2.gz MJQAIRBCLWRFGI-LPHOPBHVSA-N 2 2 343.471 1.366 10 0 EDAELP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000172759173 274195390 /nfs/dbraw/zinc/19/53/90/274195390.db2.gz MJQAIRBCLWRFGI-LPHOPBHVSA-N 2 2 343.471 1.366 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000178300698 276381016 /nfs/dbraw/zinc/38/10/16/276381016.db2.gz RSHUFUOQRWZGME-NVXWUHKLSA-N 3 2 333.480 1.209 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000178300698 276381017 /nfs/dbraw/zinc/38/10/17/276381017.db2.gz RSHUFUOQRWZGME-NVXWUHKLSA-N 3 2 333.480 1.209 10 0 EDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172755783 289367309 /nfs/dbraw/zinc/36/73/09/289367309.db2.gz OXAZTUKGLXFLCH-ZWKOTPCHSA-N 2 2 331.460 1.092 10 0 EDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCCCO3)CC2)C1 ZINC000105845520 441291977 /nfs/dbraw/zinc/29/19/77/441291977.db2.gz QZRNBTXTSJLSPK-ZWKOTPCHSA-N 2 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CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1CC ZINC000161716201 442027428 /nfs/dbraw/zinc/02/74/28/442027428.db2.gz QYLCGLNVNFZAKH-CVEARBPZSA-N 2 2 334.464 1.405 10 0 EDAELP CCC[C@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[NH+](C)C ZINC000161732587 442028024 /nfs/dbraw/zinc/02/80/24/442028024.db2.gz OPAOSQLUTKOMRK-GDBMZVCRSA-N 2 2 329.510 1.041 10 0 EDAELP CCn1nccc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121047090 442170840 /nfs/dbraw/zinc/17/08/40/442170840.db2.gz NHXGUMYDUZVSBC-SFHVURJKSA-N 2 2 335.496 1.130 10 0 EDAELP CCn1nccc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121047090 442170846 /nfs/dbraw/zinc/17/08/46/442170846.db2.gz NHXGUMYDUZVSBC-SFHVURJKSA-N 2 2 335.496 1.130 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000177968633 442398241 /nfs/dbraw/zinc/39/82/41/442398241.db2.gz YOBOBRMZMYVIPW-RDJZCZTQSA-N 2 2 332.448 1.087 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000177968633 442398244 /nfs/dbraw/zinc/39/82/44/442398244.db2.gz YOBOBRMZMYVIPW-RDJZCZTQSA-N 2 2 332.448 1.087 10 0 EDAELP C[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173959506 231082282 /nfs/dbraw/zinc/08/22/82/231082282.db2.gz DXMVLZDMNPLQDD-GDBMZVCRSA-N 2 2 341.415 1.060 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CCS(=O)(=O)C(C)C)C2)[nH+]1 ZINC000178230650 232113489 /nfs/dbraw/zinc/11/34/89/232113489.db2.gz KQBLCLQYDRVQHZ-HNNXBMFYSA-N 2 2 325.478 1.947 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CCS(=O)(=O)C(C)C)C2)[nH+]1 ZINC000178230650 232113492 /nfs/dbraw/zinc/11/34/92/232113492.db2.gz KQBLCLQYDRVQHZ-HNNXBMFYSA-N 2 2 325.478 1.947 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000178310347 232132922 /nfs/dbraw/zinc/13/29/22/232132922.db2.gz SAGFKCCQWHTMQJ-QWHCGFSZSA-N 2 2 330.354 1.819 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000178310347 232132925 /nfs/dbraw/zinc/13/29/25/232132925.db2.gz SAGFKCCQWHTMQJ-QWHCGFSZSA-N 2 2 330.354 1.819 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000178310364 232133218 /nfs/dbraw/zinc/13/32/18/232133218.db2.gz SAGFKCCQWHTMQJ-CHWSQXEVSA-N 2 2 330.354 1.819 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000178310364 232133222 /nfs/dbraw/zinc/13/32/22/232133222.db2.gz SAGFKCCQWHTMQJ-CHWSQXEVSA-N 2 2 330.354 1.819 10 0 EDAELP CC1(C)CN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000261671070 139215995 /nfs/dbraw/zinc/21/59/95/139215995.db2.gz AEWKTRASWBVCFG-QGZVFWFLSA-N 2 2 331.460 1.718 10 0 EDAELP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261707149 139219388 /nfs/dbraw/zinc/21/93/88/139219388.db2.gz MCRXCYIGFYCGAM-DOTOQJQBSA-N 2 2 333.476 1.938 10 0 EDAELP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261707149 139219389 /nfs/dbraw/zinc/21/93/89/139219389.db2.gz MCRXCYIGFYCGAM-DOTOQJQBSA-N 2 2 333.476 1.938 10 0 EDAELP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261796189 139226751 /nfs/dbraw/zinc/22/67/51/139226751.db2.gz VJEVRCYFYXGJEH-DOMZBBRYSA-N 2 2 332.448 1.432 10 0 EDAELP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261796189 139226752 /nfs/dbraw/zinc/22/67/52/139226752.db2.gz VJEVRCYFYXGJEH-DOMZBBRYSA-N 2 2 332.448 1.432 10 0 EDAELP C[NH2+][C@@H](C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1cnn(C)c1 ZINC000262324657 139270219 /nfs/dbraw/zinc/27/02/19/139270219.db2.gz FTLVFVVOPHBLAR-OAHLLOKOSA-N 2 2 330.436 1.122 10 0 EDAELP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4C[C@H](O)C[NH2+]4)cc3)[nH+]c12 ZINC000262349695 139272259 /nfs/dbraw/zinc/27/22/59/139272259.db2.gz HFRIBIMPPSOHPW-HOTGVXAUSA-N 2 2 336.395 1.971 10 0 EDAELP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000129428576 533086524 /nfs/dbraw/zinc/08/65/24/533086524.db2.gz WNPIMNBEEGOFTD-CYBMUJFWSA-N 2 2 334.420 1.265 10 0 EDAELP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000129428576 533086533 /nfs/dbraw/zinc/08/65/33/533086533.db2.gz WNPIMNBEEGOFTD-CYBMUJFWSA-N 2 2 334.420 1.265 10 0 EDAELP CC[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1CCOC ZINC000117479817 221070253 /nfs/dbraw/zinc/07/02/53/221070253.db2.gz PWVJQPGDZWDKGG-MRXNPFEDSA-N 2 2 349.479 1.636 10 0 EDAELP CC[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1CCOC ZINC000117479817 221070257 /nfs/dbraw/zinc/07/02/57/221070257.db2.gz PWVJQPGDZWDKGG-MRXNPFEDSA-N 2 2 349.479 1.636 10 0 EDAELP COC(=O)CCCc1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)no1 ZINC000178290544 533402030 /nfs/dbraw/zinc/40/20/30/533402030.db2.gz CPYSINGFXKHDOB-AWEZNQCLSA-N 2 2 347.419 1.735 10 0 EDAELP COC(=O)CCCc1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)no1 ZINC000178290544 533402033 /nfs/dbraw/zinc/40/20/33/533402033.db2.gz CPYSINGFXKHDOB-AWEZNQCLSA-N 2 2 347.419 1.735 10 0 EDAELP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000079252739 287298877 /nfs/dbraw/zinc/29/88/77/287298877.db2.gz DHKZACXTIWQHPC-SJLPKXTDSA-N 2 2 346.475 1.405 10 0 EDAELP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000079252739 287298878 /nfs/dbraw/zinc/29/88/78/287298878.db2.gz DHKZACXTIWQHPC-SJLPKXTDSA-N 2 2 346.475 1.405 10 0 EDAELP C[C@@H](C(N)=S)[NH+]1CCN(c2cc[nH+]cc2Br)CC1 ZINC000163885124 226025425 /nfs/dbraw/zinc/02/54/25/226025425.db2.gz QSWNJHSNHHRTQG-VIFPVBQESA-N 2 2 329.267 1.641 10 0 EDAELP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000104782884 441208463 /nfs/dbraw/zinc/20/84/63/441208463.db2.gz STGVAIZTAOSFEX-SJORKVTESA-N 2 2 340.512 1.373 10 0 EDAELP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000104782884 441208467 /nfs/dbraw/zinc/20/84/67/441208467.db2.gz STGVAIZTAOSFEX-SJORKVTESA-N 2 2 340.512 1.373 10 0 EDAELP CCOC(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105861659 441293058 /nfs/dbraw/zinc/29/30/58/441293058.db2.gz DCLWKQDDMBDVAR-YJBOKZPZSA-N 2 2 334.460 1.973 10 0 EDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000105915222 441316621 /nfs/dbraw/zinc/31/66/21/441316621.db2.gz QNGCHWPFMLUHAR-LJQANCHMSA-N 2 2 332.492 1.351 10 0 EDAELP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000173826270 441847478 /nfs/dbraw/zinc/84/74/78/441847478.db2.gz BJDXRGBKEYFUST-CVEARBPZSA-N 2 2 326.485 1.080 10 0 EDAELP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000173826270 441847482 /nfs/dbraw/zinc/84/74/82/441847482.db2.gz BJDXRGBKEYFUST-CVEARBPZSA-N 2 2 326.485 1.080 10 0 EDAELP CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000174635846 441947191 /nfs/dbraw/zinc/94/71/91/441947191.db2.gz VDWGDTXZOQJUSA-GDBMZVCRSA-N 2 2 343.431 1.185 10 0 EDAELP CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1C[C@@H](C)O ZINC000174635846 441947195 /nfs/dbraw/zinc/94/71/95/441947195.db2.gz VDWGDTXZOQJUSA-GDBMZVCRSA-N 2 2 343.431 1.185 10 0 EDAELP COCC[N@@H+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@H]1C ZINC000174735534 441962410 /nfs/dbraw/zinc/96/24/10/441962410.db2.gz RBFPWQQMXSIZGG-HZPDHXFCSA-N 2 2 333.480 1.870 10 0 EDAELP COCC[N@H+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@H]1C ZINC000174735534 441962415 /nfs/dbraw/zinc/96/24/15/441962415.db2.gz RBFPWQQMXSIZGG-HZPDHXFCSA-N 2 2 333.480 1.870 10 0 EDAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000097165376 442179125 /nfs/dbraw/zinc/17/91/25/442179125.db2.gz FDSWJTJCHLSJGV-ZHALLVOQSA-N 2 2 344.503 1.971 10 0 EDAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000097165376 442179128 /nfs/dbraw/zinc/17/91/28/442179128.db2.gz FDSWJTJCHLSJGV-ZHALLVOQSA-N 2 2 344.503 1.971 10 0 EDAELP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000171038253 442302660 /nfs/dbraw/zinc/30/26/60/442302660.db2.gz ONRDDDKATUEEEW-HNNXBMFYSA-N 2 2 326.485 1.223 10 0 EDAELP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccco1 ZINC000177347197 442330731 /nfs/dbraw/zinc/33/07/31/442330731.db2.gz PVTYSMKJLNFFPV-HUUCEWRRSA-N 2 2 331.420 1.953 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)CC1 ZINC000171621001 442363830 /nfs/dbraw/zinc/36/38/30/442363830.db2.gz AWCVDPBCYZRAMB-SJORKVTESA-N 2 2 333.480 1.381 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc(C)cn3)C2)CC1 ZINC000171621001 442363832 /nfs/dbraw/zinc/36/38/32/442363832.db2.gz AWCVDPBCYZRAMB-SJORKVTESA-N 2 2 333.480 1.381 10 0 EDAELP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1COCC[NH2+]1 ZINC000638851972 451711317 /nfs/dbraw/zinc/71/13/17/451711317.db2.gz RWAKVFWLJIZATA-MSOLQXFVSA-N 2 2 331.460 1.536 10 0 EDAELP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1COCC[NH2+]1 ZINC000638851972 451711320 /nfs/dbraw/zinc/71/13/20/451711320.db2.gz RWAKVFWLJIZATA-MSOLQXFVSA-N 2 2 331.460 1.536 10 0 EDAELP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000644121212 453058954 /nfs/dbraw/zinc/05/89/54/453058954.db2.gz BIJJTYZLYMFZHO-DOMZBBRYSA-N 2 2 345.403 1.596 10 0 EDAELP CC(C)(C)n1cc(C[NH+]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000178888845 486282278 /nfs/dbraw/zinc/28/22/78/486282278.db2.gz ONEQHFVHIFREQD-INIZCTEOSA-N 2 2 333.480 1.424 10 0 EDAELP CC[C@@H](O)C[NH+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000246251815 535813485 /nfs/dbraw/zinc/81/34/85/535813485.db2.gz WWHADWCTZLEFDQ-HZPDHXFCSA-N 2 2 333.480 1.606 10 0 EDAELP COCC[NH2+][C@H](C[NH3+])c1cc(Br)c2c(c1)OCCO2 ZINC000053255663 214172278 /nfs/dbraw/zinc/17/22/78/214172278.db2.gz NXNBAQMWXPMGDK-LLVKDONJSA-N 2 2 331.210 1.456 10 0 EDAELP Cc1ncccc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121066488 138316929 /nfs/dbraw/zinc/31/69/29/138316929.db2.gz QHVIFJOBEPWBIZ-LJQANCHMSA-N 2 2 332.492 1.617 10 0 EDAELP Cc1ncccc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121066488 138316930 /nfs/dbraw/zinc/31/69/30/138316930.db2.gz QHVIFJOBEPWBIZ-LJQANCHMSA-N 2 2 332.492 1.617 10 0 EDAELP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000111614294 220170773 /nfs/dbraw/zinc/17/07/73/220170773.db2.gz NONMUQSQSCOODO-APWZRJJASA-N 2 2 345.487 1.348 10 0 EDAELP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000111614294 220170774 /nfs/dbraw/zinc/17/07/74/220170774.db2.gz NONMUQSQSCOODO-APWZRJJASA-N 2 2 345.487 1.348 10 0 EDAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ncccn3)C2)[nH+]1 ZINC000246036514 139093082 /nfs/dbraw/zinc/09/30/82/139093082.db2.gz VEXVTGVFGUXIMV-HUUCEWRRSA-N 2 2 340.431 1.941 10 0 EDAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ncccn3)C2)[nH+]1 ZINC000246036514 139093083 /nfs/dbraw/zinc/09/30/83/139093083.db2.gz VEXVTGVFGUXIMV-HUUCEWRRSA-N 2 2 340.431 1.941 10 0 EDAELP C[C@H](C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247120676 139136542 /nfs/dbraw/zinc/13/65/42/139136542.db2.gz JREJQXOHAYEHOF-IXDOHACOSA-N 2 2 347.507 1.716 10 0 EDAELP C[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000247120676 139136543 /nfs/dbraw/zinc/13/65/43/139136543.db2.gz JREJQXOHAYEHOF-IXDOHACOSA-N 2 2 347.507 1.716 10 0 EDAELP C[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000247120676 139136544 /nfs/dbraw/zinc/13/65/44/139136544.db2.gz JREJQXOHAYEHOF-IXDOHACOSA-N 2 2 347.507 1.716 10 0 EDAELP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261813305 139228282 /nfs/dbraw/zinc/22/82/82/139228282.db2.gz XBKOFZGPRUIBHF-SMDDNHRTSA-N 2 2 336.411 1.922 10 0 EDAELP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261813305 139228283 /nfs/dbraw/zinc/22/82/83/139228283.db2.gz XBKOFZGPRUIBHF-SMDDNHRTSA-N 2 2 336.411 1.922 10 0 EDAELP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[NH+](C)C ZINC000263055753 139320065 /nfs/dbraw/zinc/32/00/65/139320065.db2.gz UYLHUAMNCOQEAZ-QWHCGFSZSA-N 2 2 327.375 1.411 10 0 EDAELP CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797808 441272371 /nfs/dbraw/zinc/27/23/71/441272371.db2.gz UCAUJKMUYTVVFQ-ZIAGYGMSSA-N 2 2 334.468 1.334 10 0 EDAELP C[N@H+]([C@H](C(N)=O)c1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863341 441294270 /nfs/dbraw/zinc/29/42/70/441294270.db2.gz MFEBNWOKJMIDKS-SFHVURJKSA-N 2 2 341.459 1.506 10 0 EDAELP C[N@@H+]([C@H](C(N)=O)c1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863341 441294272 /nfs/dbraw/zinc/29/42/72/441294272.db2.gz MFEBNWOKJMIDKS-SFHVURJKSA-N 2 2 341.459 1.506 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000172220286 442425273 /nfs/dbraw/zinc/42/52/73/442425273.db2.gz FPMVNENFHDIYAS-HNNXBMFYSA-N 2 2 344.459 1.914 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000172220286 442425275 /nfs/dbraw/zinc/42/52/75/442425275.db2.gz FPMVNENFHDIYAS-HNNXBMFYSA-N 2 2 344.459 1.914 10 0 EDAELP C[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+]1CCOCC1 ZINC000172541624 442485357 /nfs/dbraw/zinc/48/53/57/442485357.db2.gz JLJZTNKCAPCWDL-INIZCTEOSA-N 2 2 338.496 1.367 10 0 EDAELP C[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1CCOCC1 ZINC000172541624 442485359 /nfs/dbraw/zinc/48/53/59/442485359.db2.gz JLJZTNKCAPCWDL-INIZCTEOSA-N 2 2 338.496 1.367 10 0 EDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000181834371 442718693 /nfs/dbraw/zinc/71/86/93/442718693.db2.gz XJIVVOZARYIDKR-HNNXBMFYSA-N 2 2 337.468 1.137 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCCc3c2cnn3C)nc[nH+]1 ZINC000246395296 442778553 /nfs/dbraw/zinc/77/85/53/442778553.db2.gz LFFDGZQPZNUKJE-ZFWWWQNUSA-N 2 2 341.463 1.888 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000247400403 442852026 /nfs/dbraw/zinc/85/20/26/442852026.db2.gz YICMHFCCRAHTAT-ZACQAIPSSA-N 2 2 337.464 1.639 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000247400403 442852029 /nfs/dbraw/zinc/85/20/29/442852029.db2.gz YICMHFCCRAHTAT-ZACQAIPSSA-N 2 2 337.464 1.639 10 0 EDAELP CC(C)[C@@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248218008 442885902 /nfs/dbraw/zinc/88/59/02/442885902.db2.gz HBOOAKIBACQEGS-AIANPOQGSA-N 2 2 334.464 1.448 10 0 EDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCC2CCC2)C1 ZINC000195293190 443005675 /nfs/dbraw/zinc/00/56/75/443005675.db2.gz BWNZEFJSYZFRRI-SFHVURJKSA-N 2 2 330.476 1.752 10 0 EDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCC2CCC2)C1 ZINC000195293190 443005680 /nfs/dbraw/zinc/00/56/80/443005680.db2.gz BWNZEFJSYZFRRI-SFHVURJKSA-N 2 2 330.476 1.752 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000195293190 443005683 /nfs/dbraw/zinc/00/56/83/443005683.db2.gz BWNZEFJSYZFRRI-SFHVURJKSA-N 2 2 330.476 1.752 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000195293190 443005689 /nfs/dbraw/zinc/00/56/89/443005689.db2.gz BWNZEFJSYZFRRI-SFHVURJKSA-N 2 2 330.476 1.752 10 0 EDAELP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280554 443004661 /nfs/dbraw/zinc/00/46/61/443004661.db2.gz NSQDNFQOYJDKEU-GOSISDBHSA-N 2 2 330.476 1.704 10 0 EDAELP CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280554 443004666 /nfs/dbraw/zinc/00/46/66/443004666.db2.gz NSQDNFQOYJDKEU-GOSISDBHSA-N 2 2 330.476 1.704 10 0 EDAELP CN(CC1CC1)C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195280554 443004670 /nfs/dbraw/zinc/00/46/70/443004670.db2.gz NSQDNFQOYJDKEU-GOSISDBHSA-N 2 2 330.476 1.704 10 0 EDAELP CN(CC1CC1)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195280554 443004674 /nfs/dbraw/zinc/00/46/74/443004674.db2.gz NSQDNFQOYJDKEU-GOSISDBHSA-N 2 2 330.476 1.704 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nnnn2C2CC2)nc[nH+]1 ZINC000190605607 443147463 /nfs/dbraw/zinc/14/74/63/443147463.db2.gz BYOWEEDDNHFDRR-AAEUAGOBSA-N 2 2 343.439 1.159 10 0 EDAELP Cc1cc(N2CCC[C@@H]([N@H+](C)Cc3nccc(N)n3)CC2)nc[nH+]1 ZINC000328626240 444400296 /nfs/dbraw/zinc/40/02/96/444400296.db2.gz DXIHHCCMFBIUFD-CQSZACIVSA-N 2 2 327.436 1.648 10 0 EDAELP Cc1cc(N2CCC[C@@H]([N@@H+](C)Cc3nccc(N)n3)CC2)nc[nH+]1 ZINC000328626240 444400300 /nfs/dbraw/zinc/40/03/00/444400300.db2.gz DXIHHCCMFBIUFD-CQSZACIVSA-N 2 2 327.436 1.648 10 0 EDAELP Cc1csc(=O)n1CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589818 534773125 /nfs/dbraw/zinc/77/31/25/534773125.db2.gz MWWQWHHMIJNLQT-UHFFFAOYSA-N 2 2 349.504 1.511 10 0 EDAELP Cc1csc(=O)n1CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589818 534773131 /nfs/dbraw/zinc/77/31/31/534773131.db2.gz MWWQWHHMIJNLQT-UHFFFAOYSA-N 2 2 349.504 1.511 10 0 EDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)C1 ZINC000249132318 535215964 /nfs/dbraw/zinc/21/59/64/535215964.db2.gz UZUOMZGIATWJSN-KURKYZTESA-N 2 2 325.497 1.281 10 0 EDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)C1 ZINC000249132318 535215969 /nfs/dbraw/zinc/21/59/69/535215969.db2.gz UZUOMZGIATWJSN-KURKYZTESA-N 2 2 325.497 1.281 10 0 EDAELP C[NH+](C)CCN1C[C@]2(CCCN(c3cc[nH+]cc3F)C2)CCC1=O ZINC000072429984 216221991 /nfs/dbraw/zinc/22/19/91/216221991.db2.gz OUTAOLUWRKQKMC-GOSISDBHSA-N 2 2 334.439 1.991 10 0 EDAELP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n(C)n1 ZINC000195515857 139019030 /nfs/dbraw/zinc/01/90/30/139019030.db2.gz FPHUKZMUUHAIPR-CQSZACIVSA-N 2 2 328.420 1.496 10 0 EDAELP Cc1cc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n(C)n1 ZINC000195515857 139019031 /nfs/dbraw/zinc/01/90/31/139019031.db2.gz FPHUKZMUUHAIPR-CQSZACIVSA-N 2 2 328.420 1.496 10 0 EDAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000237011086 139038030 /nfs/dbraw/zinc/03/80/30/139038030.db2.gz RAMIXWXEXIEBHJ-CZUORRHYSA-N 2 2 332.448 1.386 10 0 EDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111493097 220161982 /nfs/dbraw/zinc/16/19/82/220161982.db2.gz VYLLYVGLSIZJFV-INIZCTEOSA-N 2 2 326.485 1.272 10 0 EDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111493097 220161986 /nfs/dbraw/zinc/16/19/86/220161986.db2.gz VYLLYVGLSIZJFV-INIZCTEOSA-N 2 2 326.485 1.272 10 0 EDAELP C[C@H](O)C[N@@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@H]1C ZINC000246067713 139093650 /nfs/dbraw/zinc/09/36/50/139093650.db2.gz DTYLDCILTRFLHY-XHSDSOJGSA-N 2 2 333.480 1.604 10 0 EDAELP C[C@H](O)C[N@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@H]1C ZINC000246067713 139093651 /nfs/dbraw/zinc/09/36/51/139093651.db2.gz DTYLDCILTRFLHY-XHSDSOJGSA-N 2 2 333.480 1.604 10 0 EDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C1 ZINC000248548734 139167090 /nfs/dbraw/zinc/16/70/90/139167090.db2.gz GWQVNWYSTUVSSY-QZTJIDSGSA-N 2 2 339.524 1.671 10 0 EDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C1 ZINC000248548734 139167091 /nfs/dbraw/zinc/16/70/91/139167091.db2.gz GWQVNWYSTUVSSY-QZTJIDSGSA-N 2 2 339.524 1.671 10 0 EDAELP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000261652463 139214680 /nfs/dbraw/zinc/21/46/80/139214680.db2.gz DKYBJEVYWUOVNI-MRXNPFEDSA-N 2 2 327.432 1.025 10 0 EDAELP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000261652463 139214681 /nfs/dbraw/zinc/21/46/81/139214681.db2.gz DKYBJEVYWUOVNI-MRXNPFEDSA-N 2 2 327.432 1.025 10 0 EDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000153814017 224161545 /nfs/dbraw/zinc/16/15/45/224161545.db2.gz JUFLXVFDKLPLGT-UHFFFAOYSA-N 2 2 333.524 1.886 10 0 EDAELP Cc1cnn(CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000118068055 221111884 /nfs/dbraw/zinc/11/18/84/221111884.db2.gz RFHSVORGFMYHJR-UHFFFAOYSA-N 2 2 348.495 1.049 10 0 EDAELP CO[C@H]1C[C@@H](C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)[N@H+](C)C1 ZINC000345176620 143061420 /nfs/dbraw/zinc/06/14/20/143061420.db2.gz ZTDYZBJZNNCMIZ-HOTGVXAUSA-N 2 2 332.448 1.194 10 0 EDAELP CO[C@H]1C[C@@H](C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)[N@@H+](C)C1 ZINC000345176620 143061421 /nfs/dbraw/zinc/06/14/21/143061421.db2.gz ZTDYZBJZNNCMIZ-HOTGVXAUSA-N 2 2 332.448 1.194 10 0 EDAELP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@H]1CSCC[NH2+]1 ZINC000164670703 226092085 /nfs/dbraw/zinc/09/20/85/226092085.db2.gz IZIVLCCDHPSSGP-SNVBAGLBSA-N 2 2 347.282 1.095 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000123874648 287391912 /nfs/dbraw/zinc/39/19/12/287391912.db2.gz SYFKWJBSQIUXPW-IAGOWNOFSA-N 2 2 340.512 1.374 10 0 EDAELP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000123874648 287391915 /nfs/dbraw/zinc/39/19/15/287391915.db2.gz SYFKWJBSQIUXPW-IAGOWNOFSA-N 2 2 340.512 1.374 10 0 EDAELP Cn1cc([C@H]2CCCN2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000179307204 282050780 /nfs/dbraw/zinc/05/07/80/282050780.db2.gz ACIXNGNIMVEIES-QGZVFWFLSA-N 2 2 348.495 1.293 10 0 EDAELP Cc1cccnc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000180477743 442609268 /nfs/dbraw/zinc/60/92/68/442609268.db2.gz GBFGGBUAJIBAIN-SFHVURJKSA-N 2 2 332.492 1.617 10 0 EDAELP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248657605 442914264 /nfs/dbraw/zinc/91/42/64/442914264.db2.gz SNGPRQQPZAKYIX-OALUTQOASA-N 2 2 335.492 1.869 10 0 EDAELP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248657605 442914267 /nfs/dbraw/zinc/91/42/67/442914267.db2.gz SNGPRQQPZAKYIX-OALUTQOASA-N 2 2 335.492 1.869 10 0 EDAELP CC(C)COC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248657605 442914270 /nfs/dbraw/zinc/91/42/70/442914270.db2.gz SNGPRQQPZAKYIX-OALUTQOASA-N 2 2 335.492 1.869 10 0 EDAELP CC(C)COC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248657605 442914274 /nfs/dbraw/zinc/91/42/74/442914274.db2.gz SNGPRQQPZAKYIX-OALUTQOASA-N 2 2 335.492 1.869 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nnnn2C2CC2)nc[nH+]1 ZINC000190605664 443147021 /nfs/dbraw/zinc/14/70/21/443147021.db2.gz BYOWEEDDNHFDRR-DGCLKSJQSA-N 2 2 343.439 1.159 10 0 EDAELP C[N@H+](CCc1nnc(N)s1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328639919 444408481 /nfs/dbraw/zinc/40/84/81/444408481.db2.gz PVAKFJQZGNNKRW-ZFWWWQNUSA-N 2 2 332.477 1.683 10 0 EDAELP C[N@@H+](CCc1nnc(N)s1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328639919 444408483 /nfs/dbraw/zinc/40/84/83/444408483.db2.gz PVAKFJQZGNNKRW-ZFWWWQNUSA-N 2 2 332.477 1.683 10 0 EDAELP C[NH+](CCc1nnc(N)s1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328639919 444408486 /nfs/dbraw/zinc/40/84/86/444408486.db2.gz PVAKFJQZGNNKRW-ZFWWWQNUSA-N 2 2 332.477 1.683 10 0 EDAELP C[NH+](CCc1nnc(N)s1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328639919 444408489 /nfs/dbraw/zinc/40/84/89/444408489.db2.gz PVAKFJQZGNNKRW-ZFWWWQNUSA-N 2 2 332.477 1.683 10 0 EDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000132485866 529087291 /nfs/dbraw/zinc/08/72/91/529087291.db2.gz MNLUAMSVHYKKIO-AEFFLSMTSA-N 2 2 345.491 1.638 10 0 EDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000132485866 529087295 /nfs/dbraw/zinc/08/72/95/529087295.db2.gz MNLUAMSVHYKKIO-AEFFLSMTSA-N 2 2 345.491 1.638 10 0 EDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3cnccn3)CC2)C1 ZINC000248627531 535214536 /nfs/dbraw/zinc/21/45/36/535214536.db2.gz QEEOENFIEGKGQS-SJORKVTESA-N 2 2 333.480 1.264 10 0 EDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3cnccn3)CC2)C1 ZINC000248627531 535214543 /nfs/dbraw/zinc/21/45/43/535214543.db2.gz QEEOENFIEGKGQS-SJORKVTESA-N 2 2 333.480 1.264 10 0 EDAELP C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000896741090 591598698 /nfs/dbraw/zinc/59/86/98/591598698.db2.gz JDOXVCVZGFLNBC-KBXCAEBGSA-N 2 2 340.427 1.770 10 0 EDAELP C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000111452891 220156343 /nfs/dbraw/zinc/15/63/43/220156343.db2.gz GKMBKRPBHQNUPD-DLBZAZTESA-N 2 2 348.491 1.527 10 0 EDAELP C[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000111452891 220156346 /nfs/dbraw/zinc/15/63/46/220156346.db2.gz GKMBKRPBHQNUPD-DLBZAZTESA-N 2 2 348.491 1.527 10 0 EDAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245609142 139080795 /nfs/dbraw/zinc/08/07/95/139080795.db2.gz ALZOVUNHMKVTFS-WBVHZDCISA-N 2 2 334.464 1.137 10 0 EDAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245609142 139080796 /nfs/dbraw/zinc/08/07/96/139080796.db2.gz ALZOVUNHMKVTFS-WBVHZDCISA-N 2 2 334.464 1.137 10 0 EDAELP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000245609142 139080797 /nfs/dbraw/zinc/08/07/97/139080797.db2.gz ALZOVUNHMKVTFS-WBVHZDCISA-N 2 2 334.464 1.137 10 0 EDAELP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000245609142 139080798 /nfs/dbraw/zinc/08/07/98/139080798.db2.gz ALZOVUNHMKVTFS-WBVHZDCISA-N 2 2 334.464 1.137 10 0 EDAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000245692429 139083373 /nfs/dbraw/zinc/08/33/73/139083373.db2.gz WHZXVCMOIYJWCN-QZTJIDSGSA-N 2 2 331.460 1.349 10 0 EDAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000245692429 139083374 /nfs/dbraw/zinc/08/33/74/139083374.db2.gz WHZXVCMOIYJWCN-QZTJIDSGSA-N 2 2 331.460 1.349 10 0 EDAELP CC[C@H](O)C[NH+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000246251808 139101100 /nfs/dbraw/zinc/10/11/00/139101100.db2.gz WWHADWCTZLEFDQ-CVEARBPZSA-N 2 2 333.480 1.606 10 0 EDAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000246488413 139110475 /nfs/dbraw/zinc/11/04/75/139110475.db2.gz SECFDGSIUMKADF-JKSUJKDBSA-N 2 2 338.427 1.058 10 0 EDAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000246488413 139110476 /nfs/dbraw/zinc/11/04/76/139110476.db2.gz SECFDGSIUMKADF-JKSUJKDBSA-N 2 2 338.427 1.058 10 0 EDAELP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261794183 139226573 /nfs/dbraw/zinc/22/65/73/139226573.db2.gz VHAWBNXZSWVEHY-YGRLFVJLSA-N 2 2 331.420 1.242 10 0 EDAELP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261794183 139226574 /nfs/dbraw/zinc/22/65/74/139226574.db2.gz VHAWBNXZSWVEHY-YGRLFVJLSA-N 2 2 331.420 1.242 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000117274431 221039827 /nfs/dbraw/zinc/03/98/27/221039827.db2.gz HKYJFCZRMBTANG-SJLPKXTDSA-N 2 2 333.476 1.859 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000117274431 221039830 /nfs/dbraw/zinc/03/98/30/221039830.db2.gz HKYJFCZRMBTANG-SJLPKXTDSA-N 2 2 333.476 1.859 10 0 EDAELP COCOc1ccc(OC)cc1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000164103973 226044486 /nfs/dbraw/zinc/04/44/86/226044486.db2.gz BVYRPLTVAJBGLK-INIZCTEOSA-N 2 2 338.448 1.614 10 0 EDAELP [NH3+][C@H](Cc1ccc(Br)cc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000168547574 226217516 /nfs/dbraw/zinc/21/75/16/226217516.db2.gz SBZIJFMIXFHPSI-KGLIPLIRSA-N 2 2 344.684 1.972 10 0 EDAELP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000104784601 441207929 /nfs/dbraw/zinc/20/79/29/441207929.db2.gz SZXYMXDXVRYSOM-SFHVURJKSA-N 2 2 348.491 1.658 10 0 EDAELP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000104784601 441207931 /nfs/dbraw/zinc/20/79/31/441207931.db2.gz SZXYMXDXVRYSOM-SFHVURJKSA-N 2 2 348.491 1.658 10 0 EDAELP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000176544802 442232760 /nfs/dbraw/zinc/23/27/60/442232760.db2.gz MBLQLIFORGKOGF-HNNXBMFYSA-N 2 2 339.505 1.920 10 0 EDAELP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000176544802 442232763 /nfs/dbraw/zinc/23/27/63/442232763.db2.gz MBLQLIFORGKOGF-HNNXBMFYSA-N 2 2 339.505 1.920 10 0 EDAELP Cc1ccc([C@H](CNC(=O)NCC[NH+](C)C)[NH+]2CCOCC2)s1 ZINC000133813663 442435075 /nfs/dbraw/zinc/43/50/75/442435075.db2.gz HBDNCXQXMYQLEX-AWEZNQCLSA-N 2 2 340.493 1.291 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nccnc2C)nc[nH+]1 ZINC000188181662 442721116 /nfs/dbraw/zinc/72/11/16/442721116.db2.gz LDBXLZQXIPRHTC-UONOGXRCSA-N 2 2 327.436 1.936 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000195260152 443002149 /nfs/dbraw/zinc/00/21/49/443002149.db2.gz ZGQPDLLRGVQJQU-AWEZNQCLSA-N 2 2 336.505 1.826 10 0 EDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000195260152 443002153 /nfs/dbraw/zinc/00/21/53/443002153.db2.gz ZGQPDLLRGVQJQU-AWEZNQCLSA-N 2 2 336.505 1.826 10 0 EDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC000195260152 443002156 /nfs/dbraw/zinc/00/21/56/443002156.db2.gz ZGQPDLLRGVQJQU-AWEZNQCLSA-N 2 2 336.505 1.826 10 0 EDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC000195260152 443002160 /nfs/dbraw/zinc/00/21/60/443002160.db2.gz ZGQPDLLRGVQJQU-AWEZNQCLSA-N 2 2 336.505 1.826 10 0 EDAELP C[C@H]1C[N@H+](CCN2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCO1 ZINC000191482681 443300703 /nfs/dbraw/zinc/30/07/03/443300703.db2.gz VSDUTLZAGUBQEM-HKUYNNGSSA-N 2 2 333.476 1.058 10 0 EDAELP C[C@H]1C[N@@H+](CCN2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCO1 ZINC000191482681 443300706 /nfs/dbraw/zinc/30/07/06/443300706.db2.gz VSDUTLZAGUBQEM-HKUYNNGSSA-N 2 2 333.476 1.058 10 0 EDAELP Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CCO1 ZINC000583615968 448440511 /nfs/dbraw/zinc/44/05/11/448440511.db2.gz YNKSJCRFXNUTOV-CZUORRHYSA-N 2 2 325.372 1.718 10 0 EDAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171899030 534686914 /nfs/dbraw/zinc/68/69/14/534686914.db2.gz IMZQRHRUPZHEKK-HNNXBMFYSA-N 2 2 327.432 1.834 10 0 EDAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171899030 534686918 /nfs/dbraw/zinc/68/69/18/534686918.db2.gz IMZQRHRUPZHEKK-HNNXBMFYSA-N 2 2 327.432 1.834 10 0 EDAELP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000105281313 138301164 /nfs/dbraw/zinc/30/11/64/138301164.db2.gz LWNXIONYBHFAHD-KRWDZBQOSA-N 2 2 340.512 1.471 10 0 EDAELP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000105281313 138301165 /nfs/dbraw/zinc/30/11/65/138301165.db2.gz LWNXIONYBHFAHD-KRWDZBQOSA-N 2 2 340.512 1.471 10 0 EDAELP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000105281313 138301166 /nfs/dbraw/zinc/30/11/66/138301166.db2.gz LWNXIONYBHFAHD-KRWDZBQOSA-N 2 2 340.512 1.471 10 0 EDAELP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000105281313 138301167 /nfs/dbraw/zinc/30/11/67/138301167.db2.gz LWNXIONYBHFAHD-KRWDZBQOSA-N 2 2 340.512 1.471 10 0 EDAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515819 139018897 /nfs/dbraw/zinc/01/88/97/139018897.db2.gz MFMPUVUHNMDJLX-CQSZACIVSA-N 2 2 333.436 1.441 10 0 EDAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515819 139018898 /nfs/dbraw/zinc/01/88/98/139018898.db2.gz MFMPUVUHNMDJLX-CQSZACIVSA-N 2 2 333.436 1.441 10 0 EDAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515853 139018912 /nfs/dbraw/zinc/01/89/12/139018912.db2.gz XYQVEOVFYXGGRW-QWHCGFSZSA-N 2 2 331.420 1.192 10 0 EDAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515853 139018913 /nfs/dbraw/zinc/01/89/13/139018913.db2.gz XYQVEOVFYXGGRW-QWHCGFSZSA-N 2 2 331.420 1.192 10 0 EDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C ZINC000246599467 139114581 /nfs/dbraw/zinc/11/45/81/139114581.db2.gz BGTICUPDKOJXGL-SOLBZPMBSA-N 2 2 333.476 1.073 10 0 EDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C ZINC000246599467 139114582 /nfs/dbraw/zinc/11/45/82/139114582.db2.gz BGTICUPDKOJXGL-SOLBZPMBSA-N 2 2 333.476 1.073 10 0 EDAELP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246710583 139118361 /nfs/dbraw/zinc/11/83/61/139118361.db2.gz WUUDHZVCYGRPPC-NZSAHSFTSA-N 2 2 345.487 1.863 10 0 EDAELP CC[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000246989230 139130038 /nfs/dbraw/zinc/13/00/38/139130038.db2.gz GALCRBLKAIKIDP-ROUUACIJSA-N 2 2 333.476 1.859 10 0 EDAELP CC[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CCOC ZINC000246989230 139130039 /nfs/dbraw/zinc/13/00/39/139130039.db2.gz GALCRBLKAIKIDP-ROUUACIJSA-N 2 2 333.476 1.859 10 0 EDAELP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261794176 139226563 /nfs/dbraw/zinc/22/65/63/139226563.db2.gz VHAWBNXZSWVEHY-HZMBPMFUSA-N 2 2 331.420 1.242 10 0 EDAELP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261794176 139226564 /nfs/dbraw/zinc/22/65/64/139226564.db2.gz VHAWBNXZSWVEHY-HZMBPMFUSA-N 2 2 331.420 1.242 10 0 EDAELP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000262558030 139286551 /nfs/dbraw/zinc/28/65/51/139286551.db2.gz PYRIQNQWLQMSJB-HNNXBMFYSA-N 2 2 331.460 1.585 10 0 EDAELP CN1CC[NH2+]C[C@H]1c1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000263280338 139332875 /nfs/dbraw/zinc/33/28/75/139332875.db2.gz UDFSRQABZQCINQ-JKSUJKDBSA-N 2 2 343.431 1.219 10 0 EDAELP CN1CC[NH2+]C[C@H]1c1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000263280338 139332876 /nfs/dbraw/zinc/33/28/76/139332876.db2.gz UDFSRQABZQCINQ-JKSUJKDBSA-N 2 2 343.431 1.219 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)NCCCNc2cccc[nH+]2)C[C@@H]1C ZINC000117479790 221070006 /nfs/dbraw/zinc/07/00/06/221070006.db2.gz KSJVEWQDVIDSGF-HNNXBMFYSA-N 2 2 335.452 1.246 10 0 EDAELP COCC[N@H+]1CCN(C(=O)NCCCNc2cccc[nH+]2)C[C@@H]1C ZINC000117479790 221070007 /nfs/dbraw/zinc/07/00/07/221070007.db2.gz KSJVEWQDVIDSGF-HNNXBMFYSA-N 2 2 335.452 1.246 10 0 EDAELP C[N@H+](CC(=O)NC1CCOCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000333111629 141265858 /nfs/dbraw/zinc/26/58/58/141265858.db2.gz FLMDBGRPCKMEJC-LPHOPBHVSA-N 2 2 346.475 1.301 10 0 EDAELP C[NH+](CC(=O)NC1CCOCC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000333111629 141265860 /nfs/dbraw/zinc/26/58/60/141265860.db2.gz FLMDBGRPCKMEJC-LPHOPBHVSA-N 2 2 346.475 1.301 10 0 EDAELP C[NH+](CC(=O)NC1CCOCC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000333111629 141265861 /nfs/dbraw/zinc/26/58/61/141265861.db2.gz FLMDBGRPCKMEJC-LPHOPBHVSA-N 2 2 346.475 1.301 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)N(C)C(C)C)nc[nH+]1 ZINC000175184769 277302185 /nfs/dbraw/zinc/30/21/85/277302185.db2.gz SGIXVLAPZLAEMA-KGLIPLIRSA-N 2 2 334.468 1.332 10 0 EDAELP CCC(CC)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797760 441272639 /nfs/dbraw/zinc/27/26/39/441272639.db2.gz KGDDTCVJEUWBSH-HIFRSBDPSA-N 2 2 348.495 1.770 10 0 EDAELP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000106660201 441362358 /nfs/dbraw/zinc/36/23/58/441362358.db2.gz YVRPJFVYDBODQD-IAGOWNOFSA-N 2 2 347.507 1.717 10 0 EDAELP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000106660201 441362364 /nfs/dbraw/zinc/36/23/64/441362364.db2.gz YVRPJFVYDBODQD-IAGOWNOFSA-N 2 2 347.507 1.717 10 0 EDAELP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000109327088 441495899 /nfs/dbraw/zinc/49/58/99/441495899.db2.gz PPMPZJUJGQDGPE-CQSZACIVSA-N 2 2 326.466 1.063 10 0 EDAELP CCS(=O)(=O)NCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000109327088 441495901 /nfs/dbraw/zinc/49/59/01/441495901.db2.gz PPMPZJUJGQDGPE-CQSZACIVSA-N 2 2 326.466 1.063 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000152095092 442163779 /nfs/dbraw/zinc/16/37/79/442163779.db2.gz XIUOXVARYORUSA-HZPDHXFCSA-N 2 2 326.485 1.127 10 0 EDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000152095092 442163783 /nfs/dbraw/zinc/16/37/83/442163783.db2.gz XIUOXVARYORUSA-HZPDHXFCSA-N 2 2 326.485 1.127 10 0 EDAELP C[NH+](C)C1(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CCOCC1 ZINC000132702214 442398264 /nfs/dbraw/zinc/39/82/64/442398264.db2.gz SSEAOMXFQYHGHB-AWEZNQCLSA-N 2 2 327.469 1.696 10 0 EDAELP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccnn2C)n1C ZINC000657723624 452472537 /nfs/dbraw/zinc/47/25/37/452472537.db2.gz VQPSODNMGNNISN-XJKSGUPXSA-N 2 2 332.452 1.477 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662740987 453466464 /nfs/dbraw/zinc/46/64/64/453466464.db2.gz BMHZJBGTHDXBNI-OALUTQOASA-N 2 2 344.503 1.309 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662740987 453466472 /nfs/dbraw/zinc/46/64/72/453466472.db2.gz BMHZJBGTHDXBNI-OALUTQOASA-N 2 2 344.503 1.309 10 0 EDAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662744573 453473627 /nfs/dbraw/zinc/47/36/27/453473627.db2.gz RAOBNVAJUAAXDN-ZWKOTPCHSA-N 2 2 332.492 1.292 10 0 EDAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662744573 453473629 /nfs/dbraw/zinc/47/36/29/453473629.db2.gz RAOBNVAJUAAXDN-ZWKOTPCHSA-N 2 2 332.492 1.292 10 0 EDAELP Cn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cn1 ZINC000888078243 590935739 /nfs/dbraw/zinc/93/57/39/590935739.db2.gz CKAYASLLDMITGD-PBHICJAKSA-N 2 2 338.415 1.868 10 0 EDAELP CCOc1ccc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)cc1 ZINC000040756907 213382653 /nfs/dbraw/zinc/38/26/53/213382653.db2.gz WPUVAYQVYXIGQH-UHFFFAOYSA-N 2 2 343.435 1.775 10 0 EDAELP Cc1ncccc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121066653 138316780 /nfs/dbraw/zinc/31/67/80/138316780.db2.gz QHVIFJOBEPWBIZ-IBGZPJMESA-N 2 2 332.492 1.617 10 0 EDAELP Cc1ncccc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121066653 138316781 /nfs/dbraw/zinc/31/67/81/138316781.db2.gz QHVIFJOBEPWBIZ-IBGZPJMESA-N 2 2 332.492 1.617 10 0 EDAELP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000111614299 220170310 /nfs/dbraw/zinc/17/03/10/220170310.db2.gz NONMUQSQSCOODO-LPHOPBHVSA-N 2 2 345.487 1.348 10 0 EDAELP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000111614299 220170314 /nfs/dbraw/zinc/17/03/14/220170314.db2.gz NONMUQSQSCOODO-LPHOPBHVSA-N 2 2 345.487 1.348 10 0 EDAELP O[C@@H](COC1CCOCC1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245868697 139088180 /nfs/dbraw/zinc/08/81/80/139088180.db2.gz MWEVEPFUIRDPLW-JKSUJKDBSA-N 2 2 335.448 1.372 10 0 EDAELP O[C@@H](COC1CCOCC1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245868697 139088181 /nfs/dbraw/zinc/08/81/81/139088181.db2.gz MWEVEPFUIRDPLW-JKSUJKDBSA-N 2 2 335.448 1.372 10 0 EDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246661336 139116939 /nfs/dbraw/zinc/11/69/39/139116939.db2.gz DMZZTHOYYPCSEV-OWCLPIDISA-N 2 2 332.448 1.499 10 0 EDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246661336 139116940 /nfs/dbraw/zinc/11/69/40/139116940.db2.gz DMZZTHOYYPCSEV-OWCLPIDISA-N 2 2 332.448 1.499 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000246914639 139126789 /nfs/dbraw/zinc/12/67/89/139126789.db2.gz AZLPXESOEUYPQM-IRXDYDNUSA-N 2 2 345.487 1.612 10 0 EDAELP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000246914639 139126790 /nfs/dbraw/zinc/12/67/90/139126790.db2.gz AZLPXESOEUYPQM-IRXDYDNUSA-N 2 2 345.487 1.612 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000246914639 139126791 /nfs/dbraw/zinc/12/67/91/139126791.db2.gz AZLPXESOEUYPQM-IRXDYDNUSA-N 2 2 345.487 1.612 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000246914639 139126792 /nfs/dbraw/zinc/12/67/92/139126792.db2.gz AZLPXESOEUYPQM-IRXDYDNUSA-N 2 2 345.487 1.612 10 0 EDAELP CC[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000248460076 139165074 /nfs/dbraw/zinc/16/50/74/139165074.db2.gz SCRFGSVSURNCSD-JKSUJKDBSA-N 2 2 349.479 1.370 10 0 EDAELP CC[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000248460076 139165075 /nfs/dbraw/zinc/16/50/75/139165075.db2.gz SCRFGSVSURNCSD-JKSUJKDBSA-N 2 2 349.479 1.370 10 0 EDAELP COc1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)C2CC2)cc1 ZINC000261783596 139225648 /nfs/dbraw/zinc/22/56/48/139225648.db2.gz UFBPLFMSJMALBG-RBUKOAKNSA-N 2 2 331.460 1.933 10 0 EDAELP COc1ccc([C@@H](NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)C2CC2)cc1 ZINC000261783596 139225649 /nfs/dbraw/zinc/22/56/49/139225649.db2.gz UFBPLFMSJMALBG-RBUKOAKNSA-N 2 2 331.460 1.933 10 0 EDAELP COC(=O)CCNC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189904031 533434517 /nfs/dbraw/zinc/43/45/17/533434517.db2.gz WLBRIJZTBXONIT-ZDUSSCGKSA-N 2 2 330.388 1.202 10 0 EDAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171900430 227346925 /nfs/dbraw/zinc/34/69/25/227346925.db2.gz NENSHYBHOCHMQG-INIZCTEOSA-N 2 2 329.448 1.671 10 0 EDAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171900430 227346930 /nfs/dbraw/zinc/34/69/30/227346930.db2.gz NENSHYBHOCHMQG-INIZCTEOSA-N 2 2 329.448 1.671 10 0 EDAELP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000105174531 441240638 /nfs/dbraw/zinc/24/06/38/441240638.db2.gz LFENBZRJIXAHGF-INIZCTEOSA-N 3 2 339.528 1.138 10 0 EDAELP CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000105174531 441240641 /nfs/dbraw/zinc/24/06/41/441240641.db2.gz LFENBZRJIXAHGF-INIZCTEOSA-N 3 2 339.528 1.138 10 0 EDAELP CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000105174531 441240643 /nfs/dbraw/zinc/24/06/43/441240643.db2.gz LFENBZRJIXAHGF-INIZCTEOSA-N 3 2 339.528 1.138 10 0 EDAELP CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000105174531 441240647 /nfs/dbraw/zinc/24/06/47/441240647.db2.gz LFENBZRJIXAHGF-INIZCTEOSA-N 3 2 339.528 1.138 10 0 EDAELP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104779685 441206623 /nfs/dbraw/zinc/20/66/23/441206623.db2.gz XZDJSVPZGUXVCL-GOSISDBHSA-N 2 2 348.491 1.658 10 0 EDAELP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104779685 441206626 /nfs/dbraw/zinc/20/66/26/441206626.db2.gz XZDJSVPZGUXVCL-GOSISDBHSA-N 2 2 348.491 1.658 10 0 EDAELP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104787394 441209972 /nfs/dbraw/zinc/20/99/72/441209972.db2.gz SLDASQGKNSQJKN-GOSISDBHSA-N 2 2 348.491 1.657 10 0 EDAELP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104787394 441209976 /nfs/dbraw/zinc/20/99/76/441209976.db2.gz SLDASQGKNSQJKN-GOSISDBHSA-N 2 2 348.491 1.657 10 0 EDAELP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104787394 441209979 /nfs/dbraw/zinc/20/99/79/441209979.db2.gz SLDASQGKNSQJKN-GOSISDBHSA-N 2 2 348.491 1.657 10 0 EDAELP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104787394 441209983 /nfs/dbraw/zinc/20/99/83/441209983.db2.gz SLDASQGKNSQJKN-GOSISDBHSA-N 2 2 348.491 1.657 10 0 EDAELP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000105862984 441294086 /nfs/dbraw/zinc/29/40/86/441294086.db2.gz QRCPOACMCOJVHC-UHFFFAOYSA-N 2 2 346.431 1.859 10 0 EDAELP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000105862984 441294087 /nfs/dbraw/zinc/29/40/87/441294087.db2.gz QRCPOACMCOJVHC-UHFFFAOYSA-N 2 2 346.431 1.859 10 0 EDAELP C[C@@H](C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000105874987 441303982 /nfs/dbraw/zinc/30/39/82/441303982.db2.gz JREJQXOHAYEHOF-BBWFWOEESA-N 2 2 347.507 1.716 10 0 EDAELP C[C@@H](C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000105874987 441303985 /nfs/dbraw/zinc/30/39/85/441303985.db2.gz JREJQXOHAYEHOF-BBWFWOEESA-N 2 2 347.507 1.716 10 0 EDAELP C[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000105874987 441303990 /nfs/dbraw/zinc/30/39/90/441303990.db2.gz JREJQXOHAYEHOF-BBWFWOEESA-N 2 2 347.507 1.716 10 0 EDAELP C[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000105874987 441303994 /nfs/dbraw/zinc/30/39/94/441303994.db2.gz JREJQXOHAYEHOF-BBWFWOEESA-N 2 2 347.507 1.716 10 0 EDAELP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3[C@@H](C)COC[C@@H]3C)CC2)c1 ZINC000120835338 442140185 /nfs/dbraw/zinc/14/01/85/442140185.db2.gz NNEQMDASRRMITE-ROUUACIJSA-N 2 2 345.487 1.748 10 0 EDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000184247985 443005172 /nfs/dbraw/zinc/00/51/72/443005172.db2.gz SBAUEPOFSBYZGG-SFHVURJKSA-N 2 2 333.476 1.865 10 0 EDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000184247985 443005175 /nfs/dbraw/zinc/00/51/75/443005175.db2.gz SBAUEPOFSBYZGG-SFHVURJKSA-N 2 2 333.476 1.865 10 0 EDAELP CC[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000184832666 443083457 /nfs/dbraw/zinc/08/34/57/443083457.db2.gz LMBBWAKJJXKMQB-GDBMZVCRSA-N 2 2 349.479 1.134 10 0 EDAELP CC[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@H+]1C[C@@H](C)O ZINC000184832666 443083461 /nfs/dbraw/zinc/08/34/61/443083461.db2.gz LMBBWAKJJXKMQB-GDBMZVCRSA-N 2 2 349.479 1.134 10 0 EDAELP CC1CC[NH+](CCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173791010 528238834 /nfs/dbraw/zinc/23/88/34/528238834.db2.gz KZZNSMYEMZQGMI-QGZVFWFLSA-N 2 2 338.496 1.225 10 0 EDAELP CC(C)[NH+](CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC000174360284 528881961 /nfs/dbraw/zinc/88/19/61/528881961.db2.gz ZZKQHZOOQLIPJZ-QGZVFWFLSA-N 2 2 340.512 1.611 10 0 EDAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000131815529 528994728 /nfs/dbraw/zinc/99/47/28/528994728.db2.gz GCDNIOAIULJNLT-SFHVURJKSA-N 3 2 346.475 1.524 10 0 EDAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000131815529 528994730 /nfs/dbraw/zinc/99/47/30/528994730.db2.gz GCDNIOAIULJNLT-SFHVURJKSA-N 3 2 346.475 1.524 10 0 EDAELP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246473035 534998027 /nfs/dbraw/zinc/99/80/27/534998027.db2.gz QTVHTJSNDAPFBB-IRXDYDNUSA-N 2 2 338.496 1.223 10 0 EDAELP CC(C)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246473035 534998033 /nfs/dbraw/zinc/99/80/33/534998033.db2.gz QTVHTJSNDAPFBB-IRXDYDNUSA-N 2 2 338.496 1.223 10 0 EDAELP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246801824 535171426 /nfs/dbraw/zinc/17/14/26/535171426.db2.gz BDEKJOJWKNVHAK-IAGOWNOFSA-N 2 2 338.496 1.223 10 0 EDAELP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246801824 535171432 /nfs/dbraw/zinc/17/14/32/535171432.db2.gz BDEKJOJWKNVHAK-IAGOWNOFSA-N 2 2 338.496 1.223 10 0 EDAELP CCOC(C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)OCC ZINC000124177722 535736634 /nfs/dbraw/zinc/73/66/34/535736634.db2.gz RLBZIIPOPBJRQC-QGZVFWFLSA-N 2 2 343.512 1.112 10 0 EDAELP CCOC(C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)OCC ZINC000124177722 535736639 /nfs/dbraw/zinc/73/66/39/535736639.db2.gz RLBZIIPOPBJRQC-QGZVFWFLSA-N 2 2 343.512 1.112 10 0 EDAELP O[C@@H](COCc1ccco1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000249875739 139199395 /nfs/dbraw/zinc/19/93/95/139199395.db2.gz LQJQTCVXBXPODW-HZPDHXFCSA-N 2 2 331.416 1.986 10 0 EDAELP O[C@@H](COCc1ccco1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000249875739 139199396 /nfs/dbraw/zinc/19/93/96/139199396.db2.gz LQJQTCVXBXPODW-HZPDHXFCSA-N 2 2 331.416 1.986 10 0 EDAELP C[C@@H](C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1)C1C[NH2+]C1 ZINC000262333818 139271022 /nfs/dbraw/zinc/27/10/22/139271022.db2.gz HASYDBIAPLYFNS-CYBMUJFWSA-N 2 2 349.479 1.652 10 0 EDAELP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000119536644 221343183 /nfs/dbraw/zinc/34/31/83/221343183.db2.gz UDZVCNKKXDANKM-AWEZNQCLSA-N 2 2 333.480 1.828 10 0 EDAELP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000119536644 221343185 /nfs/dbraw/zinc/34/31/85/221343185.db2.gz UDZVCNKKXDANKM-AWEZNQCLSA-N 2 2 333.480 1.828 10 0 EDAELP C[NH+](C)C1CN(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)C1 ZINC000333019627 141251038 /nfs/dbraw/zinc/25/10/38/141251038.db2.gz IEOUAJPRDUZYKS-UHFFFAOYSA-N 2 2 331.420 1.358 10 0 EDAELP C[NH+](C)C1CN(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)C1 ZINC000333019627 141251039 /nfs/dbraw/zinc/25/10/39/141251039.db2.gz IEOUAJPRDUZYKS-UHFFFAOYSA-N 2 2 331.420 1.358 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000123874876 287391785 /nfs/dbraw/zinc/39/17/85/287391785.db2.gz SYFKWJBSQIUXPW-SJORKVTESA-N 2 2 340.512 1.374 10 0 EDAELP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000123874876 287391787 /nfs/dbraw/zinc/39/17/87/287391787.db2.gz SYFKWJBSQIUXPW-SJORKVTESA-N 2 2 340.512 1.374 10 0 EDAELP [NH3+][C@H](CC[N@@H+]1CCOC[C@@H]1CO)c1ccc(Br)cc1 ZINC000168994347 226229077 /nfs/dbraw/zinc/22/90/77/226229077.db2.gz OKFDHSBPWMIBDZ-UONOGXRCSA-N 2 2 329.238 1.532 10 0 EDAELP [NH3+][C@H](CC[N@H+]1CCOC[C@@H]1CO)c1ccc(Br)cc1 ZINC000168994347 226229082 /nfs/dbraw/zinc/22/90/82/226229082.db2.gz OKFDHSBPWMIBDZ-UONOGXRCSA-N 2 2 329.238 1.532 10 0 EDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCCCO3)CC2)C1 ZINC000247227228 273015919 /nfs/dbraw/zinc/01/59/19/273015919.db2.gz QZRNBTXTSJLSPK-QZTJIDSGSA-N 2 2 325.497 1.282 10 0 EDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCCCO3)CC2)C1 ZINC000247227228 273015921 /nfs/dbraw/zinc/01/59/21/273015921.db2.gz QZRNBTXTSJLSPK-QZTJIDSGSA-N 2 2 325.497 1.282 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](c2nccn2C)C2CC2)nc[nH+]1 ZINC000183318772 277302273 /nfs/dbraw/zinc/30/22/73/277302273.db2.gz LKVWMVFGXSGEEB-WMLDXEAASA-N 2 2 341.463 1.962 10 0 EDAELP CCN(CC)C(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863393 441294872 /nfs/dbraw/zinc/29/48/72/441294872.db2.gz LZWRXRLSZSFCRZ-MRXNPFEDSA-N 2 2 335.496 1.536 10 0 EDAELP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863393 441294874 /nfs/dbraw/zinc/29/48/74/441294874.db2.gz LZWRXRLSZSFCRZ-MRXNPFEDSA-N 2 2 335.496 1.536 10 0 EDAELP COCC[N@H+](C)CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112748191 441557971 /nfs/dbraw/zinc/55/79/71/441557971.db2.gz HYGVAJGELNJZCP-UHFFFAOYSA-N 2 2 337.468 1.189 10 0 EDAELP COCC[N@@H+](C)CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112748191 441557976 /nfs/dbraw/zinc/55/79/76/441557976.db2.gz HYGVAJGELNJZCP-UHFFFAOYSA-N 2 2 337.468 1.189 10 0 EDAELP CC[C@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174600789 441943365 /nfs/dbraw/zinc/94/33/65/441943365.db2.gz XNSMNYVKQSBKDN-ZBFHGGJFSA-N 2 2 343.431 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10 0 EDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000184184495 442999837 /nfs/dbraw/zinc/99/98/37/442999837.db2.gz GLSQCWZHFPYKRI-GJZGRUSLSA-N 2 2 339.505 1.968 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nnnn2C2CC2)nc[nH+]1 ZINC000190605625 443147378 /nfs/dbraw/zinc/14/73/78/443147378.db2.gz BYOWEEDDNHFDRR-YPMHNXCESA-N 2 2 343.439 1.159 10 0 EDAELP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631843399 450813172 /nfs/dbraw/zinc/81/31/72/450813172.db2.gz NDQQUIKVMIHKGI-WDEREUQCSA-N 2 2 326.238 1.914 10 0 EDAELP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631843399 450813173 /nfs/dbraw/zinc/81/31/73/450813173.db2.gz NDQQUIKVMIHKGI-WDEREUQCSA-N 2 2 326.238 1.914 10 0 EDAELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000173897828 534093265 /nfs/dbraw/zinc/09/32/65/534093265.db2.gz QDMAMLJNMYWKBX-IAGOWNOFSA-N 2 2 338.496 1.225 10 0 EDAELP COc1cccc(/C(C)=C\C(=O)N2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)c1 ZINC000864341675 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ZINC000246476348 139109965 /nfs/dbraw/zinc/10/99/65/139109965.db2.gz RBAJPOYYXBBQLZ-INIZCTEOSA-N 2 2 348.516 1.986 10 0 EDAELP O=C(NCC[NH+]1CCc2sccc2C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246476348 139109966 /nfs/dbraw/zinc/10/99/66/139109966.db2.gz RBAJPOYYXBBQLZ-INIZCTEOSA-N 2 2 348.516 1.986 10 0 EDAELP O=C(NCC[NH+]1CCc2sccc2C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246476348 139109967 /nfs/dbraw/zinc/10/99/67/139109967.db2.gz RBAJPOYYXBBQLZ-INIZCTEOSA-N 2 2 348.516 1.986 10 0 EDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000246870401 139124981 /nfs/dbraw/zinc/12/49/81/139124981.db2.gz FBGFJIAREJPJOS-HOTGVXAUSA-N 2 2 325.416 1.966 10 0 EDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000246870401 139124982 /nfs/dbraw/zinc/12/49/82/139124982.db2.gz FBGFJIAREJPJOS-HOTGVXAUSA-N 2 2 325.416 1.966 10 0 EDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000247323424 139144948 /nfs/dbraw/zinc/14/49/48/139144948.db2.gz 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CC(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000106428550 280251607 /nfs/dbraw/zinc/25/16/07/280251607.db2.gz MXDCDKLPBDQHBW-OALUTQOASA-N 2 2 347.503 1.632 10 0 EDAELP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105103767 441234011 /nfs/dbraw/zinc/23/40/11/441234011.db2.gz QTVHTJSNDAPFBB-IAGOWNOFSA-N 2 2 338.496 1.223 10 0 EDAELP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105103767 441234014 /nfs/dbraw/zinc/23/40/14/441234014.db2.gz QTVHTJSNDAPFBB-IAGOWNOFSA-N 2 2 338.496 1.223 10 0 EDAELP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104789201 441208840 /nfs/dbraw/zinc/20/88/40/441208840.db2.gz QZHRTGOGORTJDZ-JKSUJKDBSA-N 2 2 326.485 1.128 10 0 EDAELP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104789201 441208844 /nfs/dbraw/zinc/20/88/44/441208844.db2.gz QZHRTGOGORTJDZ-JKSUJKDBSA-N 2 2 326.485 1.128 10 0 EDAELP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000104789201 441208846 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EDAELP CC[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000172231834 442427181 /nfs/dbraw/zinc/42/71/81/442427181.db2.gz CNPPDEFDFQBJSC-KRWDZBQOSA-N 2 2 341.496 1.058 10 0 EDAELP CC[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000172231834 442427183 /nfs/dbraw/zinc/42/71/83/442427183.db2.gz CNPPDEFDFQBJSC-KRWDZBQOSA-N 2 2 341.496 1.058 10 0 EDAELP CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1nccn1C ZINC000183216885 442905354 /nfs/dbraw/zinc/90/53/54/442905354.db2.gz PUDMZTMIAAIKAW-KBPBESRZSA-N 2 2 329.452 1.962 10 0 EDAELP CO[C@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@](C)(C[NH3+])C1 ZINC000630358438 451131698 /nfs/dbraw/zinc/13/16/98/451131698.db2.gz AUKMAXPDCKEWGT-FZKQIMNGSA-N 2 2 331.416 1.111 10 0 EDAELP CO[C@H]1C[N@@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@](C)(C[NH3+])C1 ZINC000630358438 451131706 /nfs/dbraw/zinc/13/17/06/451131706.db2.gz AUKMAXPDCKEWGT-FZKQIMNGSA-N 2 2 331.416 1.111 10 0 EDAELP CC[N@@H+]1CCO[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1cnn(C)c1 ZINC000664311996 452986649 /nfs/dbraw/zinc/98/66/49/452986649.db2.gz DLFJFRAFZKPUML-GJZGRUSLSA-N 2 2 341.419 1.565 10 0 EDAELP CC[N@H+]1CCO[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1cnn(C)c1 ZINC000664311996 452986657 /nfs/dbraw/zinc/98/66/57/452986657.db2.gz DLFJFRAFZKPUML-GJZGRUSLSA-N 2 2 341.419 1.565 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000662744508 453473130 /nfs/dbraw/zinc/47/31/30/453473130.db2.gz PFSGVWLFKVKRIY-GBESFXJTSA-N 2 2 344.503 1.436 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000662744508 453473136 /nfs/dbraw/zinc/47/31/36/453473136.db2.gz PFSGVWLFKVKRIY-GBESFXJTSA-N 2 2 344.503 1.436 10 0 EDAELP CC(C)CCOCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105915150 138302396 /nfs/dbraw/zinc/30/23/96/138302396.db2.gz BRXCNOJZZGGLBP-LJQANCHMSA-N 2 2 341.540 1.776 10 0 EDAELP CC(C)CCOCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915150 138302397 /nfs/dbraw/zinc/30/23/97/138302397.db2.gz BRXCNOJZZGGLBP-LJQANCHMSA-N 2 2 341.540 1.776 10 0 EDAELP O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000248345737 139160559 /nfs/dbraw/zinc/16/05/59/139160559.db2.gz NDCXWFXYJXIISK-KRWDZBQOSA-N 2 2 346.475 1.094 10 0 EDAELP O=C(CN1CC[N@H+]2CCCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000248345737 139160560 /nfs/dbraw/zinc/16/05/60/139160560.db2.gz NDCXWFXYJXIISK-KRWDZBQOSA-N 2 2 346.475 1.094 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NCCc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000261726621 139221000 /nfs/dbraw/zinc/22/10/00/139221000.db2.gz NWVJGQVFLNQEOI-OAHLLOKOSA-N 2 2 325.403 1.683 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NCCc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000261726621 139221001 /nfs/dbraw/zinc/22/10/01/139221001.db2.gz NWVJGQVFLNQEOI-OAHLLOKOSA-N 2 2 325.403 1.683 10 0 EDAELP CCc1[nH+]c2ccccc2n1Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263319122 139335675 /nfs/dbraw/zinc/33/56/75/139335675.db2.gz ZYHOXESSOUTXTQ-CQSZACIVSA-N 2 2 326.404 1.606 10 0 EDAELP COc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000122568949 222114532 /nfs/dbraw/zinc/11/45/32/222114532.db2.gz OXOITWSQVMWPDL-FQEVSTJZSA-N 2 2 347.503 1.922 10 0 EDAELP COc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000122568949 222114539 /nfs/dbraw/zinc/11/45/39/222114539.db2.gz OXOITWSQVMWPDL-FQEVSTJZSA-N 2 2 347.503 1.922 10 0 EDAELP CCC[C@@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)[NH+](C)C ZINC000122710906 222143713 /nfs/dbraw/zinc/14/37/13/222143713.db2.gz LQVGXLVCDUSPFM-KBPBESRZSA-N 2 2 334.468 1.334 10 0 EDAELP CCC[C@@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)[NH+](C)C ZINC000122710906 222143716 /nfs/dbraw/zinc/14/37/16/222143716.db2.gz LQVGXLVCDUSPFM-KBPBESRZSA-N 2 2 334.468 1.334 10 0 EDAELP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000190123065 272973699 /nfs/dbraw/zinc/97/36/99/272973699.db2.gz OGAZKKAQTVCRDS-MRXNPFEDSA-N 2 2 326.485 1.225 10 0 EDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCCCO3)CC2)C1 ZINC000247227217 273015851 /nfs/dbraw/zinc/01/58/51/273015851.db2.gz QZRNBTXTSJLSPK-MSOLQXFVSA-N 2 2 325.497 1.282 10 0 EDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCCCO3)CC2)C1 ZINC000247227217 273015852 /nfs/dbraw/zinc/01/58/52/273015852.db2.gz QZRNBTXTSJLSPK-MSOLQXFVSA-N 2 2 325.497 1.282 10 0 EDAELP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246476088 278341451 /nfs/dbraw/zinc/34/14/51/278341451.db2.gz QZHRTGOGORTJDZ-HOTGVXAUSA-N 2 2 326.485 1.128 10 0 EDAELP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246476088 278341452 /nfs/dbraw/zinc/34/14/52/278341452.db2.gz QZHRTGOGORTJDZ-HOTGVXAUSA-N 2 2 326.485 1.128 10 0 EDAELP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246476088 278341455 /nfs/dbraw/zinc/34/14/55/278341455.db2.gz QZHRTGOGORTJDZ-HOTGVXAUSA-N 2 2 326.485 1.128 10 0 EDAELP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246476088 278341457 /nfs/dbraw/zinc/34/14/57/278341457.db2.gz QZHRTGOGORTJDZ-HOTGVXAUSA-N 2 2 326.485 1.128 10 0 EDAELP C[N@H+](CCCNC(=O)NC[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000104779648 441207016 /nfs/dbraw/zinc/20/70/16/441207016.db2.gz MVUCCCKUXZWVRA-KRWDZBQOSA-N 2 2 334.464 1.138 10 0 EDAELP C[N@@H+](CCCNC(=O)NC[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000104779648 441207019 /nfs/dbraw/zinc/20/70/19/441207019.db2.gz MVUCCCKUXZWVRA-KRWDZBQOSA-N 2 2 334.464 1.138 10 0 EDAELP C[NH+](CCCNC(=O)NC[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000104779648 441207022 /nfs/dbraw/zinc/20/70/22/441207022.db2.gz MVUCCCKUXZWVRA-KRWDZBQOSA-N 2 2 334.464 1.138 10 0 EDAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000150729988 441937424 /nfs/dbraw/zinc/93/74/24/441937424.db2.gz LLGHIVRNOZHLHV-KBAYOESNSA-N 2 2 346.475 1.279 10 0 EDAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C[N@H+]1Cc1ccccc1 ZINC000150729988 441937430 /nfs/dbraw/zinc/93/74/30/441937430.db2.gz LLGHIVRNOZHLHV-KBAYOESNSA-N 2 2 346.475 1.279 10 0 EDAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000150729988 441937436 /nfs/dbraw/zinc/93/74/36/441937436.db2.gz LLGHIVRNOZHLHV-KBAYOESNSA-N 2 2 346.475 1.279 10 0 EDAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000150729988 441937440 /nfs/dbraw/zinc/93/74/40/441937440.db2.gz LLGHIVRNOZHLHV-KBAYOESNSA-N 2 2 346.475 1.279 10 0 EDAELP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000079689745 442078070 /nfs/dbraw/zinc/07/80/70/442078070.db2.gz RNHSGAWPVZKKEW-JKSUJKDBSA-N 2 2 326.485 1.128 10 0 EDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172755785 442534300 /nfs/dbraw/zinc/53/43/00/442534300.db2.gz OXAZTUKGLXFLCH-MSOLQXFVSA-N 2 2 331.460 1.092 10 0 EDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@H]1CC ZINC000192305622 442629909 /nfs/dbraw/zinc/62/99/09/442629909.db2.gz MDRNHXDGMJTBAB-MRXNPFEDSA-N 2 2 349.479 1.250 10 0 EDAELP CCOCC[N@H+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@H]1CC ZINC000192305622 442629913 /nfs/dbraw/zinc/62/99/13/442629913.db2.gz MDRNHXDGMJTBAB-MRXNPFEDSA-N 2 2 349.479 1.250 10 0 EDAELP CCC[C@H](C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1)[NH+](C)C ZINC000192798231 442687688 /nfs/dbraw/zinc/68/76/88/442687688.db2.gz ZQNDRROMQQEUSG-UPTPFMHGSA-N 2 2 341.496 1.103 10 0 EDAELP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)[C@@H]3CCCO3)CC2)c1 ZINC000183121691 442883710 /nfs/dbraw/zinc/88/37/10/442883710.db2.gz CJNVATJZLCTKMI-MJGOQNOKSA-N 2 2 345.487 1.796 10 0 EDAELP Cc1ccn2cc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C(F)(F)F)[nH+]c2c1 ZINC000299746753 444133306 /nfs/dbraw/zinc/13/33/06/444133306.db2.gz ZOMSWLWSDPDMSI-CHWSQXEVSA-N 2 2 340.349 1.999 10 0 EDAELP Cc1ccn2cc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C(F)(F)F)[nH+]c2c1 ZINC000299746753 444133310 /nfs/dbraw/zinc/13/33/10/444133310.db2.gz ZOMSWLWSDPDMSI-CHWSQXEVSA-N 2 2 340.349 1.999 10 0 EDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000638834253 451705322 /nfs/dbraw/zinc/70/53/22/451705322.db2.gz DJSHKASUKCWQSG-KBMXLJTQSA-N 2 2 337.414 1.868 10 0 EDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000638834253 451705324 /nfs/dbraw/zinc/70/53/24/451705324.db2.gz DJSHKASUKCWQSG-KBMXLJTQSA-N 2 2 337.414 1.868 10 0 EDAELP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000638851975 451710982 /nfs/dbraw/zinc/71/09/82/451710982.db2.gz RWAKVFWLJIZATA-ZWKOTPCHSA-N 2 2 331.460 1.536 10 0 EDAELP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000638851975 451710983 /nfs/dbraw/zinc/71/09/83/451710983.db2.gz RWAKVFWLJIZATA-ZWKOTPCHSA-N 2 2 331.460 1.536 10 0 EDAELP C[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000171691483 533922586 /nfs/dbraw/zinc/92/25/86/533922586.db2.gz GONTXWKGKBZXTL-HNNXBMFYSA-N 2 2 334.489 1.558 10 0 EDAELP C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000171691483 533922590 /nfs/dbraw/zinc/92/25/90/533922590.db2.gz GONTXWKGKBZXTL-HNNXBMFYSA-N 2 2 334.489 1.558 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC[C@H]1[NH3+] ZINC000261606571 535352612 /nfs/dbraw/zinc/35/26/12/535352612.db2.gz ASNCSUUBYLEVJK-XJKSGUPXSA-N 2 2 333.432 1.002 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC[C@H]1[NH3+] ZINC000261606571 535352615 /nfs/dbraw/zinc/35/26/15/535352615.db2.gz ASNCSUUBYLEVJK-XJKSGUPXSA-N 2 2 333.432 1.002 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C ZINC000246926064 535602062 /nfs/dbraw/zinc/60/20/62/535602062.db2.gz BMFVAAVKNZDQPO-MJGOQNOKSA-N 2 2 347.503 1.729 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C ZINC000246926064 535602067 /nfs/dbraw/zinc/60/20/67/535602067.db2.gz BMFVAAVKNZDQPO-MJGOQNOKSA-N 2 2 347.503 1.729 10 0 EDAELP C[NH2+][C@H](C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1cnn(C)c1 ZINC000262324656 536380910 /nfs/dbraw/zinc/38/09/10/536380910.db2.gz FTLVFVVOPHBLAR-HNNXBMFYSA-N 2 2 330.436 1.122 10 0 EDAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000066404599 138177306 /nfs/dbraw/zinc/17/73/06/138177306.db2.gz YUYPZAABEDJIBD-ROUUACIJSA-N 2 2 345.487 1.748 10 0 EDAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000079495145 217233931 /nfs/dbraw/zinc/23/39/31/217233931.db2.gz KDWUWKMZHDKLAF-SFHVURJKSA-N 2 2 347.507 1.885 10 0 EDAELP C[C@H](O)C[N@@H+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@@H]1C ZINC000246067708 139093644 /nfs/dbraw/zinc/09/36/44/139093644.db2.gz DTYLDCILTRFLHY-PMPSAXMXSA-N 2 2 333.480 1.604 10 0 EDAELP C[C@H](O)C[N@H+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@@H]1C ZINC000246067708 139093645 /nfs/dbraw/zinc/09/36/45/139093645.db2.gz DTYLDCILTRFLHY-PMPSAXMXSA-N 2 2 333.480 1.604 10 0 EDAELP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000246231847 139100273 /nfs/dbraw/zinc/10/02/73/139100273.db2.gz HWMFYXMSWPKIMP-KSZLIROESA-N 2 2 331.460 1.382 10 0 EDAELP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000246806529 139122452 /nfs/dbraw/zinc/12/24/52/139122452.db2.gz BMILGBYXBRYGPH-NXHRZFHOSA-N 2 2 331.460 1.468 10 0 EDAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000247250713 139142560 /nfs/dbraw/zinc/14/25/60/139142560.db2.gz ZRAGVJNFGKJDSM-YZGWKJHDSA-N 3 2 346.519 1.728 10 0 EDAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000247250713 139142561 /nfs/dbraw/zinc/14/25/61/139142561.db2.gz ZRAGVJNFGKJDSM-YZGWKJHDSA-N 3 2 346.519 1.728 10 0 EDAELP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)c1 ZINC000261847051 139231079 /nfs/dbraw/zinc/23/10/79/139231079.db2.gz RCMBMVOOUOHLJC-OLMNPRSZSA-N 2 2 347.459 1.407 10 0 EDAELP COc1ccccc1[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[NH+](C)C ZINC000263055749 139320034 /nfs/dbraw/zinc/32/00/34/139320034.db2.gz UYLHUAMNCOQEAZ-CHWSQXEVSA-N 2 2 327.375 1.411 10 0 EDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171618081 227177902 /nfs/dbraw/zinc/17/79/02/227177902.db2.gz VAEQGGFAPCPASH-QGZVFWFLSA-N 2 2 333.476 1.386 10 0 EDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171618081 227177909 /nfs/dbraw/zinc/17/79/09/227177909.db2.gz VAEQGGFAPCPASH-QGZVFWFLSA-N 2 2 333.476 1.386 10 0 EDAELP CC[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@@H+]1CCOC ZINC000117477763 441874135 /nfs/dbraw/zinc/87/41/35/441874135.db2.gz WMJCCANSGOBCNV-INIZCTEOSA-N 2 2 349.479 1.400 10 0 EDAELP CC[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@H+]1CCOC ZINC000117477763 441874138 /nfs/dbraw/zinc/87/41/38/441874138.db2.gz WMJCCANSGOBCNV-INIZCTEOSA-N 2 2 349.479 1.400 10 0 EDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175813479 442127802 /nfs/dbraw/zinc/12/78/02/442127802.db2.gz WXZFTYCMKDQULL-JKSUJKDBSA-N 2 2 349.479 1.401 10 0 EDAELP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000193440272 442742935 /nfs/dbraw/zinc/74/29/35/442742935.db2.gz BLHMEMASPAMZLT-INIZCTEOSA-N 2 2 338.496 1.225 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nc(COC)no2)nc[nH+]1 ZINC000183090264 318518686 /nfs/dbraw/zinc/51/86/86/318518686.db2.gz DRQUHBSACVYTJQ-NWDGAFQWSA-N 2 2 347.423 1.367 10 0 EDAELP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000245691507 443245039 /nfs/dbraw/zinc/24/50/39/443245039.db2.gz XGBDYLMTWLDMPB-NJAFHUGGSA-N 2 2 346.475 1.452 10 0 EDAELP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000245691507 443245043 /nfs/dbraw/zinc/24/50/43/443245043.db2.gz XGBDYLMTWLDMPB-NJAFHUGGSA-N 2 2 346.475 1.452 10 0 EDAELP Cn1nncc1C[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284470648 443775567 /nfs/dbraw/zinc/77/55/67/443775567.db2.gz IERMEHMWKIHQAD-SUMWQHHRSA-N 2 2 329.452 1.254 10 0 EDAELP Cn1nncc1C[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284470648 443775569 /nfs/dbraw/zinc/77/55/69/443775569.db2.gz IERMEHMWKIHQAD-SUMWQHHRSA-N 2 2 329.452 1.254 10 0 EDAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000583620970 448452311 /nfs/dbraw/zinc/45/23/11/448452311.db2.gz VDGVZAKURUIHRI-HKUYNNGSSA-N 2 2 342.443 1.541 10 0 EDAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000583620970 448452316 /nfs/dbraw/zinc/45/23/16/448452316.db2.gz VDGVZAKURUIHRI-HKUYNNGSSA-N 2 2 342.443 1.541 10 0 EDAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188703246 526665821 /nfs/dbraw/zinc/66/58/21/526665821.db2.gz HWMMXRNMJREIMN-UHFFFAOYSA-N 2 2 336.399 1.230 10 0 EDAELP CC[NH2+][C@H](Cc1ccc(Br)cn1)[C@H]1C[N@H+](C)CCN1C ZINC000167918300 528424646 /nfs/dbraw/zinc/42/46/46/528424646.db2.gz KWAKFEFCLQWMGQ-HUUCEWRRSA-N 2 2 341.297 1.611 10 0 EDAELP CC[NH2+][C@H](Cc1ccc(Br)cn1)[C@H]1C[N@@H+](C)CCN1C ZINC000167918300 528424647 /nfs/dbraw/zinc/42/46/47/528424647.db2.gz KWAKFEFCLQWMGQ-HUUCEWRRSA-N 2 2 341.297 1.611 10 0 EDAELP CCn1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H]([NH3+])C2)c2ccccc21 ZINC000864352313 596865244 /nfs/dbraw/zinc/86/52/44/596865244.db2.gz USBKFPHRZSUJHR-HZPDHXFCSA-N 2 2 337.427 1.962 10 0 EDAELP CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000725266090 539401209 /nfs/dbraw/zinc/40/12/09/539401209.db2.gz LSVBFNRMBVNYFI-CHWSQXEVSA-N 2 2 336.440 1.084 10 0 EDAELP C[N@H+](C[C@@H](O)COC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915868 138302618 /nfs/dbraw/zinc/30/26/18/138302618.db2.gz DMADTMOQWXRLJJ-QGZVFWFLSA-N 2 2 338.496 1.455 10 0 EDAELP C[N@@H+](C[C@@H](O)COC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915868 138302619 /nfs/dbraw/zinc/30/26/19/138302619.db2.gz DMADTMOQWXRLJJ-QGZVFWFLSA-N 2 2 338.496 1.455 10 0 EDAELP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000104787397 204119083 /nfs/dbraw/zinc/11/90/83/204119083.db2.gz SLDASQGKNSQJKN-SFHVURJKSA-N 2 2 348.491 1.657 10 0 EDAELP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000104787397 204119088 /nfs/dbraw/zinc/11/90/88/204119088.db2.gz SLDASQGKNSQJKN-SFHVURJKSA-N 2 2 348.491 1.657 10 0 EDAELP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104787397 204119093 /nfs/dbraw/zinc/11/90/93/204119093.db2.gz SLDASQGKNSQJKN-SFHVURJKSA-N 2 2 348.491 1.657 10 0 EDAELP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104787397 204119095 /nfs/dbraw/zinc/11/90/95/204119095.db2.gz SLDASQGKNSQJKN-SFHVURJKSA-N 2 2 348.491 1.657 10 0 EDAELP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000105083282 204132763 /nfs/dbraw/zinc/13/27/63/204132763.db2.gz CRWWXNVPYXSAFA-QZTJIDSGSA-N 2 2 348.491 1.482 10 0 EDAELP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000105083282 204132764 /nfs/dbraw/zinc/13/27/64/204132764.db2.gz CRWWXNVPYXSAFA-QZTJIDSGSA-N 2 2 348.491 1.482 10 0 EDAELP O[C@H](C[NH2+]CC[NH+]1CCCC1)COc1cccc(Br)c1 ZINC000048298991 204345197 /nfs/dbraw/zinc/34/51/97/204345197.db2.gz CHYDITXLACJYQH-CQSZACIVSA-N 2 2 343.265 1.874 10 0 EDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000111229477 204343131 /nfs/dbraw/zinc/34/31/31/204343131.db2.gz MAASGXSKEFSPDZ-INIZCTEOSA-N 2 2 327.432 1.794 10 0 EDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000111229477 204343135 /nfs/dbraw/zinc/34/31/35/204343135.db2.gz MAASGXSKEFSPDZ-INIZCTEOSA-N 2 2 327.432 1.794 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000195516087 139018851 /nfs/dbraw/zinc/01/88/51/139018851.db2.gz VUOLKABKHVQLAP-LBPRGKRZSA-N 2 2 330.354 1.802 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000195516087 139018852 /nfs/dbraw/zinc/01/88/52/139018852.db2.gz VUOLKABKHVQLAP-LBPRGKRZSA-N 2 2 330.354 1.802 10 0 EDAELP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCO1 ZINC000117030439 204554439 /nfs/dbraw/zinc/55/44/39/204554439.db2.gz HYGCNGFCARREHW-MRXNPFEDSA-N 2 2 347.463 1.154 10 0 EDAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515841 139019060 /nfs/dbraw/zinc/01/90/60/139019060.db2.gz KXOIDVZHXXYGOJ-ZIAGYGMSSA-N 2 2 333.436 1.438 10 0 EDAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515841 139019061 /nfs/dbraw/zinc/01/90/61/139019061.db2.gz KXOIDVZHXXYGOJ-ZIAGYGMSSA-N 2 2 333.436 1.438 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)CC1 ZINC000195517824 139019120 /nfs/dbraw/zinc/01/91/20/139019120.db2.gz IWHMWTRBOXJYCE-GDBMZVCRSA-N 2 2 349.479 1.185 10 0 EDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)CC1 ZINC000195517824 139019121 /nfs/dbraw/zinc/01/91/21/139019121.db2.gz IWHMWTRBOXJYCE-GDBMZVCRSA-N 2 2 349.479 1.185 10 0 EDAELP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c[nH+]2)C[C@@H](C)O1 ZINC000237441732 139051243 /nfs/dbraw/zinc/05/12/43/139051243.db2.gz FKUYMIQBCHTIMO-RRCSTGOVSA-N 2 2 332.448 1.439 10 0 EDAELP Cc1cc2[nH+]cn(C[C@@H](O)CN3CC[N@@H+]4CCC[C@H]4C3)c2cc1C ZINC000247165390 139138429 /nfs/dbraw/zinc/13/84/29/139138429.db2.gz MPFORRJCECHJDA-IRXDYDNUSA-N 2 2 328.460 1.794 10 0 EDAELP Cc1cc2[nH+]cn(C[C@@H](O)CN3CC[N@H+]4CCC[C@H]4C3)c2cc1C ZINC000247165390 139138430 /nfs/dbraw/zinc/13/84/30/139138430.db2.gz MPFORRJCECHJDA-IRXDYDNUSA-N 2 2 328.460 1.794 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000247201532 139140299 /nfs/dbraw/zinc/14/02/99/139140299.db2.gz TXLOFZCNVMTWCO-PKOBYXMFSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000247201532 139140300 /nfs/dbraw/zinc/14/03/00/139140300.db2.gz TXLOFZCNVMTWCO-PKOBYXMFSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000247201532 139140301 /nfs/dbraw/zinc/14/03/01/139140301.db2.gz TXLOFZCNVMTWCO-PKOBYXMFSA-N 2 2 345.487 1.830 10 0 EDAELP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000247201532 139140302 /nfs/dbraw/zinc/14/03/02/139140302.db2.gz TXLOFZCNVMTWCO-PKOBYXMFSA-N 2 2 345.487 1.830 10 0 EDAELP C[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000248873873 139178624 /nfs/dbraw/zinc/17/86/24/139178624.db2.gz PUXNXEYJYWSGKG-RLFYNMQTSA-N 2 2 348.466 1.593 10 0 EDAELP C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000249615900 139196594 /nfs/dbraw/zinc/19/65/94/139196594.db2.gz PHXIDHDNXXGPEX-HVVXOQGOSA-N 2 2 335.492 1.571 10 0 EDAELP C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000249615900 139196595 /nfs/dbraw/zinc/19/65/95/139196595.db2.gz PHXIDHDNXXGPEX-HVVXOQGOSA-N 2 2 335.492 1.571 10 0 EDAELP C[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177230382 207309643 /nfs/dbraw/zinc/30/96/43/207309643.db2.gz KJWAJXFGPJFIPF-YJBOKZPZSA-N 2 2 346.475 1.933 10 0 EDAELP C[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177230362 207311016 /nfs/dbraw/zinc/31/10/16/207311016.db2.gz KJWAJXFGPJFIPF-QAPCUYQASA-N 2 2 346.475 1.933 10 0 EDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153005003 224044239 /nfs/dbraw/zinc/04/42/39/224044239.db2.gz VSINVCVWLVDMSE-QZTJIDSGSA-N 2 2 338.455 1.949 10 0 EDAELP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000333052014 141255750 /nfs/dbraw/zinc/25/57/50/141255750.db2.gz LKVBXFJXCTVYBC-OAHLLOKOSA-N 2 2 327.432 1.660 10 0 EDAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173854348 278971189 /nfs/dbraw/zinc/97/11/89/278971189.db2.gz RXOLCLHUWRCFPD-HOTGVXAUSA-N 2 2 326.485 1.079 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000245974215 279173984 /nfs/dbraw/zinc/17/39/84/279173984.db2.gz WMSFRZWNVKMXMX-DGCLKSJQSA-N 2 2 330.440 1.250 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000245974215 279173986 /nfs/dbraw/zinc/17/39/86/279173986.db2.gz WMSFRZWNVKMXMX-DGCLKSJQSA-N 2 2 330.440 1.250 10 0 EDAELP [NH3+]CC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCOCC1 ZINC000262082411 303369437 /nfs/dbraw/zinc/36/94/37/303369437.db2.gz CNEVRPWJKJYGBB-UHFFFAOYSA-N 2 2 328.416 1.303 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)NC(C)(C)C)nc[nH+]1 ZINC000105797669 441272327 /nfs/dbraw/zinc/27/23/27/441272327.db2.gz ZGMZGKIOBFHVIB-QWHCGFSZSA-N 2 2 334.468 1.380 10 0 EDAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000048216434 441273360 /nfs/dbraw/zinc/27/33/60/441273360.db2.gz UOCXSDBMVZEEMQ-WBVHZDCISA-N 2 2 334.464 1.309 10 0 EDAELP C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000106483374 441346383 /nfs/dbraw/zinc/34/63/83/441346383.db2.gz OLXXFJFZBNZPGC-HOTGVXAUSA-N 2 2 332.496 1.761 10 0 EDAELP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000111493136 441536819 /nfs/dbraw/zinc/53/68/19/441536819.db2.gz QWRHLKUVVWTJKF-RDJZCZTQSA-N 2 2 334.464 1.137 10 0 EDAELP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000111493136 441536825 /nfs/dbraw/zinc/53/68/25/441536825.db2.gz QWRHLKUVVWTJKF-RDJZCZTQSA-N 2 2 334.464 1.137 10 0 EDAELP C[C@@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000111493136 441536828 /nfs/dbraw/zinc/53/68/28/441536828.db2.gz QWRHLKUVVWTJKF-RDJZCZTQSA-N 2 2 334.464 1.137 10 0 EDAELP C[C@@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000111493136 441536831 /nfs/dbraw/zinc/53/68/31/441536831.db2.gz QWRHLKUVVWTJKF-RDJZCZTQSA-N 2 2 334.464 1.137 10 0 EDAELP C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)C[C@H]1[NH+]1CCOCC1 ZINC000175679405 442104340 /nfs/dbraw/zinc/10/43/40/442104340.db2.gz PUIYHLRJJOYLTG-JKSUJKDBSA-N 2 2 347.463 1.246 10 0 EDAELP CC[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC[N@H+]1CCOC ZINC000168071125 442223165 /nfs/dbraw/zinc/22/31/65/442223165.db2.gz YGOYLTFDAQQAOH-WMZOPIPTSA-N 2 2 331.460 1.443 10 0 EDAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ncccn3)C2)[nH+]1 ZINC000170836393 442272612 /nfs/dbraw/zinc/27/26/12/442272612.db2.gz VEXVTGVFGUXIMV-LSDHHAIUSA-N 2 2 340.431 1.941 10 0 EDAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ncccn3)C2)[nH+]1 ZINC000170836393 442272613 /nfs/dbraw/zinc/27/26/13/442272613.db2.gz VEXVTGVFGUXIMV-LSDHHAIUSA-N 2 2 340.431 1.941 10 0 EDAELP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000154647832 442350264 /nfs/dbraw/zinc/35/02/64/442350264.db2.gz AIFNIZIEAXARDC-WBVHZDCISA-N 2 2 332.448 1.976 10 0 EDAELP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000154647832 442350267 /nfs/dbraw/zinc/35/02/67/442350267.db2.gz AIFNIZIEAXARDC-WBVHZDCISA-N 2 2 332.448 1.976 10 0 EDAELP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000171686955 442370071 /nfs/dbraw/zinc/37/00/71/442370071.db2.gz WUSGIQFABQCKSH-HNNXBMFYSA-N 2 2 349.500 1.895 10 0 EDAELP CN(c1[nH+]cnc2c1cnn2C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171544787 442356107 /nfs/dbraw/zinc/35/61/07/442356107.db2.gz QDKIJJOPVGVFLI-UHFFFAOYSA-N 2 2 340.435 1.161 10 0 EDAELP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589963 442359642 /nfs/dbraw/zinc/35/96/42/442359642.db2.gz CBOWPWABGRVMRD-HZPDHXFCSA-N 2 2 335.496 1.583 10 0 EDAELP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589963 442359644 /nfs/dbraw/zinc/35/96/44/442359644.db2.gz CBOWPWABGRVMRD-HZPDHXFCSA-N 2 2 335.496 1.583 10 0 EDAELP C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000156266863 442461895 /nfs/dbraw/zinc/46/18/95/442461895.db2.gz VQMLFEGCFGGERM-DLBZAZTESA-N 2 2 338.496 1.367 10 0 EDAELP Cc1cc2ncc([C@H](C)[NH2+]C[C@H](O)C[NH+]3CCCCC3)c(C)n2n1 ZINC000179405290 442642259 /nfs/dbraw/zinc/64/22/59/442642259.db2.gz QFMHLQLSTHSZOV-HOCLYGCPSA-N 2 2 331.464 1.844 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc3nccn32)nc[nH+]1 ZINC000179424092 442645483 /nfs/dbraw/zinc/64/54/83/442645483.db2.gz GJOOFCIAGCTLFG-OAHLLOKOSA-N 2 2 337.431 1.925 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc3[nH+]ccn32)nc[nH+]1 ZINC000179424092 442645484 /nfs/dbraw/zinc/64/54/84/442645484.db2.gz GJOOFCIAGCTLFG-OAHLLOKOSA-N 3 2 337.431 1.925 10 0 EDAELP C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180677650 442647079 /nfs/dbraw/zinc/64/70/79/442647079.db2.gz SUTGMGDMKVINKY-OLZOCXBDSA-N 2 2 341.415 1.900 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cn(C)nc2C)nc[nH+]1 ZINC000180565586 442623256 /nfs/dbraw/zinc/62/32/56/442623256.db2.gz XLLWTWWRMUULOM-JSGCOSHPSA-N 2 2 329.452 1.880 10 0 EDAELP CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000181900790 526368138 /nfs/dbraw/zinc/36/81/38/526368138.db2.gz VMMWBZRAIVWDKW-AWEZNQCLSA-N 2 2 348.447 1.273 10 0 EDAELP CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000181900790 526368141 /nfs/dbraw/zinc/36/81/41/526368141.db2.gz VMMWBZRAIVWDKW-AWEZNQCLSA-N 2 2 348.447 1.273 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1C ZINC000117278704 595605091 /nfs/dbraw/zinc/60/50/91/595605091.db2.gz QWURFSCZCPTRCZ-HNNXBMFYSA-N 2 2 343.431 1.450 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1C ZINC000117278704 595605097 /nfs/dbraw/zinc/60/50/97/595605097.db2.gz QWURFSCZCPTRCZ-HNNXBMFYSA-N 2 2 343.431 1.450 10 0 EDAELP C[NH+](C)CCn1c(C[NH+](C)C)nc2sc3c(c2c1=O)CCCC3 ZINC000036068435 202313206 /nfs/dbraw/zinc/31/32/06/202313206.db2.gz JOBDKZFRMMOOMV-UHFFFAOYSA-N 2 2 334.489 1.960 10 0 EDAELP Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)n(C)n1 ZINC000131913950 223283092 /nfs/dbraw/zinc/28/30/92/223283092.db2.gz OQINZZPZOMGDEC-JKSUJKDBSA-N 2 2 341.415 1.382 10 0 EDAELP Cc1cc(N2CC[C@@H]([N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)n(C)n1 ZINC000131913950 223283093 /nfs/dbraw/zinc/28/30/93/223283093.db2.gz OQINZZPZOMGDEC-JKSUJKDBSA-N 2 2 341.415 1.382 10 0 EDAELP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797784 204159790 /nfs/dbraw/zinc/15/97/90/204159790.db2.gz GQYKVCCEFDCPNH-ZIAGYGMSSA-N 2 2 348.495 1.770 10 0 EDAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000245692436 139083419 /nfs/dbraw/zinc/08/34/19/139083419.db2.gz WHZXVCMOIYJWCN-ZWKOTPCHSA-N 2 2 331.460 1.349 10 0 EDAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000245692436 139083420 /nfs/dbraw/zinc/08/34/20/139083420.db2.gz WHZXVCMOIYJWCN-ZWKOTPCHSA-N 2 2 331.460 1.349 10 0 EDAELP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246925901 139127279 /nfs/dbraw/zinc/12/72/79/139127279.db2.gz DLXRZWIMDVMSEN-RBUKOAKNSA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246925901 139127280 /nfs/dbraw/zinc/12/72/80/139127280.db2.gz DLXRZWIMDVMSEN-RBUKOAKNSA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246925901 139127281 /nfs/dbraw/zinc/12/72/81/139127281.db2.gz DLXRZWIMDVMSEN-RBUKOAKNSA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246925901 139127282 /nfs/dbraw/zinc/12/72/82/139127282.db2.gz DLXRZWIMDVMSEN-RBUKOAKNSA-N 2 2 343.471 1.584 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000247134130 139136951 /nfs/dbraw/zinc/13/69/51/139136951.db2.gz KNXHHPOLABEYHK-IAGOWNOFSA-N 3 2 347.507 1.635 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000247134130 139136952 /nfs/dbraw/zinc/13/69/52/139136952.db2.gz KNXHHPOLABEYHK-IAGOWNOFSA-N 3 2 347.507 1.635 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000247134130 139136953 /nfs/dbraw/zinc/13/69/53/139136953.db2.gz KNXHHPOLABEYHK-IAGOWNOFSA-N 2 2 347.507 1.635 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000247134130 139136954 /nfs/dbraw/zinc/13/69/54/139136954.db2.gz KNXHHPOLABEYHK-IAGOWNOFSA-N 2 2 347.507 1.635 10 0 EDAELP CC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000247190829 139139776 /nfs/dbraw/zinc/13/97/76/139139776.db2.gz SNBUTVIHQURBCR-OALUTQOASA-N 2 2 347.503 1.729 10 0 EDAELP CC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1CCOC ZINC000247190829 139139777 /nfs/dbraw/zinc/13/97/77/139139777.db2.gz SNBUTVIHQURBCR-OALUTQOASA-N 2 2 347.503 1.729 10 0 EDAELP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1F ZINC000261713712 139219753 /nfs/dbraw/zinc/21/97/53/139219753.db2.gz IVFFHPREMGJZLL-UGFHNGPFSA-N 2 2 332.379 1.271 10 0 EDAELP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261796197 139226806 /nfs/dbraw/zinc/22/68/06/139226806.db2.gz VJEVRCYFYXGJEH-SWLSCSKDSA-N 2 2 332.448 1.432 10 0 EDAELP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261796197 139226807 /nfs/dbraw/zinc/22/68/07/139226807.db2.gz VJEVRCYFYXGJEH-SWLSCSKDSA-N 2 2 332.448 1.432 10 0 EDAELP CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000263235303 139330141 /nfs/dbraw/zinc/33/01/41/139330141.db2.gz NXTUVTAWYYCHDO-HZPDHXFCSA-N 2 2 327.432 1.983 10 0 EDAELP CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000263235303 139330142 /nfs/dbraw/zinc/33/01/42/139330142.db2.gz NXTUVTAWYYCHDO-HZPDHXFCSA-N 2 2 327.432 1.983 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000117294729 221047502 /nfs/dbraw/zinc/04/75/02/221047502.db2.gz YCGUICOMMNADQD-OAHLLOKOSA-N 2 2 328.416 1.665 10 0 EDAELP COCC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000117294729 221047504 /nfs/dbraw/zinc/04/75/04/221047504.db2.gz YCGUICOMMNADQD-OAHLLOKOSA-N 2 2 328.416 1.665 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1CC ZINC000246890219 276320778 /nfs/dbraw/zinc/32/07/78/276320778.db2.gz QYLCGLNVNFZAKH-HOTGVXAUSA-N 2 2 334.464 1.405 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1CC ZINC000246890219 276320780 /nfs/dbraw/zinc/32/07/80/276320780.db2.gz QYLCGLNVNFZAKH-HOTGVXAUSA-N 2 2 334.464 1.405 10 0 EDAELP CC(C)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000105124573 441236577 /nfs/dbraw/zinc/23/65/77/441236577.db2.gz PBCMRSSOGHLXCO-JKSUJKDBSA-N 2 2 326.485 1.127 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)NCCC(C)C)nc[nH+]1 ZINC000105797754 441272619 /nfs/dbraw/zinc/27/26/19/441272619.db2.gz BTVQWKNDCXKZQA-GJZGRUSLSA-N 2 2 348.495 1.628 10 0 EDAELP CCCC[C@@H](NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC ZINC000173333183 441715774 /nfs/dbraw/zinc/71/57/74/441715774.db2.gz XJTROKHZVCVTRW-ZIAGYGMSSA-N 2 2 335.452 1.809 10 0 EDAELP CCCC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC ZINC000173333183 441715782 /nfs/dbraw/zinc/71/57/82/441715782.db2.gz XJTROKHZVCVTRW-ZIAGYGMSSA-N 2 2 335.452 1.809 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C[C@@H]1C ZINC000175476098 442070441 /nfs/dbraw/zinc/07/04/41/442070441.db2.gz HYSHAEDUWDWCMN-HNNXBMFYSA-N 2 2 337.468 1.401 10 0 EDAELP COCC[N@H+]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C[C@@H]1C ZINC000175476098 442070448 /nfs/dbraw/zinc/07/04/48/442070448.db2.gz HYSHAEDUWDWCMN-HNNXBMFYSA-N 2 2 337.468 1.401 10 0 EDAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000162503557 442098587 /nfs/dbraw/zinc/09/85/87/442098587.db2.gz QZOLVYCVEPBQNT-MJGOQNOKSA-N 2 2 331.460 1.133 10 0 EDAELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000162503557 442098591 /nfs/dbraw/zinc/09/85/91/442098591.db2.gz QZOLVYCVEPBQNT-MJGOQNOKSA-N 2 2 331.460 1.133 10 0 EDAELP CCCn1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000121047433 442170029 /nfs/dbraw/zinc/17/00/29/442170029.db2.gz CNMVMBMCNJOGAG-IBGZPJMESA-N 2 2 349.523 1.520 10 0 EDAELP CCCn1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000121047433 442170031 /nfs/dbraw/zinc/17/00/31/442170031.db2.gz CNMVMBMCNJOGAG-IBGZPJMESA-N 2 2 349.523 1.520 10 0 EDAELP C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176433003 442221186 /nfs/dbraw/zinc/22/11/86/442221186.db2.gz GWGSJVHYHMUUAO-YOEHRIQHSA-N 2 2 343.431 1.563 10 0 EDAELP C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176433003 442221189 /nfs/dbraw/zinc/22/11/89/442221189.db2.gz GWGSJVHYHMUUAO-YOEHRIQHSA-N 2 2 343.431 1.563 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC000177146260 442304657 /nfs/dbraw/zinc/30/46/57/442304657.db2.gz OVRNWCOVCRAYEO-QGZVFWFLSA-N 2 2 334.464 1.685 10 0 EDAELP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195519379 443028317 /nfs/dbraw/zinc/02/83/17/443028317.db2.gz MLNMIURAZVYELJ-ULQDDVLXSA-N 2 2 335.448 1.372 10 0 EDAELP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195519379 443028320 /nfs/dbraw/zinc/02/83/20/443028320.db2.gz MLNMIURAZVYELJ-ULQDDVLXSA-N 2 2 335.448 1.372 10 0 EDAELP CC(C)[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638512140 451553077 /nfs/dbraw/zinc/55/30/77/451553077.db2.gz DZKLIIMLEFFJBS-MSOLQXFVSA-N 2 2 331.460 1.344 10 0 EDAELP CC(C)[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638512140 451553080 /nfs/dbraw/zinc/55/30/80/451553080.db2.gz DZKLIIMLEFFJBS-MSOLQXFVSA-N 2 2 331.460 1.344 10 0 EDAELP C[NH2+][C@@H](C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cnn(C)c1 ZINC000262322836 536337240 /nfs/dbraw/zinc/33/72/40/536337240.db2.gz FNNZOGQLNDOWHQ-CXAGYDPISA-N 2 2 338.415 1.744 10 0 EDAELP O=C(c1cn[nH]c1[C@@H]1CCCC[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000864785343 596353064 /nfs/dbraw/zinc/35/30/64/596353064.db2.gz CTUBEBVXWDMTDX-HNNXBMFYSA-N 2 2 328.420 1.898 10 0 EDAELP O=C(c1c[nH]nc1[C@@H]1CCCC[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000864785343 596353067 /nfs/dbraw/zinc/35/30/67/596353067.db2.gz CTUBEBVXWDMTDX-HNNXBMFYSA-N 2 2 328.420 1.898 10 0 EDAELP C[NH+](C)CCNC(=O)C1CCN(c2ccc(-n3cccc3)c[nH+]2)CC1 ZINC000033106178 202250233 /nfs/dbraw/zinc/25/02/33/202250233.db2.gz DAHJXFBQBYXCBK-UHFFFAOYSA-N 2 2 341.459 1.767 10 0 EDAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[NH+](CCO)CCO ZINC000043021081 204198175 /nfs/dbraw/zinc/19/81/75/204198175.db2.gz PHOQFLVSQQNMLT-KGLIPLIRSA-N 2 2 331.254 1.514 10 0 EDAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245609138 139080718 /nfs/dbraw/zinc/08/07/18/139080718.db2.gz ALZOVUNHMKVTFS-RDJZCZTQSA-N 2 2 334.464 1.137 10 0 EDAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245609138 139080719 /nfs/dbraw/zinc/08/07/19/139080719.db2.gz ALZOVUNHMKVTFS-RDJZCZTQSA-N 2 2 334.464 1.137 10 0 EDAELP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000245609138 139080720 /nfs/dbraw/zinc/08/07/20/139080720.db2.gz ALZOVUNHMKVTFS-RDJZCZTQSA-N 2 2 334.464 1.137 10 0 EDAELP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000245609138 139080721 /nfs/dbraw/zinc/08/07/21/139080721.db2.gz ALZOVUNHMKVTFS-RDJZCZTQSA-N 2 2 334.464 1.137 10 0 EDAELP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246925859 139127206 /nfs/dbraw/zinc/12/72/06/139127206.db2.gz DLXRZWIMDVMSEN-OALUTQOASA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246925859 139127207 /nfs/dbraw/zinc/12/72/07/139127207.db2.gz DLXRZWIMDVMSEN-OALUTQOASA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246925859 139127208 /nfs/dbraw/zinc/12/72/08/139127208.db2.gz DLXRZWIMDVMSEN-OALUTQOASA-N 2 2 343.471 1.584 10 0 EDAELP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246925859 139127209 /nfs/dbraw/zinc/12/72/09/139127209.db2.gz DLXRZWIMDVMSEN-OALUTQOASA-N 2 2 343.471 1.584 10 0 EDAELP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cn1 ZINC000262363543 139273333 /nfs/dbraw/zinc/27/33/33/139273333.db2.gz VJJGRSBLEYKONC-CVEARBPZSA-N 2 2 336.399 1.752 10 0 EDAELP CC[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1CCOC ZINC000177782624 207396161 /nfs/dbraw/zinc/39/61/61/207396161.db2.gz SDWZFDWSOHZHET-MRXNPFEDSA-N 2 2 345.447 1.587 10 0 EDAELP CC[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1CCOC ZINC000177782624 207396165 /nfs/dbraw/zinc/39/61/65/207396165.db2.gz SDWZFDWSOHZHET-MRXNPFEDSA-N 2 2 345.447 1.587 10 0 EDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246561155 287220931 /nfs/dbraw/zinc/22/09/31/287220931.db2.gz ZAAAPQKROKODNE-MWDXBVQZSA-N 2 2 338.496 1.364 10 0 EDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246561155 287220933 /nfs/dbraw/zinc/22/09/33/287220933.db2.gz ZAAAPQKROKODNE-MWDXBVQZSA-N 2 2 338.496 1.364 10 0 EDAELP CC[NH+]1CCN([C@@H]2CCN(c3cncc(-n4cc[nH+]c4C)n3)C2)CC1 ZINC000092896202 441838027 /nfs/dbraw/zinc/83/80/27/441838027.db2.gz HSDKGYQXGLHQMY-MRXNPFEDSA-N 2 2 341.463 1.187 10 0 EDAELP CCN1CC[NH+]([C@@H]2CCN(c3cncc(-n4cc[nH+]c4C)n3)C2)CC1 ZINC000092896202 441838034 /nfs/dbraw/zinc/83/80/34/441838034.db2.gz HSDKGYQXGLHQMY-MRXNPFEDSA-N 2 2 341.463 1.187 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)NCCCCn2cc[nH+]c2C)C[C@H]1C ZINC000175464461 442067538 /nfs/dbraw/zinc/06/75/38/442067538.db2.gz LTFAXXRJQPOPNW-OAHLLOKOSA-N 2 2 337.468 1.334 10 0 EDAELP COCC[N@H+]1CCN(C(=O)NCCCCn2cc[nH+]c2C)C[C@H]1C ZINC000175464461 442067543 /nfs/dbraw/zinc/06/75/43/442067543.db2.gz LTFAXXRJQPOPNW-OAHLLOKOSA-N 2 2 337.468 1.334 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000152400344 442208104 /nfs/dbraw/zinc/20/81/04/442208104.db2.gz MPWVCMOPAYVULT-MRXNPFEDSA-N 2 2 326.485 1.080 10 0 EDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000152400344 442208108 /nfs/dbraw/zinc/20/81/08/442208108.db2.gz MPWVCMOPAYVULT-MRXNPFEDSA-N 2 2 326.485 1.080 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000170683639 442248111 /nfs/dbraw/zinc/24/81/11/442248111.db2.gz ZHQAPQHKTIMDJX-IAGOWNOFSA-N 2 2 349.500 1.223 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000170683639 442248114 /nfs/dbraw/zinc/24/81/14/442248114.db2.gz ZHQAPQHKTIMDJX-IAGOWNOFSA-N 2 2 349.500 1.223 10 0 EDAELP CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000178471783 442436808 /nfs/dbraw/zinc/43/68/08/442436808.db2.gz XKNZCNMGSSANSF-HNNXBMFYSA-N 2 2 347.463 1.832 10 0 EDAELP CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000178471783 442436810 /nfs/dbraw/zinc/43/68/10/442436810.db2.gz XKNZCNMGSSANSF-HNNXBMFYSA-N 2 2 347.463 1.832 10 0 EDAELP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172749977 442533493 /nfs/dbraw/zinc/53/34/93/442533493.db2.gz FAKLBMMHZJFPHE-LJQANCHMSA-N 2 2 343.471 1.829 10 0 EDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC000182752322 442819241 /nfs/dbraw/zinc/81/92/41/442819241.db2.gz NONBFLPHSOESBQ-FQEVSTJZSA-N 2 2 347.503 1.406 10 0 EDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC000182752322 442819244 /nfs/dbraw/zinc/81/92/44/442819244.db2.gz NONBFLPHSOESBQ-FQEVSTJZSA-N 2 2 347.503 1.406 10 0 EDAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246927462 442822934 /nfs/dbraw/zinc/82/29/34/442822934.db2.gz JIOLARMAYAGJRU-IAGOWNOFSA-N 2 2 338.496 1.367 10 0 EDAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246927462 442822937 /nfs/dbraw/zinc/82/29/37/442822937.db2.gz JIOLARMAYAGJRU-IAGOWNOFSA-N 2 2 338.496 1.367 10 0 EDAELP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650243 442913065 /nfs/dbraw/zinc/91/30/65/442913065.db2.gz LWVNVAXREFLBGN-MJGOQNOKSA-N 2 2 332.492 1.556 10 0 EDAELP C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650243 442913066 /nfs/dbraw/zinc/91/30/66/442913066.db2.gz LWVNVAXREFLBGN-MJGOQNOKSA-N 2 2 332.492 1.556 10 0 EDAELP C[C@H](CN1CCOCC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248650243 442913070 /nfs/dbraw/zinc/91/30/70/442913070.db2.gz LWVNVAXREFLBGN-MJGOQNOKSA-N 2 2 332.492 1.556 10 0 EDAELP C[C@H](CN1CCOCC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248650243 442913074 /nfs/dbraw/zinc/91/30/74/442913074.db2.gz LWVNVAXREFLBGN-MJGOQNOKSA-N 2 2 332.492 1.556 10 0 EDAELP CCOC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909832 443027590 /nfs/dbraw/zinc/02/75/90/443027590.db2.gz KMZBTMHHOYJNDE-CQSZACIVSA-N 2 2 344.415 1.544 10 0 EDAELP COC[C@@]1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000638447373 451520979 /nfs/dbraw/zinc/52/09/79/451520979.db2.gz DDDTVTCPTKIYOI-VQIMIIECSA-N 2 2 331.460 1.488 10 0 EDAELP COC[C@@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000638447373 451520981 /nfs/dbraw/zinc/52/09/81/451520981.db2.gz DDDTVTCPTKIYOI-VQIMIIECSA-N 2 2 331.460 1.488 10 0 EDAELP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173802781 534675263 /nfs/dbraw/zinc/67/52/63/534675263.db2.gz PIPOABXWXDUODK-RDTXWAMCSA-N 2 2 342.443 1.524 10 0 EDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000124392878 138326314 /nfs/dbraw/zinc/32/63/14/138326314.db2.gz ARZKXPPGSVWOCW-SJORKVTESA-N 2 2 338.496 1.223 10 0 EDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000124392878 138326315 /nfs/dbraw/zinc/32/63/15/138326315.db2.gz ARZKXPPGSVWOCW-SJORKVTESA-N 2 2 338.496 1.223 10 0 EDAELP CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000111213108 204340988 /nfs/dbraw/zinc/34/09/88/204340988.db2.gz OSCNEXFJJSPHKH-HNNXBMFYSA-N 2 2 348.447 1.145 10 0 EDAELP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000111213108 204340992 /nfs/dbraw/zinc/34/09/92/204340992.db2.gz OSCNEXFJJSPHKH-HNNXBMFYSA-N 2 2 348.447 1.145 10 0 EDAELP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286354 139012454 /nfs/dbraw/zinc/01/24/54/139012454.db2.gz SNGPRQQPZAKYIX-MOPGFXCFSA-N 2 2 335.492 1.869 10 0 EDAELP CC(C)COC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286354 139012455 /nfs/dbraw/zinc/01/24/55/139012455.db2.gz SNGPRQQPZAKYIX-MOPGFXCFSA-N 2 2 335.492 1.869 10 0 EDAELP CC(C)COC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195286354 139012456 /nfs/dbraw/zinc/01/24/56/139012456.db2.gz SNGPRQQPZAKYIX-MOPGFXCFSA-N 2 2 335.492 1.869 10 0 EDAELP CC(C)COC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195286354 139012457 /nfs/dbraw/zinc/01/24/57/139012457.db2.gz SNGPRQQPZAKYIX-MOPGFXCFSA-N 2 2 335.492 1.869 10 0 EDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC2CCCC2)C1 ZINC000195290847 139012780 /nfs/dbraw/zinc/01/27/80/139012780.db2.gz SKQRBOUKCBUJBM-KRWDZBQOSA-N 2 2 330.476 1.894 10 0 EDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC2CCCC2)C1 ZINC000195290847 139012781 /nfs/dbraw/zinc/01/27/81/139012781.db2.gz SKQRBOUKCBUJBM-KRWDZBQOSA-N 2 2 330.476 1.894 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000195290847 139012782 /nfs/dbraw/zinc/01/27/82/139012782.db2.gz SKQRBOUKCBUJBM-KRWDZBQOSA-N 2 2 330.476 1.894 10 0 EDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000195290847 139012783 /nfs/dbraw/zinc/01/27/83/139012783.db2.gz SKQRBOUKCBUJBM-KRWDZBQOSA-N 2 2 330.476 1.894 10 0 EDAELP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)S1 ZINC000127049041 205082510 /nfs/dbraw/zinc/08/25/10/205082510.db2.gz GHCYFNFGKYERHI-WBVHZDCISA-N 2 2 349.500 1.673 10 0 EDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245510868 139077343 /nfs/dbraw/zinc/07/73/43/139077343.db2.gz LTGINPSFIAFDNA-JKSUJKDBSA-N 2 2 331.464 1.786 10 0 EDAELP C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000246363882 139105753 /nfs/dbraw/zinc/10/57/53/139105753.db2.gz PUVOCXJRCVCPMF-BQFCYCMXSA-N 2 2 333.476 1.385 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000247739258 139154602 /nfs/dbraw/zinc/15/46/02/139154602.db2.gz NKEOHZDNXTUFKX-CHWSQXEVSA-N 2 2 344.467 1.677 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000247739258 139154603 /nfs/dbraw/zinc/15/46/03/139154603.db2.gz NKEOHZDNXTUFKX-CHWSQXEVSA-N 2 2 344.467 1.677 10 0 EDAELP CC1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1[NH3+] ZINC000261626864 139212480 /nfs/dbraw/zinc/21/24/80/139212480.db2.gz DYJWEPADEOYOGH-MRXNPFEDSA-N 3 2 345.491 1.180 10 0 EDAELP CC1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1[NH3+] ZINC000261626864 139212481 /nfs/dbraw/zinc/21/24/81/139212481.db2.gz DYJWEPADEOYOGH-MRXNPFEDSA-N 3 2 345.491 1.180 10 0 EDAELP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1OC ZINC000261616655 139211307 /nfs/dbraw/zinc/21/13/07/139211307.db2.gz CSQFXNQIYPXQBA-MRXNPFEDSA-N 2 2 349.475 1.721 10 0 EDAELP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1OC ZINC000261616655 139211308 /nfs/dbraw/zinc/21/13/08/139211308.db2.gz CSQFXNQIYPXQBA-MRXNPFEDSA-N 2 2 349.475 1.721 10 0 EDAELP Cc1cc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nc(C(C)C)[nH+]1 ZINC000262110679 139251732 /nfs/dbraw/zinc/25/17/32/139251732.db2.gz AWAJZPKXYJDXCX-HOTGVXAUSA-N 2 2 345.491 1.993 10 0 EDAELP C[NH+]1CCC(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000174651151 207041532 /nfs/dbraw/zinc/04/15/32/207041532.db2.gz JIYBPHANYCKLTN-SFHVURJKSA-N 2 2 331.460 1.206 10 0 EDAELP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000171684779 276093753 /nfs/dbraw/zinc/09/37/53/276093753.db2.gz SAOVTMCFENVBBX-IBGZPJMESA-N 2 2 333.476 1.380 10 0 EDAELP CC1(C)CC(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC(C)(C)[NH2+]1 ZINC000173770298 276100333 /nfs/dbraw/zinc/10/03/33/276100333.db2.gz JBERESBXWYSDJH-HNNXBMFYSA-N 2 2 338.496 1.412 10 0 EDAELP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](CCOC)[C@H](C)C1)c1ccccc1 ZINC000117295221 441869463 /nfs/dbraw/zinc/86/94/63/441869463.db2.gz DKFJBMGJLIUJEV-AEFFLSMTSA-N 2 2 333.476 1.859 10 0 EDAELP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](CCOC)[C@H](C)C1)c1ccccc1 ZINC000117295221 441869465 /nfs/dbraw/zinc/86/94/65/441869465.db2.gz DKFJBMGJLIUJEV-AEFFLSMTSA-N 2 2 333.476 1.859 10 0 EDAELP CC[NH+](C)[C@H](C(=O)N1CC[N@H+](CCOC)[C@H](C)C1)c1ccccc1 ZINC000117295221 441869467 /nfs/dbraw/zinc/86/94/67/441869467.db2.gz DKFJBMGJLIUJEV-AEFFLSMTSA-N 2 2 333.476 1.859 10 0 EDAELP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1)c1ccccc1 ZINC000117295221 441869469 /nfs/dbraw/zinc/86/94/69/441869469.db2.gz DKFJBMGJLIUJEV-AEFFLSMTSA-N 2 2 333.476 1.859 10 0 EDAELP CC[C@H](C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1)[NH+](C)C ZINC000123701621 441895791 /nfs/dbraw/zinc/89/57/91/441895791.db2.gz SWVAYYLBHAVMMW-CABCVRRESA-N 2 2 339.505 1.886 10 0 EDAELP COCC[N@@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@H]1C ZINC000174735545 441962824 /nfs/dbraw/zinc/96/28/24/441962824.db2.gz RBFPWQQMXSIZGG-JKSUJKDBSA-N 2 2 333.480 1.870 10 0 EDAELP COCC[N@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@H]1C ZINC000174735545 441962828 /nfs/dbraw/zinc/96/28/28/441962828.db2.gz RBFPWQQMXSIZGG-JKSUJKDBSA-N 2 2 333.480 1.870 10 0 EDAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC(=O)NC1CC1 ZINC000180677634 442647285 /nfs/dbraw/zinc/64/72/85/442647285.db2.gz SUTGMGDMKVINKY-STQMWFEESA-N 2 2 341.415 1.900 10 0 EDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000190352881 443090653 /nfs/dbraw/zinc/09/06/53/443090653.db2.gz OEFKKWXUFZXJKI-QWHCGFSZSA-N 2 2 332.404 1.114 10 0 EDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000190352881 443090657 /nfs/dbraw/zinc/09/06/57/443090657.db2.gz OEFKKWXUFZXJKI-QWHCGFSZSA-N 2 2 332.404 1.114 10 0 EDAELP C[N@@H+]1C[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)[C@H](C(F)(F)F)C1 ZINC000299746370 444133699 /nfs/dbraw/zinc/13/36/99/444133699.db2.gz WXGNXCYWMVIFEN-CHWSQXEVSA-N 2 2 340.349 1.733 10 0 EDAELP C[N@H+]1C[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)[C@H](C(F)(F)F)C1 ZINC000299746370 444133702 /nfs/dbraw/zinc/13/37/02/444133702.db2.gz WXGNXCYWMVIFEN-CHWSQXEVSA-N 2 2 340.349 1.733 10 0 EDAELP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@H]1C[NH3+] ZINC000631839796 450809075 /nfs/dbraw/zinc/80/90/75/450809075.db2.gz KXILQUAROLCXHJ-UWVGGRQHSA-N 2 2 327.226 1.309 10 0 EDAELP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@H]1C[NH3+] ZINC000631839796 450809079 /nfs/dbraw/zinc/80/90/79/450809079.db2.gz KXILQUAROLCXHJ-UWVGGRQHSA-N 2 2 327.226 1.309 10 0 EDAELP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515650 534708275 /nfs/dbraw/zinc/70/82/75/534708275.db2.gz FTOSYVHGEMOGAN-CYBMUJFWSA-N 2 2 333.436 1.440 10 0 EDAELP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515650 534708286 /nfs/dbraw/zinc/70/82/86/534708286.db2.gz FTOSYVHGEMOGAN-CYBMUJFWSA-N 2 2 333.436 1.440 10 0 EDAELP CC[N@@H+]1CCO[C@@H](CNc2nc(NC)[nH+]cc2Br)C1 ZINC000166349403 527732616 /nfs/dbraw/zinc/73/26/16/527732616.db2.gz PVWFAZYFGUTYLE-VIFPVBQESA-N 2 2 330.230 1.413 10 0 EDAELP CC[N@H+]1CCO[C@@H](CNc2nc(NC)[nH+]cc2Br)C1 ZINC000166349403 527732621 /nfs/dbraw/zinc/73/26/21/527732621.db2.gz PVWFAZYFGUTYLE-VIFPVBQESA-N 2 2 330.230 1.413 10 0 EDAELP CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000195299703 535227741 /nfs/dbraw/zinc/22/77/41/535227741.db2.gz ZAWBMQBRMIZDJL-QZTJIDSGSA-N 2 2 330.476 1.845 10 0 EDAELP CC(C)N1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000195299703 535227744 /nfs/dbraw/zinc/22/77/44/535227744.db2.gz ZAWBMQBRMIZDJL-QZTJIDSGSA-N 2 2 330.476 1.845 10 0 EDAELP CC(C)N1CC[C@@H]([NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000195299703 535227749 /nfs/dbraw/zinc/22/77/49/535227749.db2.gz ZAWBMQBRMIZDJL-QZTJIDSGSA-N 2 2 330.476 1.845 10 0 EDAELP CC(C)N1CC[C@@H]([NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1=O ZINC000195299703 535227752 /nfs/dbraw/zinc/22/77/52/535227752.db2.gz ZAWBMQBRMIZDJL-QZTJIDSGSA-N 2 2 330.476 1.845 10 0 EDAELP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](CCOC)[C@@H](C)C1)c1ccccc1 ZINC000246962192 535761453 /nfs/dbraw/zinc/76/14/53/535761453.db2.gz DKFJBMGJLIUJEV-WMZOPIPTSA-N 2 2 333.476 1.859 10 0 EDAELP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](CCOC)[C@@H](C)C1)c1ccccc1 ZINC000246962192 535761457 /nfs/dbraw/zinc/76/14/57/535761457.db2.gz DKFJBMGJLIUJEV-WMZOPIPTSA-N 2 2 333.476 1.859 10 0 EDAELP CC[NH+](C)[C@H](C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)c1ccccc1 ZINC000246962192 535761461 /nfs/dbraw/zinc/76/14/61/535761461.db2.gz DKFJBMGJLIUJEV-WMZOPIPTSA-N 2 2 333.476 1.859 10 0 EDAELP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)c1ccccc1 ZINC000246962192 535761467 /nfs/dbraw/zinc/76/14/67/535761467.db2.gz DKFJBMGJLIUJEV-WMZOPIPTSA-N 2 2 333.476 1.859 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C[C@H](C)O ZINC000246726716 535834922 /nfs/dbraw/zinc/83/49/22/535834922.db2.gz FBWDVJWXPGLDNH-CGTJXYLNSA-N 2 2 333.476 1.593 10 0 EDAELP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C[C@H](C)O ZINC000246726716 535834927 /nfs/dbraw/zinc/83/49/27/535834927.db2.gz FBWDVJWXPGLDNH-CGTJXYLNSA-N 2 2 333.476 1.593 10 0 EDAELP C[NH2+][C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cnn(C)c1 ZINC000262373398 536380023 /nfs/dbraw/zinc/38/00/23/536380023.db2.gz LZGPJKDODZQUQA-HNNXBMFYSA-N 2 2 333.461 1.087 10 0 EDAELP CC(C)CCOCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105915153 138302440 /nfs/dbraw/zinc/30/24/40/138302440.db2.gz BRXCNOJZZGGLBP-IBGZPJMESA-N 2 2 341.540 1.776 10 0 EDAELP CC(C)CCOCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915153 138302441 /nfs/dbraw/zinc/30/24/41/138302441.db2.gz BRXCNOJZZGGLBP-IBGZPJMESA-N 2 2 341.540 1.776 10 0 EDAELP CC(=O)Nc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000105861946 204172969 /nfs/dbraw/zinc/17/29/69/204172969.db2.gz PIWMPVWIWOAGMJ-GFCCVEGCSA-N 2 2 340.493 1.626 10 0 EDAELP CC(=O)Nc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000105861946 204172972 /nfs/dbraw/zinc/17/29/72/204172972.db2.gz PIWMPVWIWOAGMJ-GFCCVEGCSA-N 2 2 340.493 1.626 10 0 EDAELP CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)c[nH+]1 ZINC000117030460 204554141 /nfs/dbraw/zinc/55/41/41/204554141.db2.gz ZWQIUJAPERXISO-MRXNPFEDSA-N 2 2 349.479 1.400 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000245428181 139074165 /nfs/dbraw/zinc/07/41/65/139074165.db2.gz WSKGTRKGCQEBPQ-QZTJIDSGSA-N 2 2 349.450 1.627 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000245428181 139074166 /nfs/dbraw/zinc/07/41/66/139074166.db2.gz WSKGTRKGCQEBPQ-QZTJIDSGSA-N 2 2 349.450 1.627 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000245428181 139074167 /nfs/dbraw/zinc/07/41/67/139074167.db2.gz WSKGTRKGCQEBPQ-QZTJIDSGSA-N 2 2 349.450 1.627 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000245428181 139074168 /nfs/dbraw/zinc/07/41/68/139074168.db2.gz WSKGTRKGCQEBPQ-QZTJIDSGSA-N 2 2 349.450 1.627 10 0 EDAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000245674989 139082764 /nfs/dbraw/zinc/08/27/64/139082764.db2.gz FRVCSQCXZBWZDM-CVEARBPZSA-N 2 2 331.464 1.916 10 0 EDAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000245674989 139082765 /nfs/dbraw/zinc/08/27/65/139082765.db2.gz FRVCSQCXZBWZDM-CVEARBPZSA-N 2 2 331.464 1.916 10 0 EDAELP CC1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1[NH3+] ZINC000261626859 139212474 /nfs/dbraw/zinc/21/24/74/139212474.db2.gz DYJWEPADEOYOGH-INIZCTEOSA-N 3 2 345.491 1.180 10 0 EDAELP CC1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1[NH3+] ZINC000261626859 139212475 /nfs/dbraw/zinc/21/24/75/139212475.db2.gz DYJWEPADEOYOGH-INIZCTEOSA-N 3 2 345.491 1.180 10 0 EDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000105198940 279146446 /nfs/dbraw/zinc/14/64/46/279146446.db2.gz KCDUJBZJBRMTCZ-CABCVRRESA-N 2 2 338.452 1.292 10 0 EDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000105198940 279146448 /nfs/dbraw/zinc/14/64/48/279146448.db2.gz KCDUJBZJBRMTCZ-CABCVRRESA-N 2 2 338.452 1.292 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OC)c(O)c2)nc[nH+]1 ZINC000105904844 441315265 /nfs/dbraw/zinc/31/52/65/441315265.db2.gz VXKPLRCWFFOZLU-CQSZACIVSA-N 2 2 343.431 1.991 10 0 EDAELP Cc1[nH+]ccn1-c1cncc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000091453810 441701157 /nfs/dbraw/zinc/70/11/57/441701157.db2.gz HIXRYHJAOBJFLJ-AWEZNQCLSA-N 2 2 342.447 1.660 10 0 EDAELP Cc1[nH+]ccn1-c1cncc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000091453810 441701158 /nfs/dbraw/zinc/70/11/58/441701158.db2.gz HIXRYHJAOBJFLJ-AWEZNQCLSA-N 2 2 342.447 1.660 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)C[C@H]1C ZINC000117473895 441872826 /nfs/dbraw/zinc/87/28/26/441872826.db2.gz KPASRNRTZHPOTJ-OAHLLOKOSA-N 2 2 345.447 1.239 10 0 EDAELP COCC[N@H+]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)C[C@H]1C ZINC000117473895 441872831 /nfs/dbraw/zinc/87/28/31/441872831.db2.gz KPASRNRTZHPOTJ-OAHLLOKOSA-N 2 2 345.447 1.239 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC(=O)NC3CC3)C2)[nH+]1 ZINC000195516146 443026252 /nfs/dbraw/zinc/02/62/52/443026252.db2.gz OMEVXCVOAPHIBD-ZDUSSCGKSA-N 2 2 331.420 1.112 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)[nH+]1 ZINC000195516146 443026259 /nfs/dbraw/zinc/02/62/59/443026259.db2.gz OMEVXCVOAPHIBD-ZDUSSCGKSA-N 2 2 331.420 1.112 10 0 EDAELP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173960506 533875519 /nfs/dbraw/zinc/87/55/19/533875519.db2.gz LIDFPVUZFQNMBV-YJBOKZPZSA-N 2 2 340.427 1.665 10 0 EDAELP CC[NH2+][C@H](Cc1cncc(Br)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000167917540 528425494 /nfs/dbraw/zinc/42/54/94/528425494.db2.gz KZOVNUJUILSZOC-CABCVRRESA-N 2 2 341.297 1.611 10 0 EDAELP CC[NH2+][C@H](Cc1cncc(Br)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000167917540 528425496 /nfs/dbraw/zinc/42/54/96/528425496.db2.gz KZOVNUJUILSZOC-CABCVRRESA-N 2 2 341.297 1.611 10 0 EDAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000111493303 138308648 /nfs/dbraw/zinc/30/86/48/138308648.db2.gz YVOUOWSCUFKEDA-JKSUJKDBSA-N 2 2 340.512 1.517 10 0 EDAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000111493303 138308649 /nfs/dbraw/zinc/30/86/49/138308649.db2.gz YVOUOWSCUFKEDA-JKSUJKDBSA-N 2 2 340.512 1.517 10 0 EDAELP 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COC(=O)C1=C(O)CC[NH+](CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000070460873 203078830 /nfs/dbraw/zinc/07/88/30/203078830.db2.gz DSRZDPQJNOWPRE-KRWDZBQOSA-N 2 2 330.428 1.499 10 0 EDAELP COC(=O)C1=C(O)CC[NH+](CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000070460873 203078833 /nfs/dbraw/zinc/07/88/33/203078833.db2.gz DSRZDPQJNOWPRE-KRWDZBQOSA-N 2 2 330.428 1.499 10 0 EDAELP CCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000236823981 139032816 /nfs/dbraw/zinc/03/28/16/139032816.db2.gz CBGFDYXTHZBCOO-HNNXBMFYSA-N 2 2 339.867 1.990 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000245974220 139091627 /nfs/dbraw/zinc/09/16/27/139091627.db2.gz WMSFRZWNVKMXMX-YPMHNXCESA-N 2 2 330.440 1.250 10 0 EDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000245974220 139091628 /nfs/dbraw/zinc/09/16/28/139091628.db2.gz WMSFRZWNVKMXMX-YPMHNXCESA-N 2 2 330.440 1.250 10 0 EDAELP CC(C)[N@H+](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@H](C)C1 ZINC000247010119 139131235 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10 0 EDAELP O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000177761232 442380954 /nfs/dbraw/zinc/38/09/54/442380954.db2.gz NDCXWFXYJXIISK-QGZVFWFLSA-N 2 2 346.475 1.094 10 0 EDAELP O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000177761232 442380956 /nfs/dbraw/zinc/38/09/56/442380956.db2.gz NDCXWFXYJXIISK-QGZVFWFLSA-N 2 2 346.475 1.094 10 0 EDAELP O=C(NCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(F)(F)F ZINC000154845488 442360576 /nfs/dbraw/zinc/36/05/76/442360576.db2.gz QRFJASZAHSGAHV-GFCCVEGCSA-N 2 2 330.354 1.884 10 0 EDAELP O=C(NCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(F)(F)F ZINC000154845488 442360578 /nfs/dbraw/zinc/36/05/78/442360578.db2.gz QRFJASZAHSGAHV-GFCCVEGCSA-N 2 2 330.354 1.884 10 0 EDAELP O[C@@H](C[NH2+]Cc1cncc(Br)c1)C[NH+]1CCCCC1 ZINC000186603488 442571398 /nfs/dbraw/zinc/57/13/98/442571398.db2.gz RJGYNVYMZRAOPY-AWEZNQCLSA-N 2 2 328.254 1.781 10 0 EDAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccc(F)c1 ZINC000246529642 442790018 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CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc3[nH+]ccn31)C2 ZINC000888098035 591027180 /nfs/dbraw/zinc/02/71/80/591027180.db2.gz YBFJZLGENJUYAU-PSBWJHGTSA-N 3 2 328.460 1.904 10 0 EDAELP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc3[nH+]ccn31)C2 ZINC000888098035 591027183 /nfs/dbraw/zinc/02/71/83/591027183.db2.gz YBFJZLGENJUYAU-PSBWJHGTSA-N 3 2 328.460 1.904 10 0 EDAELP C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915846 138302655 /nfs/dbraw/zinc/30/26/55/138302655.db2.gz DYCBKOJOBBFSPL-KRWDZBQOSA-N 2 2 347.507 1.680 10 0 EDAELP C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915846 138302656 /nfs/dbraw/zinc/30/26/56/138302656.db2.gz DYCBKOJOBBFSPL-KRWDZBQOSA-N 2 2 347.507 1.680 10 0 EDAELP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000069655244 203033425 /nfs/dbraw/zinc/03/34/25/203033425.db2.gz YVRPJFVYDBODQD-SJORKVTESA-N 2 2 347.507 1.717 10 0 EDAELP 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1.571 10 0 EDAELP C[C@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000249615901 139196631 /nfs/dbraw/zinc/19/66/31/139196631.db2.gz PHXIDHDNXXGPEX-WKUFJEKOSA-N 2 2 335.492 1.571 10 0 EDAELP COCC[N@@H+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1C ZINC000177782598 207396225 /nfs/dbraw/zinc/39/62/25/207396225.db2.gz BWZUZFAXRAEPLO-AWEZNQCLSA-N 2 2 331.420 1.196 10 0 EDAELP COCC[N@H+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1C ZINC000177782598 207396227 /nfs/dbraw/zinc/39/62/27/207396227.db2.gz BWZUZFAXRAEPLO-AWEZNQCLSA-N 2 2 331.420 1.196 10 0 EDAELP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544439 441177930 /nfs/dbraw/zinc/17/79/30/441177930.db2.gz KUYBOYYHNVJXNW-QAPCUYQASA-N 2 2 349.450 1.627 10 0 EDAELP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544439 441177935 /nfs/dbraw/zinc/17/79/35/441177935.db2.gz KUYBOYYHNVJXNW-QAPCUYQASA-N 2 2 349.450 1.627 10 0 EDAELP C[N@H+](CC(=O)NC1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863110 441293864 /nfs/dbraw/zinc/29/38/64/441293864.db2.gz UIXDCCDHBSXBEP-UHFFFAOYSA-N 2 2 333.480 1.338 10 0 EDAELP C[N@@H+](CC(=O)NC1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863110 441293868 /nfs/dbraw/zinc/29/38/68/441293868.db2.gz UIXDCCDHBSXBEP-UHFFFAOYSA-N 2 2 333.480 1.338 10 0 EDAELP Cn1c(CC2CC[NH2+]CC2)nnc1C[N@H+](C)CCc1ccccn1 ZINC000055393750 441646531 /nfs/dbraw/zinc/64/65/31/441646531.db2.gz APUHDLVOLJNNRT-UHFFFAOYSA-N 2 2 328.464 1.427 10 0 EDAELP Cn1c(CC2CC[NH2+]CC2)nnc1C[N@@H+](C)CCc1ccccn1 ZINC000055393750 441646534 /nfs/dbraw/zinc/64/65/34/441646534.db2.gz APUHDLVOLJNNRT-UHFFFAOYSA-N 2 2 328.464 1.427 10 0 EDAELP COc1c(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c(C)nn1C ZINC000093079151 441857648 /nfs/dbraw/zinc/85/76/48/441857648.db2.gz XPBWMKJLUIWXJT-UHFFFAOYSA-N 2 2 331.420 1.463 10 0 EDAELP C[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C)CC1 ZINC000173947218 441866737 /nfs/dbraw/zinc/86/67/37/441866737.db2.gz XXPWKUMMPBAZDZ-JKSUJKDBSA-N 2 2 341.459 1.685 10 0 EDAELP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173947237 441866984 /nfs/dbraw/zinc/86/69/84/441866984.db2.gz XXPWKUMMPBAZDZ-HOTGVXAUSA-N 2 2 341.459 1.685 10 0 EDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174191534 441900669 /nfs/dbraw/zinc/90/06/69/441900669.db2.gz JMIZQLXSTPOQKJ-MOPGFXCFSA-N 2 2 345.487 1.340 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000175547898 442082699 /nfs/dbraw/zinc/08/26/99/442082699.db2.gz OIHJKEDODJRJDG-MRXNPFEDSA-N 2 2 349.479 1.476 10 0 EDAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171904286 442389619 /nfs/dbraw/zinc/38/96/19/442389619.db2.gz UPOVSXIUWXQJJJ-INIZCTEOSA-N 2 2 325.416 1.862 10 0 EDAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171904286 442389622 /nfs/dbraw/zinc/38/96/22/442389622.db2.gz UPOVSXIUWXQJJJ-INIZCTEOSA-N 2 2 325.416 1.862 10 0 EDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CCC[NH+](C)C)nc[nH+]1 ZINC000186331472 442513735 /nfs/dbraw/zinc/51/37/35/442513735.db2.gz KZNDBOHRGGYKOQ-CQSZACIVSA-N 2 2 349.483 1.080 10 0 EDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CCC[NH+](C)C)[nH+]cn1 ZINC000186331472 442513741 /nfs/dbraw/zinc/51/37/41/442513741.db2.gz KZNDBOHRGGYKOQ-CQSZACIVSA-N 2 2 349.483 1.080 10 0 EDAELP C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000188711664 442793966 /nfs/dbraw/zinc/79/39/66/442793966.db2.gz DNWHTCOBAKUQTK-SJLPKXTDSA-N 2 2 347.503 1.463 10 0 EDAELP C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000188711664 442793971 /nfs/dbraw/zinc/79/39/71/442793971.db2.gz DNWHTCOBAKUQTK-SJLPKXTDSA-N 2 2 347.503 1.463 10 0 EDAELP C[C@H](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000182700078 442808986 /nfs/dbraw/zinc/80/89/86/442808986.db2.gz MJXVHGQHAVHFEL-SJORKVTESA-N 2 2 338.496 1.367 10 0 EDAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247391564 442850692 /nfs/dbraw/zinc/85/06/92/442850692.db2.gz QLSUNMDRJAJBSP-IAGOWNOFSA-N 2 2 338.496 1.080 10 0 EDAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247391564 442850695 /nfs/dbraw/zinc/85/06/95/442850695.db2.gz QLSUNMDRJAJBSP-IAGOWNOFSA-N 2 2 338.496 1.080 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nc(COC)no2)nc[nH+]1 ZINC000183090223 318518681 /nfs/dbraw/zinc/51/86/81/318518681.db2.gz DRQUHBSACVYTJQ-RYUDHWBXSA-N 2 2 347.423 1.367 10 0 EDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638834254 451705383 /nfs/dbraw/zinc/70/53/83/451705383.db2.gz DJSHKASUKCWQSG-VNQPRFMTSA-N 2 2 337.414 1.868 10 0 EDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638834254 451705387 /nfs/dbraw/zinc/70/53/87/451705387.db2.gz DJSHKASUKCWQSG-VNQPRFMTSA-N 2 2 337.414 1.868 10 0 EDAELP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662744517 453473595 /nfs/dbraw/zinc/47/35/95/453473595.db2.gz PFSGVWLFKVKRIY-IPMKNSEASA-N 2 2 344.503 1.436 10 0 EDAELP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662744517 453473601 /nfs/dbraw/zinc/47/36/01/453473601.db2.gz PFSGVWLFKVKRIY-IPMKNSEASA-N 2 2 344.503 1.436 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000261713601 535352479 /nfs/dbraw/zinc/35/24/79/535352479.db2.gz MTKYRUSAMRWNGU-AWEZNQCLSA-N 2 2 341.402 1.963 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000261713601 535352481 /nfs/dbraw/zinc/35/24/81/535352481.db2.gz MTKYRUSAMRWNGU-AWEZNQCLSA-N 2 2 341.402 1.963 10 0 EDAELP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](CCOC)[C@@H](C)C1)c1ccccc1 ZINC000246962145 535760543 /nfs/dbraw/zinc/76/05/43/535760543.db2.gz DKFJBMGJLIUJEV-FUHWJXTLSA-N 2 2 333.476 1.859 10 0 EDAELP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](CCOC)[C@@H](C)C1)c1ccccc1 ZINC000246962145 535760545 /nfs/dbraw/zinc/76/05/45/535760545.db2.gz DKFJBMGJLIUJEV-FUHWJXTLSA-N 2 2 333.476 1.859 10 0 EDAELP CC[NH+](C)[C@@H](C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)c1ccccc1 ZINC000246962145 535760548 /nfs/dbraw/zinc/76/05/48/535760548.db2.gz DKFJBMGJLIUJEV-FUHWJXTLSA-N 2 2 333.476 1.859 10 0 EDAELP CC[NH+](C)[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)c1ccccc1 ZINC000246962145 535760550 /nfs/dbraw/zinc/76/05/50/535760550.db2.gz DKFJBMGJLIUJEV-FUHWJXTLSA-N 2 2 333.476 1.859 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCNS(=O)(=O)CC)C1 ZINC000132677607 536174548 /nfs/dbraw/zinc/17/45/48/536174548.db2.gz IUFGIMFDTJRJBF-CQSZACIVSA-N 2 2 328.482 1.412 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)CC)C1 ZINC000132677607 536174551 /nfs/dbraw/zinc/17/45/51/536174551.db2.gz IUFGIMFDTJRJBF-CQSZACIVSA-N 2 2 328.482 1.412 10 0 EDAELP COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261804728 536622988 /nfs/dbraw/zinc/62/29/88/536622988.db2.gz WGFDWKUJWIPERE-KRWDZBQOSA-N 2 2 349.475 1.387 10 0 EDAELP COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261804728 536622990 /nfs/dbraw/zinc/62/29/90/536622990.db2.gz WGFDWKUJWIPERE-KRWDZBQOSA-N 2 2 349.475 1.387 10 0 EDAELP Cn1cnc([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]2[NH3+])c1 ZINC000864341633 596858610 /nfs/dbraw/zinc/85/86/10/596858610.db2.gz PIEXSERKCURNKT-HZPDHXFCSA-N 2 2 336.399 1.173 10 0 EDAELP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000051760446 214103692 /nfs/dbraw/zinc/10/36/92/214103692.db2.gz ZCIVTBAEMUSFCQ-WMLDXEAASA-N 2 2 338.496 1.412 10 0 EDAELP Nc1nc(NCc2cc(-c3ccco3)on2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072474974 216252823 /nfs/dbraw/zinc/25/28/23/216252823.db2.gz WINXIHRDCUVCII-UHFFFAOYSA-N 2 2 326.360 1.607 10 0 EDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](c2nccn2C)C2CC2)nc[nH+]1 ZINC000245871893 139088046 /nfs/dbraw/zinc/08/80/46/139088046.db2.gz LKVWMVFGXSGEEB-YOEHRIQHSA-N 2 2 341.463 1.962 10 0 EDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000247551470 139151995 /nfs/dbraw/zinc/15/19/95/139151995.db2.gz ZGUOBFLQCIMWPH-WBVHZDCISA-N 2 2 345.491 1.327 10 0 EDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000247551470 139151996 /nfs/dbraw/zinc/15/19/96/139151996.db2.gz ZGUOBFLQCIMWPH-WBVHZDCISA-N 2 2 345.491 1.327 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC[C@H]1[NH3+] ZINC000261606569 139210196 /nfs/dbraw/zinc/21/01/96/139210196.db2.gz ASNCSUUBYLEVJK-CZUORRHYSA-N 2 2 333.432 1.002 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC[C@H]1[NH3+] ZINC000261606569 139210197 /nfs/dbraw/zinc/21/01/97/139210197.db2.gz ASNCSUUBYLEVJK-CZUORRHYSA-N 2 2 333.432 1.002 10 0 EDAELP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261643719 139213736 /nfs/dbraw/zinc/21/37/36/139213736.db2.gz GMSITVHJNWFLGC-CQSZACIVSA-N 2 2 334.420 1.403 10 0 EDAELP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261643719 139213737 /nfs/dbraw/zinc/21/37/37/139213737.db2.gz GMSITVHJNWFLGC-CQSZACIVSA-N 2 2 334.420 1.403 10 0 EDAELP CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c[nH+]1 ZINC000117030462 221024389 /nfs/dbraw/zinc/02/43/89/221024389.db2.gz ZWQIUJAPERXISO-INIZCTEOSA-N 2 2 349.479 1.400 10 0 EDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1CC ZINC000246890280 276320579 /nfs/dbraw/zinc/32/05/79/276320579.db2.gz QYLCGLNVNFZAKH-JKSUJKDBSA-N 2 2 334.464 1.405 10 0 EDAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1CC ZINC000246890280 276320581 /nfs/dbraw/zinc/32/05/81/276320581.db2.gz QYLCGLNVNFZAKH-JKSUJKDBSA-N 2 2 334.464 1.405 10 0 EDAELP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104789150 441209897 /nfs/dbraw/zinc/20/98/97/441209897.db2.gz UYYANTWTOBFJCB-HZPDHXFCSA-N 2 2 326.485 1.271 10 0 EDAELP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104789150 441209903 /nfs/dbraw/zinc/20/99/03/441209903.db2.gz UYYANTWTOBFJCB-HZPDHXFCSA-N 2 2 326.485 1.271 10 0 EDAELP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104789150 441209909 /nfs/dbraw/zinc/20/99/09/441209909.db2.gz UYYANTWTOBFJCB-HZPDHXFCSA-N 2 2 326.485 1.271 10 0 EDAELP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104789150 441209912 /nfs/dbraw/zinc/20/99/12/441209912.db2.gz UYYANTWTOBFJCB-HZPDHXFCSA-N 2 2 326.485 1.271 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000105896265 441312154 /nfs/dbraw/zinc/31/21/54/441312154.db2.gz KNXHHPOLABEYHK-DLBZAZTESA-N 3 2 347.507 1.635 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000105896265 441312155 /nfs/dbraw/zinc/31/21/55/441312155.db2.gz KNXHHPOLABEYHK-DLBZAZTESA-N 3 2 347.507 1.635 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000105896265 441312157 /nfs/dbraw/zinc/31/21/57/441312157.db2.gz KNXHHPOLABEYHK-DLBZAZTESA-N 2 2 347.507 1.635 10 0 EDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000105896265 441312158 /nfs/dbraw/zinc/31/21/58/441312158.db2.gz KNXHHPOLABEYHK-DLBZAZTESA-N 2 2 347.507 1.635 10 0 EDAELP Cc1cccc2[nH+]c(CNC(=O)NC[C@H](O)C[NH+]3CCCCC3)cn21 ZINC000109405105 441499463 /nfs/dbraw/zinc/49/94/63/441499463.db2.gz HXCUOOBOLHZQSI-INIZCTEOSA-N 2 2 345.447 1.289 10 0 EDAELP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000173645300 441813548 /nfs/dbraw/zinc/81/35/48/441813548.db2.gz ILQOJMFFMVJAEG-HOTGVXAUSA-N 2 2 333.476 1.953 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCN(C(C)C)C2=O)nc[nH+]1 ZINC000175184657 442013298 /nfs/dbraw/zinc/01/32/98/442013298.db2.gz AEQSBJJWBGNRFZ-ZIAGYGMSSA-N 2 2 332.452 1.086 10 0 EDAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177471503 442345679 /nfs/dbraw/zinc/34/56/79/442345679.db2.gz WWJQWUVMFJCUED-GOEBONIOSA-N 2 2 330.436 1.898 10 0 EDAELP Cc1cccc2[nH+]c(CNC(=O)N3CCO[C@@H](C[NH+](C)C)C3)cn21 ZINC000172136157 442413819 /nfs/dbraw/zinc/41/38/19/442413819.db2.gz XPZDXJLKXUGKOS-HNNXBMFYSA-N 2 2 331.420 1.115 10 0 EDAELP CC[NH+](CC)CCCN1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000191785047 442510778 /nfs/dbraw/zinc/51/07/78/442510778.db2.gz KCSQWKAFZCSAFW-IBGZPJMESA-N 2 2 340.556 1.445 10 0 EDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000178755148 442475511 /nfs/dbraw/zinc/47/55/11/442475511.db2.gz PTYDKSGVOVWORW-CQSZACIVSA-N 2 2 341.415 1.394 10 0 EDAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)cn2)CC1 ZINC000245514264 443233578 /nfs/dbraw/zinc/23/35/78/443233578.db2.gz FOOBOJAYCMFYOW-IAGOWNOFSA-N 2 2 331.464 1.372 10 0 EDAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)cn2)CC1 ZINC000245514264 443233579 /nfs/dbraw/zinc/23/35/79/443233579.db2.gz FOOBOJAYCMFYOW-IAGOWNOFSA-N 2 2 331.464 1.372 10 0 EDAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662744572 453472735 /nfs/dbraw/zinc/47/27/35/453472735.db2.gz RAOBNVAJUAAXDN-ROUUACIJSA-N 2 2 332.492 1.292 10 0 EDAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662744572 453472744 /nfs/dbraw/zinc/47/27/44/453472744.db2.gz RAOBNVAJUAAXDN-ROUUACIJSA-N 2 2 332.492 1.292 10 0 EDAELP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173907308 528183965 /nfs/dbraw/zinc/18/39/65/528183965.db2.gz YMGBORRTTOAECK-QGZVFWFLSA-N 2 2 338.496 1.225 10 0 EDAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398948545 578318360 /nfs/dbraw/zinc/31/83/60/578318360.db2.gz CLFZMVBSHBUQQF-PKOBYXMFSA-N 3 2 331.504 1.943 10 0 EDAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000398948545 578318361 /nfs/dbraw/zinc/31/83/61/578318361.db2.gz CLFZMVBSHBUQQF-PKOBYXMFSA-N 3 2 331.504 1.943 10 0 EDAELP CC[C@@H]1CC(=O)N(C[NH+]2CCN(c3ccc(C[NH+](C)C)cn3)CC2)C1 ZINC000119343274 596520965 /nfs/dbraw/zinc/52/09/65/596520965.db2.gz UAPGZYJEYZRHEP-MRXNPFEDSA-N 2 2 345.491 1.481 10 0 EDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000174967720 529406285 /nfs/dbraw/zinc/40/62/85/529406285.db2.gz DKHPJHOSIGPPHF-HZPDHXFCSA-N 2 2 325.416 1.966 10 0 EDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000174967720 529406287 /nfs/dbraw/zinc/40/62/87/529406287.db2.gz DKHPJHOSIGPPHF-HZPDHXFCSA-N 2 2 325.416 1.966 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000246308290 539614529 /nfs/dbraw/zinc/61/45/29/539614529.db2.gz DPBLDNMZPBSINE-ARFHVFGLSA-N 3 2 330.480 1.704 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000246308290 539614532 /nfs/dbraw/zinc/61/45/32/539614532.db2.gz DPBLDNMZPBSINE-ARFHVFGLSA-N 3 2 330.480 1.704 10 0 EDAELP Cc1ccc(C)c(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)c1 ZINC000040704476 213372288 /nfs/dbraw/zinc/37/22/88/213372288.db2.gz TUSXILUSCUVSSZ-UHFFFAOYSA-N 2 2 327.436 1.994 10 0 EDAELP CCC[C@@H](C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1)[NH+](C)C ZINC000192798210 283472479 /nfs/dbraw/zinc/47/24/79/283472479.db2.gz ZQNDRROMQQEUSG-PQUAAJSLSA-N 2 2 341.496 1.103 10 0 EDAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)NCC[NH+](C)C)c2cccs2)CCO1 ZINC000245723689 139084368 /nfs/dbraw/zinc/08/43/68/139084368.db2.gz ROQDPCFTGIWXGT-ZIAGYGMSSA-N 2 2 340.493 1.371 10 0 EDAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)NCC[NH+](C)C)c2cccs2)CCO1 ZINC000245723689 139084369 /nfs/dbraw/zinc/08/43/69/139084369.db2.gz ROQDPCFTGIWXGT-ZIAGYGMSSA-N 2 2 340.493 1.371 10 0 EDAELP CC[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000248460073 139165040 /nfs/dbraw/zinc/16/50/40/139165040.db2.gz SCRFGSVSURNCSD-HOTGVXAUSA-N 2 2 349.479 1.370 10 0 EDAELP CC[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000248460073 139165041 /nfs/dbraw/zinc/16/50/41/139165041.db2.gz SCRFGSVSURNCSD-HOTGVXAUSA-N 2 2 349.479 1.370 10 0 EDAELP CCC[C@@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000094039975 218261721 /nfs/dbraw/zinc/26/17/21/218261721.db2.gz MUBJZJQRSVAGFU-KRWDZBQOSA-N 2 2 346.475 1.743 10 0 EDAELP C[NH2+][C@H](Cc1cncc(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000167916865 533011834 /nfs/dbraw/zinc/01/18/34/533011834.db2.gz JOMRAMVCLUBTEE-ZIAGYGMSSA-N 2 2 327.270 1.220 10 0 EDAELP C[NH2+][C@H](Cc1cncc(Br)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000167916865 533011838 /nfs/dbraw/zinc/01/18/38/533011838.db2.gz JOMRAMVCLUBTEE-ZIAGYGMSSA-N 2 2 327.270 1.220 10 0 EDAELP COC(=O)CNC(=O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189913775 533519331 /nfs/dbraw/zinc/51/93/31/533519331.db2.gz ZJKXFHJWXKAXRE-CYBMUJFWSA-N 2 2 330.388 1.202 10 0 EDAELP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000194746739 148959898 /nfs/dbraw/zinc/95/98/98/148959898.db2.gz RVAKMIHDJOOKGY-ZIFCJYIRSA-N 2 2 347.503 1.727 10 0 EDAELP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000194746739 148959900 /nfs/dbraw/zinc/95/99/00/148959900.db2.gz RVAKMIHDJOOKGY-ZIFCJYIRSA-N 2 2 347.503 1.727 10 0 EDAELP Cc1c(N)c[nH+]c(NCCC[NH+]2CCOCC2)c1Br ZINC000165465823 226125068 /nfs/dbraw/zinc/12/50/68/226125068.db2.gz HZDLCGGBPCGEKH-UHFFFAOYSA-N 2 2 329.242 1.869 10 0 EDAELP [NH3+][C@@H](Cc1ccc(Br)cc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000168547667 226217033 /nfs/dbraw/zinc/21/70/33/226217033.db2.gz SBZIJFMIXFHPSI-UONOGXRCSA-N 2 2 344.684 1.972 10 0 EDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171616151 227176163 /nfs/dbraw/zinc/17/61/63/227176163.db2.gz CCTIICFNGMZBCG-KRWDZBQOSA-N 2 2 333.476 1.386 10 0 EDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171616151 227176169 /nfs/dbraw/zinc/17/61/69/227176169.db2.gz CCTIICFNGMZBCG-KRWDZBQOSA-N 2 2 333.476 1.386 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c[nH+]ccc2N(C)C)nc[nH+]1 ZINC000185189097 277043128 /nfs/dbraw/zinc/04/31/28/277043128.db2.gz HJIBBUUEMACEQB-OAHLLOKOSA-N 3 2 341.463 1.738 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c[nH+]ccc2N(C)C)ncn1 ZINC000185189097 277043131 /nfs/dbraw/zinc/04/31/31/277043131.db2.gz HJIBBUUEMACEQB-OAHLLOKOSA-N 2 2 341.463 1.738 10 0 EDAELP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173960528 278412584 /nfs/dbraw/zinc/41/25/84/278412584.db2.gz LIDFPVUZFQNMBV-MAUKXSAKSA-N 2 2 340.427 1.665 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000104781877 441208075 /nfs/dbraw/zinc/20/80/75/441208075.db2.gz HLEZOPNAJXBOBK-GOSISDBHSA-N 2 2 346.475 1.065 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000104781877 441208079 /nfs/dbraw/zinc/20/80/79/441208079.db2.gz HLEZOPNAJXBOBK-GOSISDBHSA-N 2 2 346.475 1.065 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000104781877 441208082 /nfs/dbraw/zinc/20/80/82/441208082.db2.gz HLEZOPNAJXBOBK-GOSISDBHSA-N 2 2 346.475 1.065 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000104781877 441208085 /nfs/dbraw/zinc/20/80/85/441208085.db2.gz HLEZOPNAJXBOBK-GOSISDBHSA-N 2 2 346.475 1.065 10 0 EDAELP C[C@@H](CNC(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000077714829 441837408 /nfs/dbraw/zinc/83/74/08/441837408.db2.gz UEUXWDPRLYKNPQ-KRWDZBQOSA-N 2 2 348.491 1.528 10 0 EDAELP C[C@@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000077714829 441837411 /nfs/dbraw/zinc/83/74/11/441837411.db2.gz UEUXWDPRLYKNPQ-KRWDZBQOSA-N 2 2 348.491 1.528 10 0 EDAELP C[C@@H](CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000175466509 442067560 /nfs/dbraw/zinc/06/75/60/442067560.db2.gz OVXGWRYMXIVYJO-FUHWJXTLSA-N 2 2 348.491 1.527 10 0 EDAELP C[C@@H](CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000175466509 442067566 /nfs/dbraw/zinc/06/75/66/442067566.db2.gz OVXGWRYMXIVYJO-FUHWJXTLSA-N 2 2 348.491 1.527 10 0 EDAELP C[C@@H](CCNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000175466509 442067572 /nfs/dbraw/zinc/06/75/72/442067572.db2.gz OVXGWRYMXIVYJO-FUHWJXTLSA-N 2 2 348.491 1.527 10 0 EDAELP C[C@@H](CCNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000175466509 442067575 /nfs/dbraw/zinc/06/75/75/442067575.db2.gz OVXGWRYMXIVYJO-FUHWJXTLSA-N 2 2 348.491 1.527 10 0 EDAELP CC[C@H](O)C[NH+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000172761664 442536636 /nfs/dbraw/zinc/53/66/36/442536636.db2.gz WWHADWCTZLEFDQ-HOTGVXAUSA-N 2 2 333.480 1.606 10 0 EDAELP CCOCC[N@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@@H]1CC ZINC000179909822 442518142 /nfs/dbraw/zinc/51/81/42/442518142.db2.gz QWLLRVGGXRRIGT-AWEZNQCLSA-N 2 2 345.451 1.182 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nc(COC)no2)nc[nH+]1 ZINC000183090283 318518521 /nfs/dbraw/zinc/51/85/21/318518521.db2.gz DRQUHBSACVYTJQ-VXGBXAGGSA-N 2 2 347.423 1.367 10 0 EDAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000183394362 442927565 /nfs/dbraw/zinc/92/75/65/442927565.db2.gz SSPBQPOPXXWUIK-KRWDZBQOSA-N 2 2 348.495 1.672 10 0 EDAELP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000245691512 443244903 /nfs/dbraw/zinc/24/49/03/443244903.db2.gz XGBDYLMTWLDMPB-NXHRZFHOSA-N 2 2 346.475 1.452 10 0 EDAELP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000245691512 443244905 /nfs/dbraw/zinc/24/49/05/443244905.db2.gz XGBDYLMTWLDMPB-NXHRZFHOSA-N 2 2 346.475 1.452 10 0 EDAELP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCO1 ZINC000051760443 214104063 /nfs/dbraw/zinc/10/40/63/214104063.db2.gz ZCIVTBAEMUSFCQ-PBHICJAKSA-N 2 2 338.496 1.412 10 0 EDAELP COc1ccc(C)cc1Nc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040684266 213369502 /nfs/dbraw/zinc/36/95/02/213369502.db2.gz MJTDNMPPZDHBKJ-UHFFFAOYSA-N 2 2 343.435 1.694 10 0 EDAELP C[NH+]1CCN(S(=O)(=O)c2ccc(Nc3cc[nH+]cc3)nc2)CC1 ZINC000039771347 213242208 /nfs/dbraw/zinc/24/22/08/213242208.db2.gz YMDIEJNXHCVSHB-UHFFFAOYSA-N 2 2 333.417 1.156 10 0 EDAELP CCn1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000121032365 138316951 /nfs/dbraw/zinc/31/69/51/138316951.db2.gz ARKIQVCMPDRSLU-SFHVURJKSA-N 2 2 335.496 1.130 10 0 EDAELP CCn1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000121032365 138316952 /nfs/dbraw/zinc/31/69/52/138316952.db2.gz ARKIQVCMPDRSLU-SFHVURJKSA-N 2 2 335.496 1.130 10 0 EDAELP CCOC(=O)Cc1[nH+]c2ccc(N)cn2c1CN1CC[NH+](CC)CC1 ZINC000036272099 213079732 /nfs/dbraw/zinc/07/97/32/213079732.db2.gz IZINMMLYSWWJJA-UHFFFAOYSA-N 2 2 345.447 1.160 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC(=O)NCC(C)C)C2)[nH+]1 ZINC000195516074 139018736 /nfs/dbraw/zinc/01/87/36/139018736.db2.gz NDLNKQDRHMXDNT-HNNXBMFYSA-N 2 2 347.463 1.606 10 0 EDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC(=O)NCC(C)C)C2)[nH+]1 ZINC000195516074 139018737 /nfs/dbraw/zinc/01/87/37/139018737.db2.gz NDLNKQDRHMXDNT-HNNXBMFYSA-N 2 2 347.463 1.606 10 0 EDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1cccnc1 ZINC000111212857 220110881 /nfs/dbraw/zinc/11/08/81/220110881.db2.gz WGZIJXNUAQFLOX-MRXNPFEDSA-N 2 2 325.416 1.527 10 0 EDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1cccnc1 ZINC000111212857 220110884 /nfs/dbraw/zinc/11/08/84/220110884.db2.gz WGZIJXNUAQFLOX-MRXNPFEDSA-N 2 2 325.416 1.527 10 0 EDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000111614297 220170553 /nfs/dbraw/zinc/17/05/53/220170553.db2.gz NONMUQSQSCOODO-VQIMIIECSA-N 2 2 345.487 1.348 10 0 EDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000111614297 220170555 /nfs/dbraw/zinc/17/05/55/220170555.db2.gz NONMUQSQSCOODO-VQIMIIECSA-N 2 2 345.487 1.348 10 0 EDAELP Cc1[nH+]ccn1CCCN(C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000246383994 139106406 /nfs/dbraw/zinc/10/64/06/139106406.db2.gz IMRAHHUKRHKMKJ-HNNXBMFYSA-N 2 2 330.436 1.469 10 0 EDAELP Cc1[nH+]ccn1CCCN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000246383994 139106407 /nfs/dbraw/zinc/10/64/07/139106407.db2.gz IMRAHHUKRHKMKJ-HNNXBMFYSA-N 2 2 330.436 1.469 10 0 EDAELP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249692727 139197168 /nfs/dbraw/zinc/19/71/68/139197168.db2.gz MYNIEAANLCFBBA-NCOADZHNSA-N 2 2 325.497 1.721 10 0 EDAELP CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249692727 139197169 /nfs/dbraw/zinc/19/71/69/139197169.db2.gz MYNIEAANLCFBBA-NCOADZHNSA-N 2 2 325.497 1.721 10 0 EDAELP COc1ccccc1[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[NH+](C)C ZINC000263055751 139320057 /nfs/dbraw/zinc/32/00/57/139320057.db2.gz UYLHUAMNCOQEAZ-OLZOCXBDSA-N 2 2 327.375 1.411 10 0 EDAELP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000119492082 221333646 /nfs/dbraw/zinc/33/36/46/221333646.db2.gz GOJBMVGKADUMTM-GDBMZVCRSA-N 2 2 339.505 1.567 10 0 EDAELP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000119492082 221333649 /nfs/dbraw/zinc/33/36/49/221333649.db2.gz GOJBMVGKADUMTM-GDBMZVCRSA-N 2 2 339.505 1.567 10 0 EDAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104789260 441209131 /nfs/dbraw/zinc/20/91/31/441209131.db2.gz IDXKNKMJIPRXCR-IXDOHACOSA-N 2 2 340.512 1.374 10 0 EDAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104789260 441209134 /nfs/dbraw/zinc/20/91/34/441209134.db2.gz IDXKNKMJIPRXCR-IXDOHACOSA-N 2 2 340.512 1.374 10 0 EDAELP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000104789260 441209139 /nfs/dbraw/zinc/20/91/39/441209139.db2.gz IDXKNKMJIPRXCR-IXDOHACOSA-N 2 2 340.512 1.374 10 0 EDAELP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000104789260 441209142 /nfs/dbraw/zinc/20/91/42/441209142.db2.gz IDXKNKMJIPRXCR-IXDOHACOSA-N 2 2 340.512 1.374 10 0 EDAELP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000105282999 441247412 /nfs/dbraw/zinc/24/74/12/441247412.db2.gz ADFLMFSUNKTHJB-IAGOWNOFSA-N 2 2 332.448 1.015 10 0 EDAELP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000105282999 441247416 /nfs/dbraw/zinc/24/74/16/441247416.db2.gz ADFLMFSUNKTHJB-IAGOWNOFSA-N 2 2 332.448 1.015 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000105282999 441247422 /nfs/dbraw/zinc/24/74/22/441247422.db2.gz ADFLMFSUNKTHJB-IAGOWNOFSA-N 2 2 332.448 1.015 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000105282999 441247425 /nfs/dbraw/zinc/24/74/25/441247425.db2.gz ADFLMFSUNKTHJB-IAGOWNOFSA-N 2 2 332.448 1.015 10 0 EDAELP CC(C)CCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863372 441294198 /nfs/dbraw/zinc/29/41/98/441294198.db2.gz MTGGCPZESCDKFP-KRWDZBQOSA-N 2 2 349.523 1.830 10 0 EDAELP CC(C)CCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863372 441294201 /nfs/dbraw/zinc/29/42/01/441294201.db2.gz MTGGCPZESCDKFP-KRWDZBQOSA-N 2 2 349.523 1.830 10 0 EDAELP CC(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000106428542 441343579 /nfs/dbraw/zinc/34/35/79/441343579.db2.gz MXDCDKLPBDQHBW-MOPGFXCFSA-N 2 2 347.503 1.632 10 0 EDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC000105897119 441311506 /nfs/dbraw/zinc/31/15/06/441311506.db2.gz OKBCUHUOOLPLKI-AWEZNQCLSA-N 2 2 330.436 1.763 10 0 EDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC000105897119 441311510 /nfs/dbraw/zinc/31/15/10/441311510.db2.gz OKBCUHUOOLPLKI-AWEZNQCLSA-N 2 2 330.436 1.763 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000176153644 442183664 /nfs/dbraw/zinc/18/36/64/442183664.db2.gz GCXAIMLUQFRYTO-SJORKVTESA-N 2 2 335.423 1.237 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000176153644 442183669 /nfs/dbraw/zinc/18/36/69/442183669.db2.gz GCXAIMLUQFRYTO-SJORKVTESA-N 2 2 335.423 1.237 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000176153644 442183673 /nfs/dbraw/zinc/18/36/73/442183673.db2.gz GCXAIMLUQFRYTO-SJORKVTESA-N 2 2 335.423 1.237 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000176153644 442183677 /nfs/dbraw/zinc/18/36/77/442183677.db2.gz GCXAIMLUQFRYTO-SJORKVTESA-N 2 2 335.423 1.237 10 0 EDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc3ccccn23)nc[nH+]1 ZINC000171627095 442364456 /nfs/dbraw/zinc/36/44/56/442364456.db2.gz IAWJMFSYCCFBKJ-CQSZACIVSA-N 2 2 337.431 1.925 10 0 EDAELP CC(C)n1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000179514490 442470669 /nfs/dbraw/zinc/47/06/69/442470669.db2.gz OZEOQANSELANIR-LJQANCHMSA-N 2 2 349.523 1.691 10 0 EDAELP CC(C)n1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000179514490 442470670 /nfs/dbraw/zinc/47/06/70/442470670.db2.gz OZEOQANSELANIR-LJQANCHMSA-N 2 2 349.523 1.691 10 0 EDAELP CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000186207181 442485495 /nfs/dbraw/zinc/48/54/95/442485495.db2.gz FJJBGGYPYGSCSN-AWEZNQCLSA-N 2 2 343.431 1.926 10 0 EDAELP CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000186207181 442485498 /nfs/dbraw/zinc/48/54/98/442485498.db2.gz FJJBGGYPYGSCSN-AWEZNQCLSA-N 2 2 343.431 1.926 10 0 EDAELP Cc1cc2[nH+]cn(C[C@H](O)CN3CC[N@@H+]4CCC[C@@H]4C3)c2cc1C ZINC000171626485 534136851 /nfs/dbraw/zinc/13/68/51/534136851.db2.gz MPFORRJCECHJDA-IAGOWNOFSA-N 2 2 328.460 1.794 10 0 EDAELP Cc1cc2[nH+]cn(C[C@H](O)CN3CC[N@H+]4CCC[C@@H]4C3)c2cc1C ZINC000171626485 534136862 /nfs/dbraw/zinc/13/68/62/534136862.db2.gz MPFORRJCECHJDA-IAGOWNOFSA-N 2 2 328.460 1.794 10 0 EDAELP CO[C@@H]1C[C@H](c2[nH]cc[nH+]2)N(C(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000888077773 590933916 /nfs/dbraw/zinc/93/39/16/590933916.db2.gz UJTHMKOBXILDSD-HUUCEWRRSA-N 2 2 329.404 1.469 10 0 EDAELP c1cc2c(c(OC[C@H]3C[NH2+]CCO3)c1)OCC(C[NH+]1CCOCC1)=C2 ZINC000003995919 210096594 /nfs/dbraw/zinc/09/65/94/210096594.db2.gz RTKDBEOSPDFLGD-QGZVFWFLSA-N 2 2 346.427 1.162 10 0 in-vitro EDAELP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000246522113 299181729 /nfs/dbraw/zinc/18/17/29/299181729.db2.gz VRSLJCJAVRHEJF-XYJFISCASA-N 2 2 348.491 1.698 10 0 EDAELP C[NH+](C)[C@H](CNc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1cccs1 ZINC000072418014 216205992 /nfs/dbraw/zinc/20/59/92/216205992.db2.gz KXGWULQHKQMINQ-CYBMUJFWSA-N 3 2 332.477 1.523 10 0 EDAELP CC1(C)CN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000261671067 139216100 /nfs/dbraw/zinc/21/61/00/139216100.db2.gz AEWKTRASWBVCFG-KRWDZBQOSA-N 2 2 331.460 1.718 10 0 EDAELP COc1cc(OC)cc(N2CC[C@@H]([N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)c1 ZINC000261703162 139219066 /nfs/dbraw/zinc/21/90/66/139219066.db2.gz IGQLLOOIUJPDKO-SJORKVTESA-N 2 2 347.459 1.868 10 0 EDAELP COc1cc(OC)cc(N2CC[C@@H]([N@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)c1 ZINC000261703162 139219067 /nfs/dbraw/zinc/21/90/67/139219067.db2.gz IGQLLOOIUJPDKO-SJORKVTESA-N 2 2 347.459 1.868 10 0 EDAELP CN1CC[NH2+]C[C@H]1c1noc(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000263318507 139335553 /nfs/dbraw/zinc/33/55/53/139335553.db2.gz ZVVQGLYHFJKQQO-INIZCTEOSA-N 2 2 343.431 1.145 10 0 EDAELP COCC[N@H+](C)CCCC1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC000122047829 222002558 /nfs/dbraw/zinc/00/25/58/222002558.db2.gz JZHHNBLXORIABH-UHFFFAOYSA-N 2 2 338.500 1.824 10 0 EDAELP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC000122047829 222002562 /nfs/dbraw/zinc/00/25/62/222002562.db2.gz JZHHNBLXORIABH-UHFFFAOYSA-N 2 2 338.500 1.824 10 0 EDAELP CC[C@@H](C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1)[NH+](C)C ZINC000123701809 222319782 /nfs/dbraw/zinc/31/97/82/222319782.db2.gz SWVAYYLBHAVMMW-LSDHHAIUSA-N 2 2 339.505 1.886 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000104799036 277127773 /nfs/dbraw/zinc/12/77/73/277127773.db2.gz RRZYKTNGROJVKA-MSOLQXFVSA-N 2 2 346.475 1.453 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000104799036 277127774 /nfs/dbraw/zinc/12/77/74/277127774.db2.gz RRZYKTNGROJVKA-MSOLQXFVSA-N 2 2 346.475 1.453 10 0 EDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000105198946 441242517 /nfs/dbraw/zinc/24/25/17/441242517.db2.gz KCDUJBZJBRMTCZ-HUUCEWRRSA-N 2 2 338.452 1.292 10 0 EDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000105198946 441242521 /nfs/dbraw/zinc/24/25/21/441242521.db2.gz KCDUJBZJBRMTCZ-HUUCEWRRSA-N 2 2 338.452 1.292 10 0 EDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000104778570 441206775 /nfs/dbraw/zinc/20/67/75/441206775.db2.gz HPFAUSROHXMVQZ-ZWKOTPCHSA-N 2 2 348.491 1.699 10 0 EDAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000104797495 441210830 /nfs/dbraw/zinc/21/08/30/441210830.db2.gz VBWFGGIPXDOBEL-GOSISDBHSA-N 2 2 346.475 1.235 10 0 EDAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000104797495 441210831 /nfs/dbraw/zinc/21/08/31/441210831.db2.gz VBWFGGIPXDOBEL-GOSISDBHSA-N 2 2 346.475 1.235 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000104797495 441210832 /nfs/dbraw/zinc/21/08/32/441210832.db2.gz VBWFGGIPXDOBEL-GOSISDBHSA-N 2 2 346.475 1.235 10 0 EDAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000104797495 441210834 /nfs/dbraw/zinc/21/08/34/441210834.db2.gz VBWFGGIPXDOBEL-GOSISDBHSA-N 2 2 346.475 1.235 10 0 EDAELP CCOC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105861658 441293334 /nfs/dbraw/zinc/29/33/34/441293334.db2.gz DCLWKQDDMBDVAR-QAPCUYQASA-N 2 2 334.460 1.973 10 0 EDAELP C[NH+](C)C[C@@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCO1 ZINC000181693602 442710206 /nfs/dbraw/zinc/71/02/06/442710206.db2.gz MTHIIMDEVFRREL-MRXNPFEDSA-N 2 2 325.497 1.534 10 0 EDAELP C[NH+](C)C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCO1 ZINC000181693602 442710208 /nfs/dbraw/zinc/71/02/08/442710208.db2.gz MTHIIMDEVFRREL-MRXNPFEDSA-N 2 2 325.497 1.534 10 0 EDAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1cccc(F)c1 ZINC000246529629 442790003 /nfs/dbraw/zinc/79/00/03/442790003.db2.gz WIXOYTOMKVFCFQ-HZPDHXFCSA-N 2 2 338.427 1.058 10 0 EDAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1cccc(F)c1 ZINC000246529629 442790007 /nfs/dbraw/zinc/79/00/07/442790007.db2.gz WIXOYTOMKVFCFQ-HZPDHXFCSA-N 2 2 338.427 1.058 10 0 EDAELP COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249595129 442993599 /nfs/dbraw/zinc/99/35/99/442993599.db2.gz WPSHTGRXRKGMAB-VQIMIIECSA-N 2 2 347.459 1.433 10 0 EDAELP COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249595129 442993601 /nfs/dbraw/zinc/99/36/01/442993601.db2.gz WPSHTGRXRKGMAB-VQIMIIECSA-N 2 2 347.459 1.433 10 0 EDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3cnccn3)CC2)C1 ZINC000184520995 443033648 /nfs/dbraw/zinc/03/36/48/443033648.db2.gz QEEOENFIEGKGQS-IRXDYDNUSA-N 2 2 333.480 1.264 10 0 EDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3cnccn3)CC2)C1 ZINC000184520995 443033653 /nfs/dbraw/zinc/03/36/53/443033653.db2.gz QEEOENFIEGKGQS-IRXDYDNUSA-N 2 2 333.480 1.264 10 0 EDAELP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245928360 443258002 /nfs/dbraw/zinc/25/80/02/443258002.db2.gz ZKZCHJLQOUCVHH-CABCVRRESA-N 2 2 337.468 1.068 10 0 EDAELP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245928360 443258008 /nfs/dbraw/zinc/25/80/08/443258008.db2.gz ZKZCHJLQOUCVHH-CABCVRRESA-N 2 2 337.468 1.068 10 0 EDAELP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)ccn12 ZINC000564466745 321133810 /nfs/dbraw/zinc/13/38/10/321133810.db2.gz VBIBRZZLZRGFML-CZUORRHYSA-N 2 2 328.416 1.435 10 0 EDAELP COCC[NH2+][C@@H](C[NH3+])c1cc(Br)c2c(c1)OCCCO2 ZINC000053255943 214172857 /nfs/dbraw/zinc/17/28/57/214172857.db2.gz HHMLMXSVEVZQLB-LBPRGKRZSA-N 2 2 345.237 1.846 10 0 EDAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000168180109 529944486 /nfs/dbraw/zinc/94/44/86/529944486.db2.gz FBJVZWFYMMIHPA-GJZGRUSLSA-N 2 2 337.489 1.722 10 0 EDAELP CC(=O)c1cccc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)c1 ZINC000040705268 213372234 /nfs/dbraw/zinc/37/22/34/213372234.db2.gz UVQOGBRUNQEHDX-UHFFFAOYSA-N 2 2 341.419 1.579 10 0 EDAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC(=O)NCC(C)C)C2)[nH+]1 ZINC000195516075 139019032 /nfs/dbraw/zinc/01/90/32/139019032.db2.gz NDLNKQDRHMXDNT-OAHLLOKOSA-N 2 2 347.463 1.606 10 0 EDAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC(=O)NCC(C)C)C2)[nH+]1 ZINC000195516075 139019033 /nfs/dbraw/zinc/01/90/33/139019033.db2.gz NDLNKQDRHMXDNT-OAHLLOKOSA-N 2 2 347.463 1.606 10 0 EDAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)[nH+]1 ZINC000247291483 139143711 /nfs/dbraw/zinc/14/37/11/139143711.db2.gz FBQKZUFEQMODCH-HZPDHXFCSA-N 2 2 332.448 1.419 10 0 EDAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)[nH+]1 ZINC000247291483 139143712 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442457899 /nfs/dbraw/zinc/45/78/99/442457899.db2.gz QLSUNMDRJAJBSP-SJORKVTESA-N 2 2 338.496 1.080 10 0 EDAELP Cc1ncc(C[NH+]2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)s1 ZINC000134028828 442446704 /nfs/dbraw/zinc/44/67/04/442446704.db2.gz BKLJGVMXIGQEAL-CYBMUJFWSA-N 2 2 340.518 1.191 10 0 EDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000178887163 442514520 /nfs/dbraw/zinc/51/45/20/442514520.db2.gz KTEQVWYEVLFIPV-UHFFFAOYSA-N 2 2 341.459 1.454 10 0 EDAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCOC)C12CCOCC2 ZINC000249036704 442945994 /nfs/dbraw/zinc/94/59/94/442945994.db2.gz UFJJKQRFTBAKAU-BRWVUGGUSA-N 2 2 326.481 1.661 10 0 EDAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCOC)C12CCOCC2 ZINC000249036704 442945999 /nfs/dbraw/zinc/94/59/99/442945999.db2.gz UFJJKQRFTBAKAU-BRWVUGGUSA-N 2 2 326.481 1.661 10 0 EDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638834252 451705174 /nfs/dbraw/zinc/70/51/74/451705174.db2.gz DJSHKASUKCWQSG-FVQBIDKESA-N 2 2 337.414 1.868 10 0 EDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638834252 451705176 /nfs/dbraw/zinc/70/51/76/451705176.db2.gz DJSHKASUKCWQSG-FVQBIDKESA-N 2 2 337.414 1.868 10 0 EDAELP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000195515957 534980392 /nfs/dbraw/zinc/98/03/92/534980392.db2.gz BLIIHPABQSGDPK-ZDUSSCGKSA-N 2 2 331.420 1.146 10 0 EDAELP CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000195515957 534980397 /nfs/dbraw/zinc/98/03/97/534980397.db2.gz BLIIHPABQSGDPK-ZDUSSCGKSA-N 2 2 331.420 1.146 10 0 EDAELP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246473024 535189103 /nfs/dbraw/zinc/18/91/03/535189103.db2.gz QTVHTJSNDAPFBB-DLBZAZTESA-N 2 2 338.496 1.223 10 0 EDAELP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246473024 535189108 /nfs/dbraw/zinc/18/91/08/535189108.db2.gz QTVHTJSNDAPFBB-DLBZAZTESA-N 2 2 338.496 1.223 10 0 EDAELP CC1(C)C[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000261904603 535352511 /nfs/dbraw/zinc/35/25/11/535352511.db2.gz WWWGEJOSYQWTCT-AEFFLSMTSA-N 2 2 344.503 1.688 10 0 EDAELP CC1(C)C[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000261904603 535352513 /nfs/dbraw/zinc/35/25/13/535352513.db2.gz WWWGEJOSYQWTCT-AEFFLSMTSA-N 2 2 344.503 1.688 10 0 EDAELP C[NH+](C)Cc1cc(O[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)ccn1 ZINC000888103201 591031400 /nfs/dbraw/zinc/03/14/00/591031400.db2.gz ONRYYKPFQZGZIG-KRWDZBQOSA-N 2 2 343.431 1.479 10 0 EDAELP C[NH+](C)Cc1cc(O[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)ccn1 ZINC000888103201 591031405 /nfs/dbraw/zinc/03/14/05/591031405.db2.gz ONRYYKPFQZGZIG-KRWDZBQOSA-N 2 2 343.431 1.479 10 0 EDAELP