smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc(C[N@H+]2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cn1 ZINC001529113539 1121321905 /nfs/dbraw/zinc/32/19/05/1121321905.db2.gz GBIDAXINAOYFBA-XLIONFOSSA-N 1 1 336.439 2.487 50 0 EEAAMO O[C@@H]1C[N@@H+](CCCn2cccn2)C[C@H]1Cc1ccc2ccccc2n1 ZINC001529142227 1121338598 /nfs/dbraw/zinc/33/85/98/1121338598.db2.gz HXEDISRBNNTLDU-YLJYHZDGSA-N 1 1 336.439 2.357 50 0 EEAAMO Cc1nc2ccsc2c(N2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000091594664 282094504 /nfs/dbraw/zinc/09/45/04/282094504.db2.gz FLASGYUDYLAPLL-OAHLLOKOSA-N 1 1 345.516 2.464 50 0 EEAAMO Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685940949 539989250 /nfs/dbraw/zinc/98/92/50/539989250.db2.gz LNNMFKSZZKUMNI-KSSFIOAISA-N 1 1 327.432 2.277 50 0 EEAAMO OCC[C@H]1C[N@H+](C2CCSCC2)CCN1CCc1ccccc1 ZINC000019792682 202020991 /nfs/dbraw/zinc/02/09/91/202020991.db2.gz GNEVDIPUCCLAMV-IBGZPJMESA-N 1 1 334.529 2.493 50 0 EEAAMO OCC[C@H]1CN(C2CCSCC2)CC[N@@H+]1CCc1ccccc1 ZINC000019792682 202020995 /nfs/dbraw/zinc/02/09/95/202020995.db2.gz GNEVDIPUCCLAMV-IBGZPJMESA-N 1 1 334.529 2.493 50 0 EEAAMO OCC[C@H]1CN(C2CCSCC2)CC[N@H+]1CCc1ccccc1 ZINC000019792682 202020999 /nfs/dbraw/zinc/02/09/99/202020999.db2.gz GNEVDIPUCCLAMV-IBGZPJMESA-N 1 1 334.529 2.493 50 0 EEAAMO COC(=O)[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000019848639 202024304 /nfs/dbraw/zinc/02/43/04/202024304.db2.gz YLVUOLSYKFPIQI-SFHVURJKSA-N 1 1 344.455 2.310 50 0 EEAAMO CC(C)=CC[N@H+]1CCN(Cc2cccc3nccnc23)C[C@@H]1CCO ZINC000020451220 202042889 /nfs/dbraw/zinc/04/28/89/202042889.db2.gz WEWSHWSUAWHDDR-SFHVURJKSA-N 1 1 340.471 2.465 50 0 EEAAMO CC(C)=CCN1CC[N@H+](Cc2cccc3nccnc23)C[C@@H]1CCO ZINC000020451220 202042892 /nfs/dbraw/zinc/04/28/92/202042892.db2.gz WEWSHWSUAWHDDR-SFHVURJKSA-N 1 1 340.471 2.465 50 0 EEAAMO CC(C)=CCN1CC[N@@H+](Cc2cccc3nccnc23)C[C@@H]1CCO ZINC000020451220 202042894 /nfs/dbraw/zinc/04/28/94/202042894.db2.gz WEWSHWSUAWHDDR-SFHVURJKSA-N 1 1 340.471 2.465 50 0 EEAAMO Cc1ccc(NC(=O)CCc2nc(C3=CC[N@@H+](C)CC3)no2)nc1 ZINC000020901772 202057085 /nfs/dbraw/zinc/05/70/85/202057085.db2.gz KNWZBYKFNZDJGN-UHFFFAOYSA-N 1 1 327.388 2.063 50 0 EEAAMO Cc1cc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)no1 ZINC000023355092 202103691 /nfs/dbraw/zinc/10/36/91/202103691.db2.gz BFIBTGCFULRKED-UHFFFAOYSA-N 1 1 328.416 2.129 50 0 EEAAMO C[C@H](c1ccccc1)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000024686441 202119140 /nfs/dbraw/zinc/11/91/40/202119140.db2.gz AONCGJVWTHJQOV-CQSZACIVSA-N 1 1 334.441 2.406 50 0 EEAAMO Cc1cc(NC(=O)CN2CCC[N@@H+](Cc3cccs3)CC2)on1 ZINC000030212316 202193581 /nfs/dbraw/zinc/19/35/81/202193581.db2.gz NDMCJGQAEMWNEK-UHFFFAOYSA-N 1 1 334.445 2.191 50 0 EEAAMO CC[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1cccc(F)c1 ZINC000032738520 202232067 /nfs/dbraw/zinc/23/20/67/202232067.db2.gz SFFIRDLTIXGBAO-UHFFFAOYSA-N 1 1 342.374 2.456 50 0 EEAAMO CC[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1cccc(F)c1 ZINC000032738520 202232070 /nfs/dbraw/zinc/23/20/70/202232070.db2.gz SFFIRDLTIXGBAO-UHFFFAOYSA-N 1 1 342.374 2.456 50 0 EEAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)C2CCCCC2)ncn1 ZINC000072434126 216229239 /nfs/dbraw/zinc/22/92/39/216229239.db2.gz UTGXCAPJNJCICJ-UHFFFAOYSA-N 1 1 328.420 2.079 50 0 EEAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cccn3cnnc23)C1 ZINC000426634102 241319338 /nfs/dbraw/zinc/31/93/38/241319338.db2.gz DRILEGCNDJDAMF-MRXNPFEDSA-N 1 1 349.438 2.257 50 0 EEAAMO Cc1ccc(CCNC(=O)N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)cc1 ZINC000426425465 241285888 /nfs/dbraw/zinc/28/58/88/241285888.db2.gz OXKQIFXUEZCAJY-LJQANCHMSA-N 1 1 345.487 2.026 50 0 EEAAMO Cc1[nH+]ccn1CCNC(=O)N1CCC([C@H](O)c2cccs2)CC1 ZINC000426537848 241305985 /nfs/dbraw/zinc/30/59/85/241305985.db2.gz ZPDBDDNCIAYGNV-INIZCTEOSA-N 1 1 348.472 2.408 50 0 EEAAMO O=C(NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(O)CC1 ZINC000426584169 241312713 /nfs/dbraw/zinc/31/27/13/241312713.db2.gz 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204252565 /nfs/dbraw/zinc/25/25/65/204252565.db2.gz MRXLZHRIPCXRHN-HNNXBMFYSA-N 1 1 330.432 2.266 50 0 EEAAMO CC(C)c1ccnc(N2CC[N@@H+](Cc3ccco3)[C@@H](CCO)C2)n1 ZINC000108045634 204252569 /nfs/dbraw/zinc/25/25/69/204252569.db2.gz MRXLZHRIPCXRHN-HNNXBMFYSA-N 1 1 330.432 2.266 50 0 EEAAMO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000130567750 205246529 /nfs/dbraw/zinc/24/65/29/205246529.db2.gz ZQFPIBIOYYRZQZ-GWCFXTLKSA-N 1 1 336.342 2.149 50 0 EEAAMO CC(C)C[N@H+]1CCCC[C@H]1CCNC(=O)c1cccn2cnnc12 ZINC000299758883 258076671 /nfs/dbraw/zinc/07/66/71/258076671.db2.gz LHWNUFUUANUXFX-HNNXBMFYSA-N 1 1 329.448 2.360 50 0 EEAAMO Cc1ccc(NC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)cc1C ZINC000021638007 135724443 /nfs/dbraw/zinc/72/44/43/135724443.db2.gz PODMXKUXDPIPFY-UHFFFAOYSA-N 1 1 339.443 2.406 50 0 EEAAMO C[N@H+]1CCCN(C(=O)c2ccccc2I)CC1 ZINC000003258780 277050984 /nfs/dbraw/zinc/05/09/84/277050984.db2.gz LYNCIXXSVWKSPO-UHFFFAOYSA-N 1 1 344.196 2.069 50 0 EEAAMO 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Cc1[nH]c2c(cccc2F)c1CC(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000091321638 462872841 /nfs/dbraw/zinc/87/28/41/462872841.db2.gz VRXRUVRCNMCRCV-AWEZNQCLSA-N 1 1 347.434 2.121 50 0 EEAAMO CCC[NH+]1CCC(N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)CC1 ZINC000015065084 462939807 /nfs/dbraw/zinc/93/98/07/462939807.db2.gz HLPGWAKJLFHXIU-SFHVURJKSA-N 1 1 333.451 2.391 50 0 EEAAMO Cc1ccccc1[C@H](C(=O)N1CCC2(CN(C)C(=O)O2)CC1)[NH+](C)C ZINC000077356357 462973450 /nfs/dbraw/zinc/97/34/50/462973450.db2.gz SUJSCHHUOSAGPO-MRXNPFEDSA-N 1 1 345.443 2.041 50 0 EEAAMO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000016662922 462986783 /nfs/dbraw/zinc/98/67/83/462986783.db2.gz KKQUFHWBMHAPEM-JTQLQIEISA-N 1 1 327.222 2.155 50 0 EEAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000016662922 462986786 /nfs/dbraw/zinc/98/67/86/462986786.db2.gz KKQUFHWBMHAPEM-JTQLQIEISA-N 1 1 327.222 2.155 50 0 EEAAMO Cn1ccnc1C[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000067458838 463006833 /nfs/dbraw/zinc/00/68/33/463006833.db2.gz QONUPLDAOQRWLR-AWEZNQCLSA-N 1 1 337.427 2.153 50 0 EEAAMO Cn1ccnc1C[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000067458838 463006835 /nfs/dbraw/zinc/00/68/35/463006835.db2.gz QONUPLDAOQRWLR-AWEZNQCLSA-N 1 1 337.427 2.153 50 0 EEAAMO Cc1[nH]nc(CCC[NH+]2CCN(c3nc(C)cnc3C)CC2)c1C ZINC000019223184 463016447 /nfs/dbraw/zinc/01/64/47/463016447.db2.gz SYDUANVPRLMQIX-UHFFFAOYSA-N 1 1 328.464 2.188 50 0 EEAAMO Nc1cc(N2CCC[C@](CO)(CCOc3ccccc3)C2)nc[nH+]1 ZINC000067872519 463060783 /nfs/dbraw/zinc/06/07/83/463060783.db2.gz GUEKUKBEEYRCGR-SFHVURJKSA-N 1 1 328.416 2.107 50 0 EEAAMO CC(C)[C@@H](CNc1ccc2nnnn2n1)[N@H+]1CCc2ccccc2C1 ZINC000026727867 463170552 /nfs/dbraw/zinc/17/05/52/463170552.db2.gz FOFFKEHRRSOIMD-MRXNPFEDSA-N 1 1 337.431 2.014 50 0 EEAAMO CCCCSC[C@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000136528820 463243656 /nfs/dbraw/zinc/24/36/56/463243656.db2.gz VVCPVDOFZBZVID-ARFHVFGLSA-N 1 1 336.501 2.162 50 0 biogenic EEAAMO CC[C@H]1CN(c2nc(N)c(C)c[nH+]2)CCC(=O)N1Cc1ccccc1 ZINC000071748015 463420900 /nfs/dbraw/zinc/42/09/00/463420900.db2.gz MCBDTEJWNMYBPL-INIZCTEOSA-N 1 1 339.443 2.385 50 0 EEAAMO CC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000105678688 463459793 /nfs/dbraw/zinc/45/97/93/463459793.db2.gz ZDMOGNZDQNKPLL-UONOGXRCSA-N 1 1 338.473 2.430 50 0 EEAAMO CC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000105678688 463459797 /nfs/dbraw/zinc/45/97/97/463459797.db2.gz ZDMOGNZDQNKPLL-UONOGXRCSA-N 1 1 338.473 2.430 50 0 EEAAMO Cc1ccc[nH+]c1N1CCN(C(=O)CCc2cn3ccccc3n2)CC1 ZINC000082160586 463520431 /nfs/dbraw/zinc/52/04/31/463520431.db2.gz KYQSRUKMSFMDFW-UHFFFAOYSA-N 1 1 349.438 2.319 50 0 EEAAMO Cc1cnn(C[C@H]2CCC[N@H+]2C[C@@H](O)COCc2cccs2)c1 ZINC000106785796 463534874 /nfs/dbraw/zinc/53/48/74/463534874.db2.gz KKKXQPQEGUDWOK-HZPDHXFCSA-N 1 1 335.473 2.295 50 0 EEAAMO COc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cc2c1OCCO2 ZINC000106779034 463535207 /nfs/dbraw/zinc/53/52/07/463535207.db2.gz HRLNOKMLZIROPP-LSDHHAIUSA-N 1 1 346.427 2.165 50 0 EEAAMO COc1ncccc1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106830793 463540374 /nfs/dbraw/zinc/54/03/74/463540374.db2.gz VTKBHAYINYLUKD-QLFBSQMISA-N 1 1 348.447 2.196 50 0 EEAAMO COc1ncccc1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106830793 463540378 /nfs/dbraw/zinc/54/03/78/463540378.db2.gz VTKBHAYINYLUKD-QLFBSQMISA-N 1 1 348.447 2.196 50 0 EEAAMO COc1ccc([C@@H]2[C@H](CNC(=O)Cn3cccn3)CCC[N@H+]2C)cc1 ZINC000106912335 463550231 /nfs/dbraw/zinc/55/02/31/463550231.db2.gz ROAVIVWUSHUARJ-QFBILLFUSA-N 1 1 342.443 2.091 50 0 EEAAMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)c2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000106929158 463553266 /nfs/dbraw/zinc/55/32/66/463553266.db2.gz FRRYPYHIMXATNH-MKBNYLNASA-N 1 1 347.286 2.414 50 0 EEAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(F)ccc1Cl ZINC000107060216 463557565 /nfs/dbraw/zinc/55/75/65/463557565.db2.gz RUPZNBUTPKCXFF-ZWNOBZJWSA-N 1 1 334.844 2.440 50 0 EEAAMO C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)CCN1c1nccs1 ZINC000108075604 463589804 /nfs/dbraw/zinc/58/98/04/463589804.db2.gz HVBWPSQIRQIBHZ-NVXWUHKLSA-N 1 1 347.484 2.231 50 0 EEAAMO CCCc1cc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)no1 ZINC000295421351 464827739 /nfs/dbraw/zinc/82/77/39/464827739.db2.gz VXJZUDVBWDKEHJ-UHFFFAOYSA-N 1 1 330.388 2.380 50 0 EEAAMO COc1ccccc1CNC(=O)CC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000252481335 464960928 /nfs/dbraw/zinc/96/09/28/464960928.db2.gz CJDUFOCUHNCPRF-SJLPKXTDSA-N 1 1 332.444 2.345 50 0 EEAAMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(CO)C1 ZINC000307349478 466495498 /nfs/dbraw/zinc/49/54/98/466495498.db2.gz OSEDPPWFWPLARC-QFBILLFUSA-N 1 1 332.444 2.348 50 0 EEAAMO C[C@@H](CCO)C[NH2+]Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC000585136972 468987301 /nfs/dbraw/zinc/98/73/01/468987301.db2.gz ARRVWEABLFHYRV-NSHDSACASA-N 1 1 330.375 2.178 50 0 EEAAMO CCc1csc(CNC(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000670455268 485650325 /nfs/dbraw/zinc/65/03/25/485650325.db2.gz LCBMQIHSBQSACE-CYBMUJFWSA-N 1 1 337.489 2.213 50 0 EEAAMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C1)[C@@H]2O ZINC000242495694 534864592 /nfs/dbraw/zinc/86/45/92/534864592.db2.gz GMERESWKDRCPSN-FVQHAEBGSA-N 1 1 332.444 2.346 50 0 EEAAMO OC[C@@]12C[N@@H+](Cc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]1COCC2 ZINC001772712228 1179304733 /nfs/dbraw/zinc/30/47/33/1179304733.db2.gz KHPFRMBRRIKCKF-CRAIPNDOSA-N 1 1 347.846 2.357 50 0 EEAAMO CC[N@H+]1CCC[C@@H]1CN1CCCN(C(=O)CCc2cccnc2)CC1 ZINC001772807160 1410369280 /nfs/dbraw/zinc/36/92/80/1410369280.db2.gz LCZKRWDADXMMOV-LJQANCHMSA-N 1 1 344.503 2.033 50 0 EEAAMO Cc1ccc(NC(=O)CN(C)C)c(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000952991214 796166693 /nfs/dbraw/zinc/16/66/93/796166693.db2.gz ZXGIRWINEHPJCX-OAHLLOKOSA-N 1 1 346.475 2.166 50 0 EEAAMO Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCCC2)nc(C)n1 ZINC000825264397 800323097 /nfs/dbraw/zinc/32/30/97/800323097.db2.gz BCDPVPJJPROFRK-UHFFFAOYSA-N 1 1 346.475 2.248 50 0 EEAAMO Cc1cc2c(cc1C[N@@H+]1C[C@@H](Cc3ccncc3)[C@H](O)C1)OCO2 ZINC001529152826 1121343765 /nfs/dbraw/zinc/34/37/65/1121343765.db2.gz YPGIFSXFMUYQHS-IAGOWNOFSA-N 1 1 326.396 2.154 50 0 EEAAMO Cc1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(=O)[nH]1 ZINC000092003679 282146774 /nfs/dbraw/zinc/14/67/74/282146774.db2.gz QHKDTPLZCUPDDK-HNNXBMFYSA-N 1 1 344.390 2.024 50 0 EEAAMO Cc1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(=O)[nH]1 ZINC000092003679 282146777 /nfs/dbraw/zinc/14/67/77/282146777.db2.gz QHKDTPLZCUPDDK-HNNXBMFYSA-N 1 1 344.390 2.024 50 0 EEAAMO Cc1[nH+]ccn1CCC(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000055243508 214293870 /nfs/dbraw/zinc/29/38/70/214293870.db2.gz HANMQURAVGZGJK-UHFFFAOYSA-N 1 1 326.444 2.234 50 0 EEAAMO CC(C)C[N@@H+](CCn1c2ccccc2oc1=O)Cc1cnn(C)c1 ZINC000055280983 214300549 /nfs/dbraw/zinc/30/05/49/214300549.db2.gz UMUBHJREJWEENP-UHFFFAOYSA-N 1 1 328.416 2.486 50 0 EEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCCCN1Cc2ccccc2C1=O ZINC000055281736 214300782 /nfs/dbraw/zinc/30/07/82/214300782.db2.gz KBEHBKLXZYGEHJ-QGZVFWFLSA-N 1 1 343.471 2.413 50 0 EEAAMO COC(C[NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)OC ZINC000003412907 210031108 /nfs/dbraw/zinc/03/11/08/210031108.db2.gz BNBDRFFHIGFTOS-UHFFFAOYSA-N 1 1 344.411 2.413 50 0 EEAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@H+](C/C(C)=C/c2ccco2)C1 ZINC000067460304 215149979 /nfs/dbraw/zinc/14/99/79/215149979.db2.gz ONNBLRCPAOZJHV-ATGUSINASA-N 1 1 330.432 2.478 50 0 EEAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@@H+](C/C(C)=C/c2ccco2)C1 ZINC000067460304 215149982 /nfs/dbraw/zinc/14/99/82/215149982.db2.gz ONNBLRCPAOZJHV-ATGUSINASA-N 1 1 330.432 2.478 50 0 EEAAMO CC(C)c1csc(C[N@@H+]2CCC[C@@H](CCNS(C)(=O)=O)C2)n1 ZINC000067885159 215240079 /nfs/dbraw/zinc/24/00/79/215240079.db2.gz OJIIWUGKFMVQFH-ZDUSSCGKSA-N 1 1 345.534 2.418 50 0 EEAAMO CC(C)c1csc(C[N@H+]2CCC[C@@H](CCNS(C)(=O)=O)C2)n1 ZINC000067885159 215240083 /nfs/dbraw/zinc/24/00/83/215240083.db2.gz OJIIWUGKFMVQFH-ZDUSSCGKSA-N 1 1 345.534 2.418 50 0 EEAAMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000067947482 215256391 /nfs/dbraw/zinc/25/63/91/215256391.db2.gz BMFIQSTWAKAHBX-LBPRGKRZSA-N 1 1 325.840 2.126 50 0 EEAAMO CN1CC[N@@H+](C)[C@H](CC(=O)NCc2cc(Cl)ccc2Cl)C1 ZINC000039532467 213240006 /nfs/dbraw/zinc/24/00/06/213240006.db2.gz DTWPPIOSJKYGCK-CYBMUJFWSA-N 1 1 330.259 2.246 50 0 EEAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)NCc1cc(Cl)ccc1Cl ZINC000039532467 213240010 /nfs/dbraw/zinc/24/00/10/213240010.db2.gz DTWPPIOSJKYGCK-CYBMUJFWSA-N 1 1 330.259 2.246 50 0 EEAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)NCc1cc(Cl)ccc1Cl ZINC000039532467 213240012 /nfs/dbraw/zinc/24/00/12/213240012.db2.gz DTWPPIOSJKYGCK-CYBMUJFWSA-N 1 1 330.259 2.246 50 0 EEAAMO CCn1ccnc1CN1CC[N@@H+](Cc2ccccc2C)[C@H](CCO)C1 ZINC000039447585 213236459 /nfs/dbraw/zinc/23/64/59/213236459.db2.gz LNXPBUMGMNBGGZ-LJQANCHMSA-N 1 1 342.487 2.280 50 0 EEAAMO [NH3+]C1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)CC1 ZINC000426661278 241322995 /nfs/dbraw/zinc/32/29/95/241322995.db2.gz ORMSAVZIYOOYRJ-KRWDZBQOSA-N 1 1 334.439 2.095 50 0 EEAAMO 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50 0 EEAAMO NC(=O)CCc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299791508 258097006 /nfs/dbraw/zinc/09/70/06/258097006.db2.gz DGDSMYBUZOVOQC-ZNMIVQPWSA-N 1 1 326.400 2.181 50 0 EEAAMO O[C@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCOCC1 ZINC000025514945 296581342 /nfs/dbraw/zinc/58/13/42/296581342.db2.gz CIEQXPVGNWIUSP-IBGZPJMESA-N 1 1 327.424 2.486 50 0 EEAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccnc1 ZINC000001031209 292354824 /nfs/dbraw/zinc/35/48/24/292354824.db2.gz BAIZBNFYYHPVHK-WMZOPIPTSA-N 1 1 343.452 2.387 50 0 biogenic EEAAMO CCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000426471341 276068959 /nfs/dbraw/zinc/06/89/59/276068959.db2.gz JVJPREPNXGTIQS-OAQYLSRUSA-N 1 1 343.515 2.495 50 0 EEAAMO CCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426471341 276068960 /nfs/dbraw/zinc/06/89/60/276068960.db2.gz JVJPREPNXGTIQS-OAQYLSRUSA-N 1 1 343.515 2.495 50 0 EEAAMO CN1C[C@]2(CCC[N@@H+](Cc3cc(F)ccc3-n3cccn3)C2)OC1=O ZINC000072422220 277207262 /nfs/dbraw/zinc/20/72/62/277207262.db2.gz BGHDJPBREMCNER-SFHVURJKSA-N 1 1 344.390 2.428 50 0 EEAAMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCC(CCn3cccn3)CC2)C1 ZINC000534676174 468273497 /nfs/dbraw/zinc/27/34/97/468273497.db2.gz HTOIVOMOWPTRDP-GOSISDBHSA-N 1 1 347.507 2.427 50 0 EEAAMO c1nc(NCCc2[nH]nc3c2CCCC3)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000045971725 462634223 /nfs/dbraw/zinc/63/42/23/462634223.db2.gz FJZJQFAMNJWHAV-CYBMUJFWSA-N 1 1 326.448 2.200 50 0 EEAAMO CCCC[N@@H+](C)CCNC(=O)Cn1ncc2c1-c1ccccc1OC2 ZINC000006805323 462706567 /nfs/dbraw/zinc/70/65/67/462706567.db2.gz IJVAFILXRNLGKN-UHFFFAOYSA-N 1 1 342.443 2.291 50 0 EEAAMO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccco1 ZINC000007800487 462751995 /nfs/dbraw/zinc/75/19/95/462751995.db2.gz SXFMMSLDDQXXFK-VIFPVBQESA-N 1 1 333.413 2.218 50 0 EEAAMO Cc1cc(C[N@H+]2C[C@@H]3C[NH+](C4CCCC4)C[C@]3(C(=O)[O-])C2)ccc1O ZINC000065373497 462760051 /nfs/dbraw/zinc/76/00/51/462760051.db2.gz SMNYHEHAXRLZPF-OXQOHEQNSA-N 1 1 344.455 2.462 50 0 EEAAMO Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](C4CCCC4)C[C@]3(C(=O)[O-])C2)ccc1O ZINC000065373497 462760057 /nfs/dbraw/zinc/76/00/57/462760057.db2.gz SMNYHEHAXRLZPF-OXQOHEQNSA-N 1 1 344.455 2.462 50 0 EEAAMO Cc1cc(C[NH+]2C[C@@H]3C[N@H+](C4CCCC4)C[C@]3(C(=O)[O-])C2)ccc1O ZINC000065373497 462760061 /nfs/dbraw/zinc/76/00/61/462760061.db2.gz SMNYHEHAXRLZPF-OXQOHEQNSA-N 1 1 344.455 2.462 50 0 EEAAMO CCc1nc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc(C)[nH+]1 ZINC000065380687 462760966 /nfs/dbraw/zinc/76/09/66/462760966.db2.gz KLENPXYJLYGSOI-LSDHHAIUSA-N 1 1 341.411 2.431 50 0 EEAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCc2ccccc2C1 ZINC000008118346 462768757 /nfs/dbraw/zinc/76/87/57/462768757.db2.gz FBRRPCFXGCMPDP-LBPRGKRZSA-N 1 1 336.395 2.242 50 0 EEAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCc2ccccc2C1 ZINC000008118346 462768763 /nfs/dbraw/zinc/76/87/63/462768763.db2.gz FBRRPCFXGCMPDP-LBPRGKRZSA-N 1 1 336.395 2.242 50 0 EEAAMO CC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000065421166 462768963 /nfs/dbraw/zinc/76/89/63/462768963.db2.gz QLHWFVJZNBYILZ-LBPRGKRZSA-N 1 1 327.787 2.018 50 0 EEAAMO CCc1cnc(C)nc1N1CC[N@H+](Cc2ccco2)[C@H](CCO)C1 ZINC000065430772 462770229 /nfs/dbraw/zinc/77/02/29/462770229.db2.gz RPUOCYBYKLPYAS-MRXNPFEDSA-N 1 1 330.432 2.014 50 0 EEAAMO CCc1cnc(C)nc1N1CC[N@@H+](Cc2ccco2)[C@H](CCO)C1 ZINC000065430772 462770232 /nfs/dbraw/zinc/77/02/32/462770232.db2.gz RPUOCYBYKLPYAS-MRXNPFEDSA-N 1 1 330.432 2.014 50 0 EEAAMO CCOCC[NH+]1CCN(CCC(=O)NC2CCCCCCC2)CC1 ZINC000065432958 462770335 /nfs/dbraw/zinc/77/03/35/462770335.db2.gz FOIXSXKSEUBBKN-UHFFFAOYSA-N 1 1 339.524 2.260 50 0 EEAAMO C[NH+]1CCN(c2ccc3nnc(-c4ccccc4Cl)n3n2)CC1 ZINC000009418940 462802278 /nfs/dbraw/zinc/80/22/78/462802278.db2.gz NXEOJLZYZIXGHG-UHFFFAOYSA-N 1 1 328.807 2.197 50 0 EEAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000012745511 462866328 /nfs/dbraw/zinc/86/63/28/462866328.db2.gz YHNSRQDZWIJWBX-KRWDZBQOSA-N 1 1 340.431 2.398 50 0 EEAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCn2cc(-c3nccn3C)nn2)C1 ZINC000091846015 462910509 /nfs/dbraw/zinc/91/05/09/462910509.db2.gz OKOVPCRQFHJBLE-MRXNPFEDSA-N 1 1 336.443 2.477 50 0 EEAAMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000015547547 462955011 /nfs/dbraw/zinc/95/50/11/462955011.db2.gz MHDQXSIIGVADTN-SNVBAGLBSA-N 1 1 349.378 2.445 50 0 EEAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000015547547 462955016 /nfs/dbraw/zinc/95/50/16/462955016.db2.gz MHDQXSIIGVADTN-SNVBAGLBSA-N 1 1 349.378 2.445 50 0 EEAAMO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000015724305 462960952 /nfs/dbraw/zinc/96/09/52/462960952.db2.gz PCGWSIBWCIAUDA-GOSISDBHSA-N 1 1 341.455 2.260 50 0 EEAAMO Cc1nn(CCO)cc1C[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000077288079 462963717 /nfs/dbraw/zinc/96/37/17/462963717.db2.gz OXGFUXUAMRRMMO-QGZVFWFLSA-N 1 1 328.460 2.142 50 0 EEAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cc(C)nc2ccc(C)cc21 ZINC000077322868 462969216 /nfs/dbraw/zinc/96/92/16/462969216.db2.gz LUOHDIYONQQBMC-ROUUACIJSA-N 1 1 327.428 2.301 50 0 EEAAMO O=C(c1ccc2c(c1)OCO2)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000077489096 462995437 /nfs/dbraw/zinc/99/54/37/462995437.db2.gz VPRPUCUQIBNIAI-UHFFFAOYSA-N 1 1 339.395 2.158 50 0 EEAAMO O=C(c1ccc2c(c1)OCO2)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077489096 462995441 /nfs/dbraw/zinc/99/54/41/462995441.db2.gz VPRPUCUQIBNIAI-UHFFFAOYSA-N 1 1 339.395 2.158 50 0 EEAAMO COc1cc2cccnc2c(NC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000095497583 463094481 /nfs/dbraw/zinc/09/44/81/463094481.db2.gz DJCQWCOJIIIRJF-UHFFFAOYSA-N 1 1 344.415 2.087 50 0 EEAAMO CN(C)c1nc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)cs1 ZINC000095502345 463095996 /nfs/dbraw/zinc/09/59/96/463095996.db2.gz NUCJVTMYJLWHLJ-CYBMUJFWSA-N 1 1 348.472 2.331 50 0 EEAAMO CCn1cc(NC(=O)N2CCCC[C@H]2CCn2cc[nH+]c2C)nn1 ZINC000096136803 463184626 /nfs/dbraw/zinc/18/46/26/463184626.db2.gz LZEWAVAOXMWIET-AWEZNQCLSA-N 1 1 331.424 2.280 50 0 EEAAMO CCCCSC[C@@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000136528896 463243742 /nfs/dbraw/zinc/24/37/42/463243742.db2.gz VVCPVDOFZBZVID-XHSDSOJGSA-N 1 1 336.501 2.162 50 0 biogenic EEAAMO Cc1cccc(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000123764824 463366329 /nfs/dbraw/zinc/36/63/29/463366329.db2.gz ASXFITUYHBYVPR-UHFFFAOYSA-N 1 1 338.455 2.460 50 0 EEAAMO COc1cc2ncn(Cc3cn4ccccc4[nH+]3)c(=O)c2cc1OC ZINC000032573375 463382273 /nfs/dbraw/zinc/38/22/73/463382273.db2.gz QKAMXGYRZRAOLI-UHFFFAOYSA-N 1 1 336.351 2.110 50 0 EEAAMO COc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c(OC)c1 ZINC000106661453 463530853 /nfs/dbraw/zinc/53/08/53/463530853.db2.gz CPTOLKNOOVBWFZ-DLBZAZTESA-N 1 1 332.444 2.332 50 0 EEAAMO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CCC(C)CC2)C1 ZINC000106834469 463540917 /nfs/dbraw/zinc/54/09/17/463540917.db2.gz OZRQLVPCERQUBH-SJORKVTESA-N 1 1 337.508 2.118 50 0 EEAAMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sccc2C(N)=O)C1 ZINC000107065417 463557978 /nfs/dbraw/zinc/55/79/78/463557978.db2.gz GHGJYFDUHSHRHE-NXEZZACHSA-N 1 1 327.475 2.001 50 0 EEAAMO C[C@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000107142700 463559422 /nfs/dbraw/zinc/55/94/22/463559422.db2.gz OYCQOAAPQYEGPP-GXFFZTMASA-N 1 1 336.379 2.075 50 0 EEAAMO O=C(C[N@H+]1C[C@@H]2CC[C@H]1C2)NCCc1nccc(-c2ccccc2)n1 ZINC000220201056 464115700 /nfs/dbraw/zinc/11/57/00/464115700.db2.gz JVICAFAUVCOMTI-WBVHZDCISA-N 1 1 336.439 2.287 50 0 EEAAMO O=C(c1sccc1Cl)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000222895958 464134557 /nfs/dbraw/zinc/13/45/57/464134557.db2.gz OSJGJKHDHOZTSF-LBPRGKRZSA-N 1 1 328.865 2.320 50 0 EEAAMO O=C(c1sccc1Cl)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000222895958 464134564 /nfs/dbraw/zinc/13/45/64/464134564.db2.gz OSJGJKHDHOZTSF-LBPRGKRZSA-N 1 1 328.865 2.320 50 0 EEAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCN(c2cccnc2)CC1 ZINC000252509882 464975687 /nfs/dbraw/zinc/97/56/87/464975687.db2.gz YXKCGIGOQKVJDD-OAHLLOKOSA-N 1 1 327.432 2.311 50 0 EEAAMO CN(C(=O)NCCc1csc(-c2ccncc2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000534585018 468265481 /nfs/dbraw/zinc/26/54/81/468265481.db2.gz BAKJQJNUEVMVOW-HNNXBMFYSA-N 1 1 345.472 2.093 50 0 EEAAMO CC(=O)c1c(-c2cccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)c2)cnn1C ZINC000584886280 468955420 /nfs/dbraw/zinc/95/54/20/468955420.db2.gz WDIUPPPVQDYHQV-MRXNPFEDSA-N 1 1 340.427 2.066 50 0 EEAAMO CCC[N@H+]1CCC[C@H](NS(=O)(=O)CCOc2ccc(C)cc2)C1 ZINC000670454624 485649261 /nfs/dbraw/zinc/64/92/61/485649261.db2.gz OJTOPPVQNLUOOC-INIZCTEOSA-N 1 1 340.489 2.168 50 0 EEAAMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC(Oc2ccccc2OC)C1 ZINC000426378217 535505013 /nfs/dbraw/zinc/50/50/13/535505013.db2.gz QLMQIOBHKHIHEP-HNNXBMFYSA-N 1 1 347.459 2.342 50 0 EEAAMO CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000221946928 564116761 /nfs/dbraw/zinc/11/67/61/564116761.db2.gz FFVWKHIFMUYZJY-MSOLQXFVSA-N 1 1 328.460 2.082 50 0 EEAAMO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000221946928 564116762 /nfs/dbraw/zinc/11/67/62/564116762.db2.gz FFVWKHIFMUYZJY-MSOLQXFVSA-N 1 1 328.460 2.082 50 0 EEAAMO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000221946928 564116763 /nfs/dbraw/zinc/11/67/63/564116763.db2.gz FFVWKHIFMUYZJY-MSOLQXFVSA-N 1 1 328.460 2.082 50 0 EEAAMO O=c1cc(C[N@H+]2C[C@@H]3COCC[C@]3(CO)C2)[nH]c2ccc(Cl)cc12 ZINC001772711708 1179305891 /nfs/dbraw/zinc/30/58/91/1179305891.db2.gz JIXAQRPBVONARZ-KZULUSFZSA-N 1 1 348.830 2.012 50 0 EEAAMO CC[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc3nc(C)sc3c2)C1 ZINC000067871478 1250133378 /nfs/dbraw/zinc/13/33/78/1250133378.db2.gz MZIWZUODVUGIIV-GFCCVEGCSA-N 1 1 339.486 2.225 50 0 EEAAMO O=C(NCCc1ncc[nH]1)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000952974732 796117865 /nfs/dbraw/zinc/11/78/65/796117865.db2.gz BMAZXCOUEXCZQJ-QGZVFWFLSA-N 1 1 330.407 2.435 50 0 EEAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CSc1ncccn1 ZINC000821294826 798612242 /nfs/dbraw/zinc/61/22/42/798612242.db2.gz PPYORMJCQFKUDD-CQSZACIVSA-N 1 1 342.468 2.132 50 0 EEAAMO CC(C)c1nc(C[NH+]2CCC(CNC(=O)c3cncn3C)CC2)co1 ZINC000822281430 798650703 /nfs/dbraw/zinc/65/07/03/798650703.db2.gz OAKBKPIRZJZWAW-UHFFFAOYSA-N 1 1 345.447 2.174 50 0 EEAAMO CCc1noc(C)c1C(=O)Nc1cccc(NC(=O)C[NH+](C)C)c1 ZINC000823565421 798748525 /nfs/dbraw/zinc/74/85/25/798748525.db2.gz AYUIPTBDRQOBAQ-UHFFFAOYSA-N 1 1 330.388 2.298 50 0 EEAAMO Cc1ccc(NC(C)(C)C(=O)NCC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC001506412402 1114599716 /nfs/dbraw/zinc/59/97/16/1114599716.db2.gz DFFAIIDIQILAOY-KRWDZBQOSA-N 1 1 346.519 2.328 50 0 EEAAMO COCC[N@H+]1CC[C@H](CNc2cc(C(=O)N3CCCCC3)ccn2)C1 ZINC001529103395 1121316438 /nfs/dbraw/zinc/31/64/38/1121316438.db2.gz AQLHWQMLWJVKHS-MRXNPFEDSA-N 1 1 346.475 2.088 50 0 EEAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNc2nc(N)nc3nc[nH]c32)C1 ZINC001529189322 1121362835 /nfs/dbraw/zinc/36/28/35/1121362835.db2.gz LWMJZYIFIWBOQL-CYBMUJFWSA-N 1 1 337.431 2.097 50 0 EEAAMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000023361001 282082818 /nfs/dbraw/zinc/08/28/18/282082818.db2.gz BEFUEASUOVPZJB-INIZCTEOSA-N 1 1 326.444 2.235 50 0 EEAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC000098211932 219087591 /nfs/dbraw/zinc/08/75/91/219087591.db2.gz OFVIFALLHTVCPU-MRXNPFEDSA-N 1 1 328.416 2.389 50 0 EEAAMO Cc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC000098211932 219087594 /nfs/dbraw/zinc/08/75/94/219087594.db2.gz OFVIFALLHTVCPU-MRXNPFEDSA-N 1 1 328.416 2.389 50 0 EEAAMO C[C@@H]1C[NH+](C[C@H](O)CN2c3cccc4cccc(c34)C2=O)C[C@@H](C)O1 ZINC000066482705 215046075 /nfs/dbraw/zinc/04/60/75/215046075.db2.gz NDGMAOGERDNIFN-FMKPAKJESA-N 1 1 340.423 2.270 50 0 EEAAMO Cc1cnc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000067935195 215255003 /nfs/dbraw/zinc/25/50/03/215255003.db2.gz MAKLXNNQFHPZBO-CQSZACIVSA-N 1 1 328.391 2.176 50 0 EEAAMO CCCC[C@H]1C[N@H+](CC(=O)N2CCC[C@H](O)C2)Cc2ccccc2O1 ZINC000039479193 213238442 /nfs/dbraw/zinc/23/84/42/213238442.db2.gz JPBNFYNGIQDHLE-ROUUACIJSA-N 1 1 346.471 2.423 50 0 EEAAMO CCCC[C@H]1C[N@@H+](CC(=O)N2CCC[C@H](O)C2)Cc2ccccc2O1 ZINC000039479193 213238444 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50 0 EEAAMO c1ccc(N2CC[NH+](CCN3CCO[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000244858508 464462580 /nfs/dbraw/zinc/46/25/80/464462580.db2.gz VMNJFBQHFPUVRI-WOJBJXKFSA-N 1 1 329.488 2.452 50 0 EEAAMO CC(C)C[N@H+]1CCCC[C@@H]1CCNC(=O)c1[nH]nc(N)c1Cl ZINC000223763869 535071420 /nfs/dbraw/zinc/07/14/20/535071420.db2.gz ZJWZXELECOLNQQ-LLVKDONJSA-N 1 1 327.860 2.276 50 0 EEAAMO CC(C)(C)c1cc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)n[nH]1 ZINC000426551384 535107103 /nfs/dbraw/zinc/10/71/03/535107103.db2.gz UZQGZLSZVFARHO-UHFFFAOYSA-N 1 1 342.447 2.134 50 0 EEAAMO CCn1c2ccccc2nc1C[NH+]1CCC2(CN(C)C(=O)O2)CC1 ZINC000215199104 536007325 /nfs/dbraw/zinc/00/73/25/536007325.db2.gz FBHSHWXUVXSXFM-UHFFFAOYSA-N 1 1 328.416 2.473 50 0 EEAAMO COc1cccc(N2CCC(N3CCO[C@H](CC[NH+](C)C)C3)CC2)c1 ZINC000019885300 683518066 /nfs/dbraw/zinc/51/80/66/683518066.db2.gz XNJMIYXGHSOBNH-HXUWFJFHSA-N 1 1 347.503 2.317 50 0 EEAAMO Cc1cc(C(=O)N2CCC[N@@H+](CCc3cccc(C)n3)CC2)no1 ZINC001772700795 1179282028 /nfs/dbraw/zinc/28/20/28/1179282028.db2.gz FNJDKSAGLNYBOW-UHFFFAOYSA-N 1 1 328.416 2.077 50 0 EEAAMO NCc1nnc(N2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001772709837 1179299833 /nfs/dbraw/zinc/29/98/33/1179299833.db2.gz NUJUJNMCYSDJDC-IBGZPJMESA-N 1 1 341.459 2.411 50 0 EEAAMO CC(C)=CC[N@H+]1CCN(Cc2cccc3nonc32)C[C@H]1CCO ZINC000254010959 1217185443 /nfs/dbraw/zinc/18/54/43/1217185443.db2.gz YTHAWSPITRAXOT-MRXNPFEDSA-N 1 1 330.432 2.058 50 0 EEAAMO CC(C)=CCN1CC[N@H+](Cc2cccc3nonc32)C[C@H]1CCO ZINC000254010959 1217185444 /nfs/dbraw/zinc/18/54/44/1217185444.db2.gz YTHAWSPITRAXOT-MRXNPFEDSA-N 1 1 330.432 2.058 50 0 EEAAMO CC(C)=CCN1CC[N@@H+](Cc2cccc3nonc32)C[C@H]1CCO ZINC000254010959 1217185445 /nfs/dbraw/zinc/18/54/45/1217185445.db2.gz YTHAWSPITRAXOT-MRXNPFEDSA-N 1 1 330.432 2.058 50 0 EEAAMO Cc1nc(-c2ccc(C[N@@H+](C)CCn3cccn3)cc2)[nH]c(=O)c1C ZINC000048261862 1316617766 /nfs/dbraw/zinc/61/77/66/1316617766.db2.gz ZUKNTUFTFUDKMQ-UHFFFAOYSA-N 1 1 337.427 2.382 50 0 EEAAMO Cc1cc(C)c2[nH]c(=O)c(CNCC[N@@H+]3CCCC[C@@H]3CO)cc2c1 ZINC000952985528 796149378 /nfs/dbraw/zinc/14/93/78/796149378.db2.gz CAEAAFJJSNWQDZ-GOSISDBHSA-N 1 1 343.471 2.494 50 0 EEAAMO Cc1cc(C)c2[nH]c(=O)c(CNCC[N@H+]3CCCC[C@@H]3CO)cc2c1 ZINC000952985528 796149382 /nfs/dbraw/zinc/14/93/82/796149382.db2.gz CAEAAFJJSNWQDZ-GOSISDBHSA-N 1 1 343.471 2.494 50 0 EEAAMO CC[N@@H+](CCN1CCOCC1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC001506425795 1114603690 /nfs/dbraw/zinc/60/36/90/1114603690.db2.gz HDZIRHNDKOSGBT-UHFFFAOYSA-N 1 1 349.862 2.336 50 0 EEAAMO Cc1ccc2nc(CNc3nc(N4CCC[C@@H](O)C4)cc[nH+]3)cn2c1 ZINC001529152839 1121343100 /nfs/dbraw/zinc/34/31/00/1121343100.db2.gz ZFYPMCUYFLDYCV-OAHLLOKOSA-N 1 1 338.415 2.006 50 0 EEAAMO CCC[C@]1(CO)C[N@H+](Cc2coc3ccccc3c2=O)CC[C@H]1O ZINC001529169346 1121351383 /nfs/dbraw/zinc/35/13/83/1121351383.db2.gz XCQSGRCPLNVGJN-IEBWSBKVSA-N 1 1 331.412 2.138 50 0 EEAAMO CCC[C@]1(CO)C[N@@H+](Cc2coc3ccccc3c2=O)CC[C@H]1O ZINC001529169346 1121351394 /nfs/dbraw/zinc/35/13/94/1121351394.db2.gz XCQSGRCPLNVGJN-IEBWSBKVSA-N 1 1 331.412 2.138 50 0 EEAAMO CCC[C@]1(CO)C[N@H+](Cc2coc3ccccc3c2=O)CC[C@@H]1O ZINC001529186340 1121359819 /nfs/dbraw/zinc/35/98/19/1121359819.db2.gz XCQSGRCPLNVGJN-PKOBYXMFSA-N 1 1 331.412 2.138 50 0 EEAAMO CCC[C@]1(CO)C[N@@H+](Cc2coc3ccccc3c2=O)CC[C@@H]1O ZINC001529186340 1121359829 /nfs/dbraw/zinc/35/98/29/1121359829.db2.gz XCQSGRCPLNVGJN-PKOBYXMFSA-N 1 1 331.412 2.138 50 0 EEAAMO CCc1[nH+]ccn1CCCNC(=O)CC(=O)Nc1ccc(C)cc1 ZINC000055385958 214315622 /nfs/dbraw/zinc/31/56/22/214315622.db2.gz IEXXYJWNMBEYHT-UHFFFAOYSA-N 1 1 328.416 2.289 50 0 EEAAMO CCC(CC)n1ncc(C)c1NC(=O)C[C@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000055167192 282303302 /nfs/dbraw/zinc/30/33/02/282303302.db2.gz ZHCSKKXTZDNPKK-HNNXBMFYSA-N 1 1 349.479 2.090 50 0 EEAAMO CCC(CC)n1ncc(C)c1NC(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C ZINC000055167192 282303307 /nfs/dbraw/zinc/30/33/07/282303307.db2.gz ZHCSKKXTZDNPKK-HNNXBMFYSA-N 1 1 349.479 2.090 50 0 EEAAMO Cc1cc(C)c(C(=O)NCC[C@@H]2CCC[N@H+](CC(C)C)C2)c(=O)[nH]1 ZINC000067473280 215151907 /nfs/dbraw/zinc/15/19/07/215151907.db2.gz ZOYJMFORZLEBSB-INIZCTEOSA-N 1 1 333.476 2.480 50 0 EEAAMO Cc1cccc(C[N@H+]2CCC[C@@H](CCNC(=O)c3cncnc3)C2)n1 ZINC000067587512 215165190 /nfs/dbraw/zinc/16/51/90/215165190.db2.gz YBGDGGTWPWKBLL-INIZCTEOSA-N 1 1 339.443 2.212 50 0 EEAAMO CCCc1nc(C(=O)NC[C@@H]2CC[N@H+](C3CCOCC3)C2)cs1 ZINC000067696323 215189194 /nfs/dbraw/zinc/18/91/94/215189194.db2.gz BJGDAEFENNEKQP-ZDUSSCGKSA-N 1 1 337.489 2.326 50 0 EEAAMO CC(C)NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000067739497 215199676 /nfs/dbraw/zinc/19/96/76/215199676.db2.gz SRABCDQLDZTNJQ-MRXNPFEDSA-N 1 1 347.459 2.377 50 0 EEAAMO Cc1cc(C[C@H](C)Nc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)[nH]n1 ZINC000067788870 215213096 /nfs/dbraw/zinc/21/30/96/215213096.db2.gz UKRLTVBYBDRHAP-LBPRGKRZSA-N 1 1 349.442 2.259 50 0 EEAAMO CCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)NC3CCCC3)C2)cn1 ZINC000067820755 215221045 /nfs/dbraw/zinc/22/10/45/215221045.db2.gz NDWFFOMMGCFDNW-HNNXBMFYSA-N 1 1 333.480 2.357 50 0 EEAAMO CC(C)(C)C[N@H+]1CCN(Cc2cccc3c2OCO3)C[C@H]1CCO ZINC000104432076 219385639 /nfs/dbraw/zinc/38/56/39/219385639.db2.gz VNTMIDRCCNNIJJ-MRXNPFEDSA-N 1 1 334.460 2.330 50 0 EEAAMO C[C@@H]1CCC[N@H+](Cc2cn(Cc3cccc(C(=O)N(C)C)c3)nn2)C1 ZINC000685943488 539990196 /nfs/dbraw/zinc/99/01/96/539990196.db2.gz CXWUGHUYDFRUBI-OAHLLOKOSA-N 1 1 341.459 2.260 50 0 EEAAMO C[C@@H]1CCC[N@@H+](Cc2cn(Cc3cccc(C(=O)N(C)C)c3)nn2)C1 ZINC000685943488 539990202 /nfs/dbraw/zinc/99/02/02/539990202.db2.gz CXWUGHUYDFRUBI-OAHLLOKOSA-N 1 1 341.459 2.260 50 0 EEAAMO CCn1cc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)cn1 ZINC000039552580 213240040 /nfs/dbraw/zinc/24/00/40/213240040.db2.gz JQKGKGIHYFVIKA-LJQANCHMSA-N 1 1 334.508 2.352 50 0 EEAAMO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000038419582 213208640 /nfs/dbraw/zinc/20/86/40/213208640.db2.gz JLBLWKBIMHNYQW-LJQANCHMSA-N 1 1 339.439 2.344 50 0 EEAAMO COCC[N@H+](Cc1ccccc1OC)C[C@@H](O)COCC(C)C ZINC000036096183 213062837 /nfs/dbraw/zinc/06/28/37/213062837.db2.gz VAJAIOKYIKVRDD-QGZVFWFLSA-N 1 1 325.449 2.177 50 0 EEAAMO COCCC[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072150183 216038274 /nfs/dbraw/zinc/03/82/74/216038274.db2.gz JHDKEMNRQORMDN-NSISKUIASA-N 1 1 344.455 2.314 50 0 EEAAMO CC(C)c1nc2c(cnn2C)c(N(C)CCCc2[nH+]ccn2C)n1 ZINC000072152933 216041988 /nfs/dbraw/zinc/04/19/88/216041988.db2.gz HZAJTFXALMGEHP-UHFFFAOYSA-N 1 1 327.436 2.289 50 0 EEAAMO COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000072270708 216093174 /nfs/dbraw/zinc/09/31/74/216093174.db2.gz ILNIKWZEZSCIMQ-KRWDZBQOSA-N 1 1 342.443 2.052 50 0 EEAAMO COCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000072270708 216093179 /nfs/dbraw/zinc/09/31/79/216093179.db2.gz ILNIKWZEZSCIMQ-KRWDZBQOSA-N 1 1 342.443 2.052 50 0 EEAAMO c1cncc(C[N@H+]2CCc3ncnc(NC[C@@H]4CCCO4)c3CC2)c1 ZINC000072434289 216229098 /nfs/dbraw/zinc/22/90/98/216229098.db2.gz NOKLZEUAOAYREO-INIZCTEOSA-N 1 1 339.443 2.063 50 0 EEAAMO O=C([C@@H]1[NH2+]CCc2nc[nH]c21)N1CC=C(c2ccc(F)cc2)CC1 ZINC000072469728 216248925 /nfs/dbraw/zinc/24/89/25/216248925.db2.gz GAURXUNQSWMWBI-QGZVFWFLSA-N 1 1 326.375 2.052 50 0 EEAAMO COc1cc(F)c(C[N@H+]2CCC[C@H](c3cc(=O)[nH]cn3)C2)cc1OC ZINC000023543554 212380841 /nfs/dbraw/zinc/38/08/41/212380841.db2.gz SETCJJONILTVNK-LBPRGKRZSA-N 1 1 347.390 2.306 50 0 EEAAMO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCN(C(C)C)C(C)C)cc1 ZINC000023466404 212378235 /nfs/dbraw/zinc/37/82/35/212378235.db2.gz OHXMKMAZFNZBQO-SFHVURJKSA-N 1 1 336.476 2.337 50 0 EEAAMO CC1(C)CC[N@H+](Cc2cn(C3CCN(Cc4ncc[nH]4)CC3)nn2)C1 ZINC000023367399 212371104 /nfs/dbraw/zinc/37/11/04/212371104.db2.gz UAEYIHURPKTAFH-UHFFFAOYSA-N 1 1 343.479 2.070 50 0 EEAAMO CC1(C)CC[N@@H+](Cc2cn(C3CCN(Cc4ncc[nH]4)CC3)nn2)C1 ZINC000023367399 212371107 /nfs/dbraw/zinc/37/11/07/212371107.db2.gz UAEYIHURPKTAFH-UHFFFAOYSA-N 1 1 343.479 2.070 50 0 EEAAMO Cc1ccc(-c2nnn(CN3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000022782838 212323959 /nfs/dbraw/zinc/32/39/59/212323959.db2.gz CETABDZWLGIUFG-UHFFFAOYSA-N 1 1 348.454 2.424 50 0 EEAAMO O[C@@H]1C[C@H]2C[N@H+](Cc3ccc4cc(Cl)ccc4n3)C[C@H]2C[C@@H]1O ZINC000216224028 241174423 /nfs/dbraw/zinc/17/44/23/241174423.db2.gz NGNBCFNVIBLKCM-VUWOVVPOSA-N 1 1 332.831 2.452 50 0 EEAAMO Cn1c(C(=O)NC[C@@H]2COCC[N@@H+](C)C2)cc2c1cccc2Cl ZINC000426523449 241305331 /nfs/dbraw/zinc/30/53/31/241305331.db2.gz KLZPYDKFYVHCOK-LBPRGKRZSA-N 1 1 335.835 2.140 50 0 EEAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccco1 ZINC000021903015 212262675 /nfs/dbraw/zinc/26/26/75/212262675.db2.gz SNUDVWORMICTPB-MRXNPFEDSA-N 1 1 341.411 2.439 50 0 EEAAMO COCc1cccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000021059127 212204358 /nfs/dbraw/zinc/20/43/58/212204358.db2.gz OUNVGESEVBSQBP-HUUCEWRRSA-N 1 1 334.460 2.451 50 0 EEAAMO COc1cc(NC(=O)CCN2CCC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1 ZINC000244707884 243063358 /nfs/dbraw/zinc/06/33/58/243063358.db2.gz KJKJADKWXIUUNW-IBGZPJMESA-N 1 1 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O=C1CCN(CCCC(F)(F)F)CCN1CC[NH+]1CCCCC1 ZINC000299786927 258093676 /nfs/dbraw/zinc/09/36/76/258093676.db2.gz RVKAAXHIQQKFJR-UHFFFAOYSA-N 1 1 335.414 2.349 50 0 EEAAMO CC(C)(C)c1cc(C(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)[nH]c(=O)n1 ZINC000299792564 258097793 /nfs/dbraw/zinc/09/77/93/258097793.db2.gz GFQHWMJZERBPCK-ZDUSSCGKSA-N 1 1 346.475 2.474 50 0 EEAAMO CC(C)[C@H](CNC(=O)c1cc2c(s1)CCC2)[NH+]1CCN(C)CC1 ZINC000040522813 276018145 /nfs/dbraw/zinc/01/81/45/276018145.db2.gz NXLJFYNMDSOVBU-HNNXBMFYSA-N 1 1 335.517 2.239 50 0 EEAAMO CNC(=O)c1cc2c(s1)CCN(C(=O)CC[C@H]1CCCC[N@H+]1C)C2 ZINC000091935036 277015555 /nfs/dbraw/zinc/01/55/55/277015555.db2.gz KJDLLPURLIPCBA-CQSZACIVSA-N 1 1 349.500 2.257 50 0 EEAAMO COc1cccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1OC ZINC000000234588 462550292 /nfs/dbraw/zinc/55/02/92/462550292.db2.gz MCMDFBGSCTVRAS-GOEBONIOSA-N 1 1 340.423 2.485 50 0 biogenic EEAAMO C[C@@H](NC(=O)[C@H](C)Sc1nc(N)cc(N)[nH+]1)c1ccc(F)cc1 ZINC000006533352 462689566 /nfs/dbraw/zinc/68/95/66/462689566.db2.gz LWKKCLNBEURKQO-BDAKNGLRSA-N 1 1 335.408 2.138 50 0 EEAAMO Cc1ccc(NC(=O)NCCNc2cc(N(C)C)[nH+]c(C)n2)cc1 ZINC000065364417 462758382 /nfs/dbraw/zinc/75/83/82/462758382.db2.gz KNMSDMHNWVXWJK-UHFFFAOYSA-N 1 1 328.420 2.393 50 0 EEAAMO O=c1oc2ccccc2n1CC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000065473411 462776460 /nfs/dbraw/zinc/77/64/60/462776460.db2.gz IAYKRGQYSHHJLG-HNNXBMFYSA-N 1 1 338.411 2.424 50 0 EEAAMO COC(=O)c1ccccc1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000008605912 462788901 /nfs/dbraw/zinc/78/89/01/462788901.db2.gz YYNDSGHQZVOVLE-UHFFFAOYSA-N 1 1 329.356 2.309 50 0 EEAAMO O=c1cc(-c2cccnc2)nc(-c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[nH]1 ZINC000048428226 462909405 /nfs/dbraw/zinc/90/94/05/462909405.db2.gz MKBKGGVUXXDBAX-QGZVFWFLSA-N 1 1 348.406 2.066 50 0 EEAAMO CCN(CC)S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000119967390 462946561 /nfs/dbraw/zinc/94/65/61/462946561.db2.gz XFYNQJHFOKJEHF-AWEZNQCLSA-N 1 1 345.534 2.136 50 0 EEAAMO c1coc(-c2cccc(C[NH+]3CCN(CCn4cncn4)CC3)c2)c1 ZINC000077406498 462981038 /nfs/dbraw/zinc/98/10/38/462981038.db2.gz JJLGJRMTCXSQOY-UHFFFAOYSA-N 1 1 337.427 2.356 50 0 EEAAMO CCOC(=O)c1coc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1 ZINC000077518216 462998601 /nfs/dbraw/zinc/99/86/01/462998601.db2.gz ZCJOGACEJPAOJP-UHFFFAOYSA-N 1 1 329.400 2.482 50 0 EEAAMO CCn1ccnc1CN1CC[N@@H+](Cc2ccccc2C)[C@@H](CCO)C1 ZINC000019228435 463015321 /nfs/dbraw/zinc/01/53/21/463015321.db2.gz LNXPBUMGMNBGGZ-IBGZPJMESA-N 1 1 342.487 2.280 50 0 EEAAMO Cc1cccc(N2CCN(C(=O)c3nc4ccccc4c(=O)[nH]3)CC2)[nH+]1 ZINC000020999653 463031969 /nfs/dbraw/zinc/03/19/69/463031969.db2.gz UQMPDMAEQRQYRC-UHFFFAOYSA-N 1 1 349.394 2.001 50 0 EEAAMO COc1ccc(C)cc1C[NH+]1CCN(c2cc(Cl)nc(N)n2)CC1 ZINC000024056653 463077138 /nfs/dbraw/zinc/07/71/38/463077138.db2.gz GZZGBQOFLQGJTK-UHFFFAOYSA-N 1 1 347.850 2.351 50 0 EEAAMO Cc1cc(N2CCC([NH2+]CCc3ccncc3)CC2)nc(N(C)C)n1 ZINC000095512510 463098696 /nfs/dbraw/zinc/09/86/96/463098696.db2.gz UTBOITBNNGUYLL-UHFFFAOYSA-N 1 1 340.475 2.047 50 0 EEAAMO Nc1cc[nH+]c(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 ZINC000095529389 463105755 /nfs/dbraw/zinc/10/57/55/463105755.db2.gz GFMQVZFBFMSJIX-UHFFFAOYSA-N 1 1 335.415 2.083 50 0 EEAAMO Cc1ccc(NC[C@H]2CC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)nc1 ZINC000097200780 463346155 /nfs/dbraw/zinc/34/61/55/463346155.db2.gz UXSAQGAISQPNLR-MRXNPFEDSA-N 1 1 349.438 2.332 50 0 EEAAMO CCOc1ccc(CN2CC[NH+](CCn3cncn3)CC2)cc1Cl ZINC000097213271 463348574 /nfs/dbraw/zinc/34/85/74/463348574.db2.gz AZZPZKHZCWQUIJ-UHFFFAOYSA-N 1 1 349.866 2.148 50 0 EEAAMO Cc1cc(C)cc(OCC[N@H+](C)Cc2cc(=O)n3nccc3[nH]2)c1 ZINC000101025760 463375952 /nfs/dbraw/zinc/37/59/52/463375952.db2.gz XEYLKUNATWIQOZ-UHFFFAOYSA-N 1 1 326.400 2.150 50 0 EEAAMO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000032860387 463398614 /nfs/dbraw/zinc/39/86/14/463398614.db2.gz RNAMBVODEPCWQE-HNNXBMFYSA-N 1 1 343.471 2.328 50 0 EEAAMO COc1coc(C[N@@H+]2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)cc1=O ZINC000071749856 463420416 /nfs/dbraw/zinc/42/04/16/463420416.db2.gz NZWZDLNGJSGSNN-MRXNPFEDSA-N 1 1 348.443 2.117 50 0 EEAAMO COc1coc(C[N@H+]2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)cc1=O ZINC000071749856 463420419 /nfs/dbraw/zinc/42/04/19/463420419.db2.gz NZWZDLNGJSGSNN-MRXNPFEDSA-N 1 1 348.443 2.117 50 0 EEAAMO COc1coc(C[N@@H+]2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)cc1=O ZINC000071749855 463420513 /nfs/dbraw/zinc/42/05/13/463420513.db2.gz NZWZDLNGJSGSNN-INIZCTEOSA-N 1 1 348.443 2.117 50 0 EEAAMO COc1coc(C[N@H+]2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)cc1=O ZINC000071749855 463420516 /nfs/dbraw/zinc/42/05/16/463420516.db2.gz NZWZDLNGJSGSNN-INIZCTEOSA-N 1 1 348.443 2.117 50 0 EEAAMO O=C(c1ccccc1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000082230594 463520845 /nfs/dbraw/zinc/52/08/45/463520845.db2.gz ULJJOVBXOOWPDP-UHFFFAOYSA-N 1 1 337.427 2.039 50 0 EEAAMO C[N@@H+](CC[S@@](=O)c1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106774414 463535233 /nfs/dbraw/zinc/53/52/33/463535233.db2.gz GUVLFUZIHOSQJN-FYSMJZIKSA-N 1 1 344.484 2.185 50 0 EEAAMO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3nc(C4CC4)no3)C2)nn1 ZINC000106774547 463535480 /nfs/dbraw/zinc/53/54/80/463535480.db2.gz VOTRFABYXDDYPW-TZMCWYRMSA-N 1 1 328.420 2.365 50 0 EEAAMO C[C@@H](C(=O)Nc1nncs1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000244734403 464461803 /nfs/dbraw/zinc/46/18/03/464461803.db2.gz NEYMVACEKYKUMB-ZDUSSCGKSA-N 1 1 337.493 2.206 50 0 EEAAMO Cc1[nH+]ccn1CCC(=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244724468 464462085 /nfs/dbraw/zinc/46/20/85/464462085.db2.gz MUTIBWIBGDQABZ-BZSNNMDCSA-N 1 1 327.428 2.080 50 0 EEAAMO C[NH+](C)[C@H]1CCCN(CCN2CCN(c3ccccc3)CC2)CC1 ZINC000252490566 464966218 /nfs/dbraw/zinc/96/62/18/464966218.db2.gz KWYUQUAHIPADNN-IBGZPJMESA-N 1 1 330.520 2.225 50 0 EEAAMO Nc1nc(N2CCC(c3cccc(O)c3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426632915 467144701 /nfs/dbraw/zinc/14/47/01/467144701.db2.gz SKYRDMVLTSAYCA-HNNXBMFYSA-N 1 1 340.427 2.652 50 0 EEAAMO CC[C@H](C[NH+](C)C)NC(=O)N(C)CCc1nc2cccc(C)c2[nH]1 ZINC000584901431 468960148 /nfs/dbraw/zinc/96/01/48/468960148.db2.gz ATKYGJWVLJKOMX-CQSZACIVSA-N 1 1 331.464 2.395 50 0 EEAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000426444502 536371014 /nfs/dbraw/zinc/37/10/14/536371014.db2.gz IUCDNULNXPGTHL-MRXNPFEDSA-N 1 1 334.439 2.142 50 0 EEAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3cccc(OC)c3)C2)C1=O ZINC000015064714 681624280 /nfs/dbraw/zinc/62/42/80/681624280.db2.gz QNXMGQJBDLWWIY-IBGZPJMESA-N 1 1 332.444 2.156 50 0 EEAAMO O=C(C[C@H]1CCCOC1)N1CCC[N@@H+](CCOc2ccccc2)CC1 ZINC000989681876 692160722 /nfs/dbraw/zinc/16/07/22/692160722.db2.gz AOUOVUHNKVUYGI-GOSISDBHSA-N 1 1 346.471 2.416 50 0 EEAAMO CCc1cnc(N)nc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001772704680 1179288820 /nfs/dbraw/zinc/28/88/20/1179288820.db2.gz DNIBTEDTMGRGMI-KRWDZBQOSA-N 1 1 341.459 2.324 50 0 EEAAMO c1nc2c(ncnc2N2C[C@H]3C[NH2+]C[C@@]3(CCc3ccccc3)C2)[nH]1 ZINC001772704304 1179290501 /nfs/dbraw/zinc/29/05/01/1179290501.db2.gz FEATZWZEEDSVEI-BEFAXECRSA-N 1 1 334.427 2.012 50 0 EEAAMO CC(C)C(=O)NC[C@H]1CC[N@@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000067674460 1249904183 /nfs/dbraw/zinc/90/41/83/1249904183.db2.gz DIOYOGHZWNUSQP-CQSZACIVSA-N 1 1 328.416 2.331 50 0 EEAAMO CCc1[nH+]ccn1CCNC(=O)c1cnn(-c2ccccc2OC)c1 ZINC000952970935 796103927 /nfs/dbraw/zinc/10/39/27/796103927.db2.gz XHMXTCZZRWAULQ-UHFFFAOYSA-N 1 1 339.399 2.070 50 0 EEAAMO CC(C)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)OC23CCCCC3)CC1 ZINC000952975619 796118758 /nfs/dbraw/zinc/11/87/58/796118758.db2.gz FTVLDAKKRCFJRA-MRXNPFEDSA-N 1 1 336.476 2.443 50 0 EEAAMO CCc1[nH+]ccn1CCC(=O)Nc1ccc(NC(=O)COC)c(C)c1 ZINC000952980448 796129193 /nfs/dbraw/zinc/12/91/93/796129193.db2.gz KYCWWBSVAHPSHP-UHFFFAOYSA-N 1 1 344.415 2.368 50 0 EEAAMO Cc1cc(S(=O)(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)s1 ZINC000823765939 798763678 /nfs/dbraw/zinc/76/36/78/798763678.db2.gz DURXWOVQBMLTHN-OAHLLOKOSA-N 1 1 328.503 2.471 50 0 EEAAMO CC1=C(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)OCCO1 ZINC000012195999 800126537 /nfs/dbraw/zinc/12/65/37/800126537.db2.gz MJUQCNOFKCQTKW-KRWDZBQOSA-N 1 1 330.428 2.388 50 0 EEAAMO Nc1ncc(C(=O)NCC[N@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000827590670 800489254 /nfs/dbraw/zinc/48/92/54/800489254.db2.gz SPJSNBRTXBLHSR-AWEZNQCLSA-N 1 1 330.457 2.335 50 0 EEAAMO O=C(Cc1ccc(Cl)c(Cl)c1)NCC[N@@H+]1CCCC[C@H]1CO ZINC000828710974 800806545 /nfs/dbraw/zinc/80/65/45/800806545.db2.gz SYJSUHXUCLOXCJ-ZDUSSCGKSA-N 1 1 345.270 2.499 50 0 EEAAMO CS(=O)(=O)C[C@H]1CCC[N@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC001506396593 1114595260 /nfs/dbraw/zinc/59/52/60/1114595260.db2.gz VPQARIWKRSOGEG-HNNXBMFYSA-N 1 1 340.489 2.001 50 0 EEAAMO CCc1[nH]nc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1C ZINC000097813693 219059109 /nfs/dbraw/zinc/05/91/09/219059109.db2.gz ISBJCSJDUDCAAA-UHFFFAOYSA-N 1 1 334.464 2.045 50 0 EEAAMO CCc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCC[N@@H+]3CC)CC2=O)cc1 ZINC000034916316 539331713 /nfs/dbraw/zinc/33/17/13/539331713.db2.gz RFYUJJNFOVGWQR-AEFFLSMTSA-N 1 1 343.471 2.202 50 0 EEAAMO C[N@H+]1CC[C@@H](CNC(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000067562520 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CCCCc1c(C)nc(N)nc1N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000091663527 218042074 /nfs/dbraw/zinc/04/20/74/218042074.db2.gz IHRXYHKUGVTJLJ-MRXNPFEDSA-N 1 1 347.507 2.135 50 0 EEAAMO CCCCc1c(C)nc(N)nc1N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000091663527 218042076 /nfs/dbraw/zinc/04/20/76/218042076.db2.gz IHRXYHKUGVTJLJ-MRXNPFEDSA-N 1 1 347.507 2.135 50 0 EEAAMO Cc1nc(CCNC(=O)[C@H]2CCCCC[N@@H+]2C)nc2c1CCCC2 ZINC000091746855 218058587 /nfs/dbraw/zinc/05/85/87/218058587.db2.gz NNKFGAKKSZSFRS-QGZVFWFLSA-N 1 1 330.476 2.197 50 0 EEAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)NCc1ccc(F)cc1)C2 ZINC000092097803 218118392 /nfs/dbraw/zinc/11/83/92/218118392.db2.gz XTXYYSWXZVYCTG-NVXWUHKLSA-N 1 1 335.423 2.078 50 0 EEAAMO CCOCCn1nc(C)cc1C(=O)N1CC[N@@H+](C(C)C)[C@@H](CC)C1 ZINC000095381038 218313206 /nfs/dbraw/zinc/31/32/06/218313206.db2.gz DMOQSQJKPCKMHS-INIZCTEOSA-N 1 1 336.480 2.173 50 0 EEAAMO CC(C)(NC(=O)[C@H]1CCC[N@H+](C2CCCC2)C1)c1nnc(N)s1 ZINC000095391453 218322343 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Cc1cccc([C@H](C(=O)Nc2ccccc2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000065426409 462768263 /nfs/dbraw/zinc/76/82/63/462768263.db2.gz HGNHLNJRNDAPBL-MRXNPFEDSA-N 1 1 336.399 2.417 50 0 EEAAMO C[C@@H](C[N@H+](C)Cc1cc2c(cc1Cl)OCO2)N1CCOCC1 ZINC000065433071 462770385 /nfs/dbraw/zinc/77/03/85/462770385.db2.gz IFYJFZAEMLCGTC-LBPRGKRZSA-N 1 1 326.824 2.221 50 0 EEAAMO C[C@@H](C[N@@H+](C)Cc1cc2c(cc1Cl)OCO2)N1CCOCC1 ZINC000065433071 462770390 /nfs/dbraw/zinc/77/03/90/462770390.db2.gz IFYJFZAEMLCGTC-LBPRGKRZSA-N 1 1 326.824 2.221 50 0 EEAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N2CCNC2=O)cc1 ZINC000008157059 462770921 /nfs/dbraw/zinc/77/09/21/462770921.db2.gz HHYYOFWCJSYNIT-MRXNPFEDSA-N 1 1 331.416 2.164 50 0 EEAAMO CNC(=O)NC(=O)CC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000012756353 462865770 /nfs/dbraw/zinc/86/57/70/462865770.db2.gz KXCCUZOCXJYVKO-SFHVURJKSA-N 1 1 337.423 2.480 50 0 EEAAMO Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000012985085 462879751 /nfs/dbraw/zinc/87/97/51/462879751.db2.gz SLOVORPNYLZMOH-HNNXBMFYSA-N 1 1 331.460 2.432 50 0 EEAAMO CCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCOCC1)n2C ZINC000013540729 462894268 /nfs/dbraw/zinc/89/42/68/462894268.db2.gz PSVPJUZNECXIHB-UHFFFAOYSA-N 1 1 330.432 2.187 50 0 EEAAMO COc1ccc(COC[C@H](O)C[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000014159963 462914873 /nfs/dbraw/zinc/91/48/73/462914873.db2.gz YAYNJMACJXITMD-DOTOQJQBSA-N 1 1 330.428 2.451 50 0 EEAAMO COc1ccc(COC[C@H](O)C[N@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000014159963 462914879 /nfs/dbraw/zinc/91/48/79/462914879.db2.gz YAYNJMACJXITMD-DOTOQJQBSA-N 1 1 330.428 2.451 50 0 EEAAMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000015099887 462942302 /nfs/dbraw/zinc/94/23/02/462942302.db2.gz POQZGQSDEOFPPR-AWEZNQCLSA-N 1 1 335.448 2.318 50 0 EEAAMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CCN2CCOCC2)cn1 ZINC000077389391 462978685 /nfs/dbraw/zinc/97/86/85/462978685.db2.gz MVLKZGHRZLHOOX-SFHVURJKSA-N 1 1 332.492 2.224 50 0 EEAAMO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCOC[C@@H](CO)C2)n1 ZINC000077454497 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CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCC(=O)Nc1nccs1 ZINC000095529846 463105420 /nfs/dbraw/zinc/10/54/20/463105420.db2.gz GMDORADBBADRFS-LLVKDONJSA-N 1 1 335.433 2.169 50 0 EEAAMO O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000096150162 463187582 /nfs/dbraw/zinc/18/75/82/463187582.db2.gz KWIQEELTPDHKSG-LPHOPBHVSA-N 1 1 329.444 2.233 50 0 EEAAMO O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000096150162 463187587 /nfs/dbraw/zinc/18/75/87/463187587.db2.gz KWIQEELTPDHKSG-LPHOPBHVSA-N 1 1 329.444 2.233 50 0 EEAAMO O=C([O-])[C@]12C[NH+](Cc3ccncc3)C[C@H]1C[N@@H+](C1CCCCC1)C2 ZINC000096150162 463187591 /nfs/dbraw/zinc/18/75/91/463187591.db2.gz KWIQEELTPDHKSG-LPHOPBHVSA-N 1 1 329.444 2.233 50 0 EEAAMO O=C([O-])[C@]12C[NH+](Cc3ccncc3)C[C@H]1C[N@H+](C1CCCCC1)C2 ZINC000096150162 463187596 /nfs/dbraw/zinc/18/75/96/463187596.db2.gz KWIQEELTPDHKSG-LPHOPBHVSA-N 1 1 329.444 2.233 50 0 EEAAMO Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CC[NH+](C)CC2)o1 ZINC000028405215 463224349 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Cc1ccc(-n2cccn2)c(C[N@H+]2CCN(C(C)C)[C@@H](CCO)C2)c1 ZINC000020455032 202042867 /nfs/dbraw/zinc/04/28/67/202042867.db2.gz NTDSUZKFKQXKJH-IBGZPJMESA-N 1 1 342.487 2.458 50 0 EEAAMO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(C(C)C)[C@@H](CCO)C2)c1 ZINC000020455032 202042869 /nfs/dbraw/zinc/04/28/69/202042869.db2.gz NTDSUZKFKQXKJH-IBGZPJMESA-N 1 1 342.487 2.458 50 0 EEAAMO CC(C)/C=C/CN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000022926699 202095046 /nfs/dbraw/zinc/09/50/46/202095046.db2.gz LZMXSOALLRJLGK-XJDXJNMNSA-N 1 1 337.552 2.440 50 0 EEAAMO O=C(CCc1nc2ccccc2o1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023673749 202106897 /nfs/dbraw/zinc/10/68/97/202106897.db2.gz QICKFCVULDDNNX-HNNXBMFYSA-N 1 1 343.427 2.084 50 0 EEAAMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1cccc2ncccc21 ZINC000031821107 202210635 /nfs/dbraw/zinc/21/06/35/202210635.db2.gz HKZRRACGLMXYMQ-SECBINFHSA-N 1 1 340.412 2.309 50 0 EEAAMO CC(=O)c1cccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000032441016 202224806 /nfs/dbraw/zinc/22/48/06/202224806.db2.gz ZDMOGNZDQNKPLL-KGLIPLIRSA-N 1 1 338.473 2.430 50 0 EEAAMO CC(=O)c1cccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000032441016 202224809 /nfs/dbraw/zinc/22/48/09/202224809.db2.gz ZDMOGNZDQNKPLL-KGLIPLIRSA-N 1 1 338.473 2.430 50 0 EEAAMO CC(C)=CC[N@@H+]1CCN(Cc2cc(CC(C)C)n[nH]2)C[C@H]1CCO ZINC000036385629 202323457 /nfs/dbraw/zinc/32/34/57/202323457.db2.gz INSRAIYJOYCLQQ-LJQANCHMSA-N 1 1 334.508 2.443 50 0 EEAAMO CC(C)=CC[N@H+]1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@H]1CCO ZINC000036385629 202323460 /nfs/dbraw/zinc/32/34/60/202323460.db2.gz INSRAIYJOYCLQQ-LJQANCHMSA-N 1 1 334.508 2.443 50 0 EEAAMO CC(C)=CC[N@@H+]1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@H]1CCO ZINC000036385629 202323465 /nfs/dbraw/zinc/32/34/65/202323465.db2.gz INSRAIYJOYCLQQ-LJQANCHMSA-N 1 1 334.508 2.443 50 0 EEAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072433522 216228763 /nfs/dbraw/zinc/22/87/63/216228763.db2.gz YNVFVVVLLPVMSY-ROUUACIJSA-N 1 1 348.487 2.228 50 0 EEAAMO Cc1nn(CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c(C)c1C ZINC000072478563 216257510 /nfs/dbraw/zinc/25/75/10/216257510.db2.gz WSHCDJYZXITDLR-UHFFFAOYSA-N 1 1 340.471 2.461 50 0 EEAAMO Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000072279194 201173342 /nfs/dbraw/zinc/17/33/42/201173342.db2.gz ZCGYLBHHARZHRQ-MSOLQXFVSA-N 1 1 338.455 2.287 50 0 EEAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3ccn(CCO)n3)C2)c(F)c1 ZINC000426728291 241333687 /nfs/dbraw/zinc/33/36/87/241333687.db2.gz OETYRIYNELUCRA-OAHLLOKOSA-N 1 1 333.407 2.403 50 0 EEAAMO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCOc2ccccc21 ZINC000244701130 243060728 /nfs/dbraw/zinc/06/07/28/243060728.db2.gz KASIJGBPHGOARI-AWEZNQCLSA-N 1 1 326.400 2.015 50 0 EEAAMO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCOc2ccccc21 ZINC000244701130 243060732 /nfs/dbraw/zinc/06/07/32/243060732.db2.gz KASIJGBPHGOARI-AWEZNQCLSA-N 1 1 326.400 2.015 50 0 EEAAMO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@H+](C(CO)CO)C1 ZINC000071750191 203106715 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Cc1n[nH]c(CCC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)c1C ZINC000072409810 203217908 /nfs/dbraw/zinc/21/79/08/203217908.db2.gz WYKKIUIUUYHKOZ-UHFFFAOYSA-N 1 1 341.459 2.089 50 0 EEAAMO C[C@@H]1CN(CC2(C[N@H+]3C[C@@H](C)OC(C)(C)C3)COC2)CC(C)(C)O1 ZINC000107139092 204225233 /nfs/dbraw/zinc/22/52/33/204225233.db2.gz LLGSWLRVFCGRLO-HZPDHXFCSA-N 1 1 340.508 2.002 50 0 EEAAMO CNc1nc(NCCNc2ncccc2C)cc([C@H]2CCOC2)[nH+]1 ZINC000299769275 258083240 /nfs/dbraw/zinc/08/32/40/258083240.db2.gz VYPQGLBOVDYCHP-ZDUSSCGKSA-N 1 1 328.420 2.250 50 0 EEAAMO Cc1ccc([C@@H](NC(=O)CC[NH+]2CCOCC2)c2ccncc2)cc1 ZINC000299784724 258092587 /nfs/dbraw/zinc/09/25/87/258092587.db2.gz ZXMQGEYQYVAYBK-HXUWFJFHSA-N 1 1 339.439 2.318 50 0 EEAAMO CO[C@]12CC[N@@H+](Cc3cncn3Cc3ccccc3)[C@H]1C[C@H](O)CC2 ZINC000299788925 258094898 /nfs/dbraw/zinc/09/48/98/258094898.db2.gz UOFOJQJSSAOBJK-HSALFYBXSA-N 1 1 341.455 2.436 50 0 EEAAMO Cc1nccn1CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299796282 258100502 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EEAAMO CC[N@H+](CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000007437600 462735815 /nfs/dbraw/zinc/73/58/15/462735815.db2.gz WKMRLDAPURTUQY-UHFFFAOYSA-N 1 1 343.402 2.403 50 0 EEAAMO CC[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000007437600 462735820 /nfs/dbraw/zinc/73/58/20/462735820.db2.gz WKMRLDAPURTUQY-UHFFFAOYSA-N 1 1 343.402 2.403 50 0 EEAAMO Cc1sc2nc(CC[NH3+])nc(NCCSc3cn[nH]n3)c2c1C ZINC000065373675 462759637 /nfs/dbraw/zinc/75/96/37/462759637.db2.gz SILLGTUJQAYDBH-UHFFFAOYSA-N 1 1 349.489 2.132 50 0 EEAAMO Cc1cc(C[C@H](C)Nc2ncnc3sc4c(c32)CC[NH2+]C4)[nH]n1 ZINC000065382554 462760753 /nfs/dbraw/zinc/76/07/53/462760753.db2.gz BVHBAPMFQGXLCD-VIFPVBQESA-N 1 1 328.445 2.412 50 0 EEAAMO CCC1=NO[C@@H](C[NH2+]CC(=O)Nc2ccc(Cl)c(OC)c2)C1 ZINC000065408205 462766522 /nfs/dbraw/zinc/76/65/22/462766522.db2.gz HBYCFGKDNLZAAV-GFCCVEGCSA-N 1 1 325.796 2.432 50 0 EEAAMO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000010330902 462817227 /nfs/dbraw/zinc/81/72/27/462817227.db2.gz IPPCRTYROLNDIC-HNNXBMFYSA-N 1 1 329.400 2.254 50 0 EEAAMO CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000010330952 462817238 /nfs/dbraw/zinc/81/72/38/462817238.db2.gz CYZNELMJKGLCLS-CQSZACIVSA-N 1 1 347.440 2.359 50 0 EEAAMO COCC[N@H+]1CCC[C@@]2(CCN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC000011664399 462835389 /nfs/dbraw/zinc/83/53/89/462835389.db2.gz JSIFWMOYYOOGQM-LJQANCHMSA-N 1 1 328.460 2.497 50 0 EEAAMO O=C(NC[C@H]1CCC[N@@H+](CCCn2cccn2)C1)c1cccs1 ZINC000012076176 462842723 /nfs/dbraw/zinc/84/27/23/462842723.db2.gz JPCUGNHLBZMYNA-OAHLLOKOSA-N 1 1 332.473 2.477 50 0 EEAAMO Cc1cc(C[N@@H+](C)C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)[nH]n1 ZINC000012194183 462847541 /nfs/dbraw/zinc/84/75/41/462847541.db2.gz VCSMVURYCDSKFL-IBGZPJMESA-N 1 1 348.491 2.084 50 0 EEAAMO Cc1cc(C[N@H+](C)C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)[nH]n1 ZINC000012194183 462847548 /nfs/dbraw/zinc/84/75/48/462847548.db2.gz VCSMVURYCDSKFL-IBGZPJMESA-N 1 1 348.491 2.084 50 0 EEAAMO CCn1cc[nH+]c1N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 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IRCNZSBQFIWLSO-GWCFXTLKSA-N 1 1 343.460 2.440 50 0 EEAAMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ncnc4[nH]cnc43)[C@@H](C)C2)s1 ZINC000106915753 463551243 /nfs/dbraw/zinc/55/12/43/463551243.db2.gz IRCNZSBQFIWLSO-GWCFXTLKSA-N 1 1 343.460 2.440 50 0 EEAAMO CC[C@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)CC[N@H+]1C[C@H](C)O ZINC000107320753 463565312 /nfs/dbraw/zinc/56/53/12/463565312.db2.gz XBTRIQNFVZNJOJ-BBRMVZONSA-N 1 1 348.422 2.153 50 0 EEAAMO C[C@H](CN1CCOCC1)[N@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000108161815 463591476 /nfs/dbraw/zinc/59/14/76/463591476.db2.gz QEFSALNBFGVPOW-GDBMZVCRSA-N 1 1 339.867 2.299 50 0 EEAAMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(-c2ccccc2)n[nH]1 ZINC000108142552 463591516 /nfs/dbraw/zinc/59/15/16/463591516.db2.gz KDOMHARYBXIQLT-HOTGVXAUSA-N 1 1 340.427 2.060 50 0 EEAAMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(-c2ccccc2)n[nH]1 ZINC000108142552 463591521 /nfs/dbraw/zinc/59/15/21/463591521.db2.gz KDOMHARYBXIQLT-HOTGVXAUSA-N 1 1 340.427 2.060 50 0 EEAAMO Cn1c(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)nc2ccccc2c1=O ZINC000108376243 463601497 /nfs/dbraw/zinc/60/14/97/463601497.db2.gz XVWYVCWQGMEKEX-IBGZPJMESA-N 1 1 348.450 2.422 50 0 EEAAMO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC000108469416 463605100 /nfs/dbraw/zinc/60/51/00/463605100.db2.gz BLFYOMQYHOZKJQ-SOUVJXGZSA-N 1 1 327.852 2.481 50 0 EEAAMO COc1cccc(/C(C)=C/C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000110670206 463661773 /nfs/dbraw/zinc/66/17/73/463661773.db2.gz UFKUDKRSTKNMLM-JDZUMMNHSA-N 1 1 330.428 2.078 50 0 EEAAMO CO[C@]12CC[N@H+](Cc3cc[nH]n3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426394728 467141913 /nfs/dbraw/zinc/14/19/13/467141913.db2.gz RIKQMCNFFQDTIV-XYJFISCASA-N 1 1 328.416 2.396 50 0 EEAAMO CO[C@]12CC[N@@H+](Cc3cc[nH]n3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426394728 467141915 /nfs/dbraw/zinc/14/19/15/467141915.db2.gz RIKQMCNFFQDTIV-XYJFISCASA-N 1 1 328.416 2.396 50 0 EEAAMO Cc1n[nH]c(C)c1CCCN(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000534581940 468266033 /nfs/dbraw/zinc/26/60/33/468266033.db2.gz SXGNQEAYGYGDCO-MRXNPFEDSA-N 1 1 347.463 2.496 50 0 EEAAMO COc1ccc2nc(CCNC(=O)c3c(C)cc(C)[nH]c3=O)[nH]c2c1 ZINC000584884048 468954329 /nfs/dbraw/zinc/95/43/29/468954329.db2.gz ZNWGAWCSABGFPN-UHFFFAOYSA-N 1 1 340.383 2.261 50 0 EEAAMO O=C(NC[C@H]1CC[N@H+](C2CCCC2)C1)N1CC(c2ccccn2)C1 ZINC000584887088 468955598 /nfs/dbraw/zinc/95/55/98/468955598.db2.gz RNYTWLIHLIFVJJ-OAHLLOKOSA-N 1 1 328.460 2.455 50 0 EEAAMO CCc1ccccc1NC(=O)CCC(=O)NC[C@]1(C)CC[N@@H+](C)C1 ZINC000670447433 485646122 /nfs/dbraw/zinc/64/61/22/485646122.db2.gz VGZCTIMPDRZALN-IBGZPJMESA-N 1 1 331.460 2.426 50 0 EEAAMO CC(C)(C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1)N1CCOCC1 ZINC000216437358 535076966 /nfs/dbraw/zinc/07/69/66/535076966.db2.gz GJDHJJMFUQMAGC-INIZCTEOSA-N 1 1 343.475 2.020 50 0 EEAAMO CN(Cc1nncn1C)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000095501406 1215430160 /nfs/dbraw/zinc/43/01/60/1215430160.db2.gz MKENBNCPRWVVLR-MRXNPFEDSA-N 1 1 345.466 2.341 50 0 EEAAMO CN1CCC([N@@H+](C)C[C@H]2CC[C@@H](Cc3ccc(CO)cc3)O2)CC1 ZINC000072436555 1253495528 /nfs/dbraw/zinc/49/55/28/1253495528.db2.gz BCIRLWZDRYMLMN-VQTJNVASSA-N 1 1 332.488 2.295 50 0 EEAAMO O=c1cc(-c2cccnc2)nc(-c2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[nH]1 ZINC000048194394 1316602238 /nfs/dbraw/zinc/60/22/38/1316602238.db2.gz MKBKGGVUXXDBAX-KRWDZBQOSA-N 1 1 348.406 2.066 50 0 EEAAMO Cc1cc(=O)c2ccccc2n1CC(=O)N[C@H]1CCC[N@H+]2CCC[C@@H]12 ZINC001772810758 1410369840 /nfs/dbraw/zinc/36/98/40/1410369840.db2.gz KZDFCCRAEXOTDA-WMZOPIPTSA-N 1 1 339.439 2.053 50 0 EEAAMO CN(C[C@]1(C)CC[N@@H+](C)C1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000952974585 796117165 /nfs/dbraw/zinc/11/71/65/796117165.db2.gz FBYYSASUEQZFRO-CQSZACIVSA-N 1 1 334.844 2.441 50 0 EEAAMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3F)C2)nc(C)n1 ZINC000952992044 796135367 /nfs/dbraw/zinc/13/53/67/796135367.db2.gz YKSNTZPNOQHVEO-OAHLLOKOSA-N 1 1 342.418 2.484 50 0 EEAAMO O=C(Cc1ccc(Cl)c(Cl)c1)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000828711101 800806484 /nfs/dbraw/zinc/80/64/84/800806484.db2.gz DLQGXEFMAPVEJF-ZDUSSCGKSA-N 1 1 345.270 2.356 50 0 EEAAMO CS(=O)(=O)Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000097635129 219042960 /nfs/dbraw/zinc/04/29/60/219042960.db2.gz RXVWCRGAEMREGC-UHFFFAOYSA-N 1 1 346.452 2.125 50 0 EEAAMO CCC(=O)c1ccc(OCC(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000055368856 214313316 /nfs/dbraw/zinc/31/33/16/214313316.db2.gz CAYGNNDNLWSMDU-INIZCTEOSA-N 1 1 330.428 2.355 50 0 EEAAMO Cc1cccc(C[N@H+]2CCC[C@H](CCNC(=O)c3cncnc3)C2)n1 ZINC000067587509 215164596 /nfs/dbraw/zinc/16/45/96/215164596.db2.gz YBGDGGTWPWKBLL-MRXNPFEDSA-N 1 1 339.443 2.212 50 0 EEAAMO CC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-n3nc(C)cc3C)c2)C1 ZINC000067842397 215227545 /nfs/dbraw/zinc/22/75/45/215227545.db2.gz SRWRKPZSQZPIFX-GOSISDBHSA-N 1 1 326.444 2.447 50 0 EEAAMO Cc1nnsc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000067855422 215233601 /nfs/dbraw/zinc/23/36/01/215233601.db2.gz OQBRBIDKPKPFLN-GFCCVEGCSA-N 1 1 334.420 2.238 50 0 EEAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1nnc2n1CCCC2 ZINC000067921586 215251843 /nfs/dbraw/zinc/25/18/43/215251843.db2.gz LBUKZTZZIKSBDP-UHFFFAOYSA-N 1 1 336.399 2.039 50 0 EEAAMO CNC(=O)c1ccc(/C=C\C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000103500398 219307904 /nfs/dbraw/zinc/30/79/04/219307904.db2.gz XNSDIUVSPZSZNC-QIENPNARSA-N 1 1 329.444 2.050 50 0 EEAAMO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(C2CC[NH2+]CC2)[nH]1 ZINC000685942608 539990328 /nfs/dbraw/zinc/99/03/28/539990328.db2.gz PPMUWABAJJAPPV-HNNXBMFYSA-N 1 1 342.447 2.194 50 0 EEAAMO O=C1NC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)OC(F)(F)O4)C2)O1 ZINC000072432400 216226483 /nfs/dbraw/zinc/22/64/83/216226483.db2.gz WBFHNMBAPHPHRR-AWEZNQCLSA-N 1 1 326.299 2.083 50 0 EEAAMO O=C1NC[C@]2(CCC[N@H+](Cc3ccc4c(c3)OC(F)(F)O4)C2)O1 ZINC000072432400 216226486 /nfs/dbraw/zinc/22/64/86/216226486.db2.gz WBFHNMBAPHPHRR-AWEZNQCLSA-N 1 1 326.299 2.083 50 0 EEAAMO CCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCOC)C2)[nH]1 ZINC000072468495 216247423 /nfs/dbraw/zinc/24/74/23/216247423.db2.gz NGDZMIQNCLCDJF-DOTOQJQBSA-N 1 1 348.491 2.130 50 0 EEAAMO COc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1O ZINC000022919550 212333884 /nfs/dbraw/zinc/33/38/84/212333884.db2.gz CHFXHZUHYZQQBO-INIZCTEOSA-N 1 1 336.476 2.316 50 0 EEAAMO CCn1ccnc1CN1CC[N@@H+](CCc2ccccc2)[C@H](CCO)C1 ZINC000022851533 212329745 /nfs/dbraw/zinc/32/97/45/212329745.db2.gz KVCPJLNIRYWAIQ-LJQANCHMSA-N 1 1 342.487 2.014 50 0 EEAAMO CC(=O)N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000022197706 212281590 /nfs/dbraw/zinc/28/15/90/212281590.db2.gz FVWISZQNVNUBQI-UHFFFAOYSA-N 1 1 344.242 2.486 50 0 EEAAMO CN(Cc1cscn1)C(=O)NCC[N@@H+](C)CCc1ccccc1 ZINC000426620046 241317189 /nfs/dbraw/zinc/31/71/89/241317189.db2.gz NEWJPDRDUNALMA-UHFFFAOYSA-N 1 1 332.473 2.459 50 0 EEAAMO Cc1cccc(NC(=O)CCc2nc(C3=CC[N@@H+](C)CC3)no2)n1 ZINC000020901727 212184646 /nfs/dbraw/zinc/18/46/46/212184646.db2.gz LDCHLPZVBQKAJC-UHFFFAOYSA-N 1 1 327.388 2.063 50 0 EEAAMO O=C(CCC1CCCC1)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000244659482 243049841 /nfs/dbraw/zinc/04/98/41/243049841.db2.gz HDKBHKOIVJEJBF-QZTJIDSGSA-N 1 1 331.460 2.103 50 0 EEAAMO O=C(CCC1CCCC1)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000244659482 243049850 /nfs/dbraw/zinc/04/98/50/243049850.db2.gz HDKBHKOIVJEJBF-QZTJIDSGSA-N 1 1 331.460 2.103 50 0 EEAAMO CCc1[nH+]ccn1CC(=O)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1 ZINC000244816780 243085633 /nfs/dbraw/zinc/08/56/33/243085633.db2.gz SOEMPDUWUQWNMI-SRBZOADZSA-N 1 1 349.381 2.352 50 0 EEAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)COC ZINC000012386202 211364348 /nfs/dbraw/zinc/36/43/48/211364348.db2.gz LVSCOZLHKBAZTE-GOSISDBHSA-N 1 1 348.487 2.445 50 0 EEAAMO O=C(CC(F)(F)F)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000091391154 218000056 /nfs/dbraw/zinc/00/00/56/218000056.db2.gz IEOXEWFJHNOKGV-UONOGXRCSA-N 1 1 327.350 2.457 50 0 EEAAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)NCCc1cccc(C(F)(F)F)c1 ZINC000091441651 218006484 /nfs/dbraw/zinc/00/64/84/218006484.db2.gz QFPUGXPZIUYRNP-AWEZNQCLSA-N 1 1 340.349 2.404 50 0 EEAAMO Cc1cccc([C@@H](C(=O)N(C)CCN2CCCCC2=O)[NH+](C)C)c1 ZINC000091604325 218031722 /nfs/dbraw/zinc/03/17/22/218031722.db2.gz ATKCBDZDNZFGKQ-SFHVURJKSA-N 1 1 331.460 2.069 50 0 EEAAMO O=C(NCc1ccco1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccn2)C1 ZINC000091755514 218059372 /nfs/dbraw/zinc/05/93/72/218059372.db2.gz XIVPEICOJKQNCY-NVXWUHKLSA-N 1 1 340.427 2.481 50 0 EEAAMO Cc1nn(CCNC(=O)CC[C@H]2CCC[N@H+](C)C2)c(C)c1Cl ZINC000095352736 218287546 /nfs/dbraw/zinc/28/75/46/218287546.db2.gz RSSJNUOFIFBTGV-CQSZACIVSA-N 1 1 326.872 2.392 50 0 EEAAMO O=C(c1c[nH]c(=O)c(Cl)c1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095363821 218297375 /nfs/dbraw/zinc/29/73/75/218297375.db2.gz MZOZHWUHBIILET-UKRRQHHQSA-N 1 1 349.862 2.365 50 0 EEAAMO CCCCSc1nc(N2CCC(c3nncn3C)CC2)cc(N)[nH+]1 ZINC000095386645 218317742 /nfs/dbraw/zinc/31/77/42/218317742.db2.gz XWTLVBAFFOARSU-UHFFFAOYSA-N 1 1 347.492 2.464 50 0 EEAAMO 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COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000095918003 1370030585 /nfs/dbraw/zinc/03/05/85/1370030585.db2.gz MDCRPZPQWWVTKY-HUUCEWRRSA-N 1 1 334.416 2.185 50 0 EEAAMO O=C(CCc1cccc(F)c1)N1CCC[N@@H+](CCc2ncc[nH]2)CC1 ZINC001772805296 1410368320 /nfs/dbraw/zinc/36/83/20/1410368320.db2.gz JMQLYKQZDORIMV-UHFFFAOYSA-N 1 1 344.434 2.258 50 0 EEAAMO CN1C[C@H](C[N@H+]2CCCN(Cc3cccc(F)c3)CC2)CCC1=O ZINC001772811196 1410369679 /nfs/dbraw/zinc/36/96/79/1410369679.db2.gz UKCURYKPUNXPBI-QGZVFWFLSA-N 1 1 333.451 2.202 50 0 EEAAMO Cc1ccc(CC(=O)N2CCC[N@@H+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000981569638 777685480 /nfs/dbraw/zinc/68/54/80/777685480.db2.gz QCUWXPNITNCWFF-IBGZPJMESA-N 1 1 330.472 2.498 50 0 EEAAMO CCCOCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000952973735 796116125 /nfs/dbraw/zinc/11/61/25/796116125.db2.gz VDOBRIYPFKIMIL-UHFFFAOYSA-N 1 1 333.432 2.476 50 0 EEAAMO O=C(/C=C/c1ccco1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000032902627 797647321 /nfs/dbraw/zinc/64/73/21/797647321.db2.gz IVEMTEFDXSZPTL-BQYQJAHWSA-N 1 1 326.396 2.441 50 0 EEAAMO O=C(Nc1ccc2c(c1)C[N@@H+](C1CCOCC1)CC2)[C@H]1CCCO1 ZINC000012028065 799596107 /nfs/dbraw/zinc/59/61/07/799596107.db2.gz ZEJHFYZTMQWARG-GOSISDBHSA-N 1 1 330.428 2.341 50 0 EEAAMO CC(=O)N1CCN(CC2=CCC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000065457519 803247474 /nfs/dbraw/zinc/24/74/74/803247474.db2.gz HQXSVIDDMUBHCI-WEVVVXLNSA-N 1 1 339.483 2.496 50 0 EEAAMO CC(C)C[N@H+]1CCN(C(=O)NCc2cccc(F)c2)C[C@@H]1CCO ZINC001506419610 1114601878 /nfs/dbraw/zinc/60/18/78/1114601878.db2.gz GRMDPKISLJRRRK-KRWDZBQOSA-N 1 1 337.439 2.060 50 0 EEAAMO O=C(C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Nc1nnc([C@@H]2CCCO2)s1 ZINC001529159922 1121347410 /nfs/dbraw/zinc/34/74/10/1121347410.db2.gz UTSHTOKKBUYWRX-XQQFMLRXSA-N 1 1 334.445 2.226 50 0 EEAAMO O=C(C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Nc1nnc([C@@H]2CCCO2)s1 ZINC001529159922 1121347418 /nfs/dbraw/zinc/34/74/18/1121347418.db2.gz UTSHTOKKBUYWRX-XQQFMLRXSA-N 1 1 334.445 2.226 50 0 EEAAMO COc1ccccc1-n1cc(C[N@@H+](C)CC2(CO)CCOCC2)cn1 ZINC000097831120 219058772 /nfs/dbraw/zinc/05/87/72/219058772.db2.gz YPMPERWONDGBKY-UHFFFAOYSA-N 1 1 345.443 2.102 50 0 EEAAMO C/C=C1/C[N@H+]2CC[C@H]1[C@@](CO)(C(=O)OC)c1[nH]c3ccccc3c1C2 ZINC000014827319 539328820 /nfs/dbraw/zinc/32/88/20/539328820.db2.gz JZKSIYFJGCTTET-WPVWGPSVSA-N 1 1 340.423 2.353 50 0 biogenic EEAAMO C/C=C1/C[N@@H+]2CC[C@H]1[C@@](CO)(C(=O)OC)c1[nH]c3ccccc3c1C2 ZINC000014827319 539328823 /nfs/dbraw/zinc/32/88/23/539328823.db2.gz JZKSIYFJGCTTET-WPVWGPSVSA-N 1 1 340.423 2.353 50 0 biogenic EEAAMO Cc1nc(NCCNC(=O)c2ccccc2Cl)cc(N(C)C)[nH+]1 ZINC000067622527 215171109 /nfs/dbraw/zinc/17/11/09/215171109.db2.gz RDYKTRWOTWJJHW-UHFFFAOYSA-N 1 1 333.823 2.346 50 0 EEAAMO CCOCC[N@@H+]1C[C@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@H]2C1 ZINC000067675304 215181764 /nfs/dbraw/zinc/18/17/64/215181764.db2.gz MDHCRHREGSVLRZ-JKSUJKDBSA-N 1 1 338.835 2.424 50 0 EEAAMO CCOCC[N@H+]1C[C@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@H]2C1 ZINC000067675304 215181768 /nfs/dbraw/zinc/18/17/68/215181768.db2.gz MDHCRHREGSVLRZ-JKSUJKDBSA-N 1 1 338.835 2.424 50 0 EEAAMO O=C(CO)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000067678078 215182395 /nfs/dbraw/zinc/18/23/95/215182395.db2.gz NKGAXMVYKVQLPZ-LLVKDONJSA-N 1 1 331.243 2.314 50 0 EEAAMO O=C(CO)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000067678078 215182397 /nfs/dbraw/zinc/18/23/97/215182397.db2.gz NKGAXMVYKVQLPZ-LLVKDONJSA-N 1 1 331.243 2.314 50 0 EEAAMO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](CNC(=O)NC(C)C)C1 ZINC000067740153 215199208 /nfs/dbraw/zinc/19/92/08/215199208.db2.gz DSWRWSBNJIOLQY-OAHLLOKOSA-N 1 1 341.459 2.468 50 0 EEAAMO CC(C)(C(=O)NC[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1)c1ccccc1 ZINC000067769821 215208205 /nfs/dbraw/zinc/20/82/05/215208205.db2.gz YQRQUDKNEYMFOI-HNNXBMFYSA-N 1 1 326.444 2.326 50 0 EEAAMO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1)c1ccccc1 ZINC000067769821 215208215 /nfs/dbraw/zinc/20/82/15/215208215.db2.gz YQRQUDKNEYMFOI-HNNXBMFYSA-N 1 1 326.444 2.326 50 0 EEAAMO CC(C)c1csc(C(=O)N2CCC3(CC2)C[N@@H+](C)CCN3C)n1 ZINC000067847861 215229921 /nfs/dbraw/zinc/22/99/21/215229921.db2.gz JOODPHJCFNWNKU-UHFFFAOYSA-N 1 1 336.505 2.119 50 0 EEAAMO CC(C)c1csc(C(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)n1 ZINC000067847861 215229924 /nfs/dbraw/zinc/22/99/24/215229924.db2.gz JOODPHJCFNWNKU-UHFFFAOYSA-N 1 1 336.505 2.119 50 0 EEAAMO CC(C)c1csc(C(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)n1 ZINC000067847861 215229926 /nfs/dbraw/zinc/22/99/26/215229926.db2.gz JOODPHJCFNWNKU-UHFFFAOYSA-N 1 1 336.505 2.119 50 0 EEAAMO Cn1ccnc1C[N@@H+]1CCC[C@@H](CCNC(=O)NC2CCCC2)C1 ZINC000067851174 215231846 /nfs/dbraw/zinc/23/18/46/215231846.db2.gz IWCJZCMNRFKADT-HNNXBMFYSA-N 1 1 333.480 2.264 50 0 EEAAMO Cn1ccnc1C[N@H+]1CCC[C@@H](CCNC(=O)NC2CCCC2)C1 ZINC000067851174 215231849 /nfs/dbraw/zinc/23/18/49/215231849.db2.gz IWCJZCMNRFKADT-HNNXBMFYSA-N 1 1 333.480 2.264 50 0 EEAAMO COc1ccnc(C[NH+]2CCC(O)(c3ccc(C)cn3)CC2)c1OC ZINC000067955780 215259566 /nfs/dbraw/zinc/25/95/66/215259566.db2.gz WZVMYBGZZCDSKB-UHFFFAOYSA-N 1 1 343.427 2.286 50 0 EEAAMO Cc1ccc2cc(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)c(=O)[nH]c2c1 ZINC000071750057 215806899 /nfs/dbraw/zinc/80/68/99/215806899.db2.gz SWJNHQCCSNUGNU-QGZVFWFLSA-N 1 1 339.439 2.423 50 0 EEAAMO c1cn(-c2ccc(C[NH+]3CCCC3)cc2)c(-c2cc3n(n2)CCNC3)n1 ZINC000072421175 216208906 /nfs/dbraw/zinc/20/89/06/216208906.db2.gz PEUCCAIKBRTNAG-UHFFFAOYSA-N 1 1 348.454 2.435 50 0 EEAAMO Cc1cc(-n2cccn2)ccc1C[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000072474156 216251683 /nfs/dbraw/zinc/25/16/83/216251683.db2.gz KXWWGWIGJJXYBG-IBGZPJMESA-N 1 1 328.460 2.069 50 0 EEAAMO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000072474156 216251686 /nfs/dbraw/zinc/25/16/86/216251686.db2.gz KXWWGWIGJJXYBG-IBGZPJMESA-N 1 1 328.460 2.069 50 0 EEAAMO Cc1ccc(-c2ccccc2C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)o1 ZINC000022920123 212334749 /nfs/dbraw/zinc/33/47/49/212334749.db2.gz NYEQNORZGNIZDA-OALUTQOASA-N 1 1 342.439 2.132 50 0 EEAAMO COc1cccc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)c1OC ZINC000022919058 212334294 /nfs/dbraw/zinc/33/42/94/212334294.db2.gz OFODVSRKABGYNL-KRWDZBQOSA-N 1 1 336.476 2.228 50 0 EEAAMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000022788956 212325082 /nfs/dbraw/zinc/32/50/82/212325082.db2.gz BZHRCULYXFTKJF-LJQANCHMSA-N 1 1 349.434 2.136 50 0 EEAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2[nH]nc3ccccc32)C[C@H](C)O1 ZINC000021063058 212204051 /nfs/dbraw/zinc/20/40/51/212204051.db2.gz WRYWZKHJURTICK-STQMWFEESA-N 1 1 330.432 2.181 50 0 EEAAMO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3nccs3)CC2)cc1 ZINC000020367261 212123201 /nfs/dbraw/zinc/12/32/01/212123201.db2.gz RMVYHUUPUNVVMV-UHFFFAOYSA-N 1 1 330.457 2.208 50 0 EEAAMO COCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000020100587 212100090 /nfs/dbraw/zinc/10/00/90/212100090.db2.gz FSSHAZCSGFOTBZ-UHFFFAOYSA-N 1 1 328.815 2.454 50 0 EEAAMO CN1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)CC1 ZINC000012208970 211320795 /nfs/dbraw/zinc/32/07/95/211320795.db2.gz GTXNUSHFGWVNOM-QGZVFWFLSA-N 1 1 345.487 2.158 50 0 EEAAMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)CC[C@@]1(O)C1CCOCC1 ZINC000091426564 218003971 /nfs/dbraw/zinc/00/39/71/218003971.db2.gz ZMHAVQOPKSKDHL-BEFAXECRSA-N 1 1 333.476 2.147 50 0 EEAAMO CCC[C@H]1C[N@@H+](Cc2cnn(CC)c2)C[C@@H]1NC(=O)C1CCOCC1 ZINC000091574963 218023525 /nfs/dbraw/zinc/02/35/25/218023525.db2.gz AGVDPPKSOJERHP-ROUUACIJSA-N 1 1 348.491 2.046 50 0 EEAAMO C[C@@H]1C[N@@H+](CCC(=O)N2CCc3ccccc3C2)CC[C@@]1(O)C1CC1 ZINC000091691346 218048157 /nfs/dbraw/zinc/04/81/57/218048157.db2.gz YNHTXAVSPIIOAU-IERDGZPVSA-N 1 1 342.483 2.444 50 0 EEAAMO COCC[N@H+]1CCC[C@]2(CCN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC000011664398 211231253 /nfs/dbraw/zinc/23/12/53/211231253.db2.gz JSIFWMOYYOOGQM-IBGZPJMESA-N 1 1 328.460 2.497 50 0 EEAAMO CC(C)n1cnnc1C[NH+]1CCC2(CCC(=O)N(CC3CC3)C2)CC1 ZINC000091964823 218095550 /nfs/dbraw/zinc/09/55/50/218095550.db2.gz MZJXOUVATKUEIX-UHFFFAOYSA-N 1 1 345.491 2.474 50 0 EEAAMO Cc1cc(NC[C@@H](O)C[NH+]2CCCC2)nc(-c2ccccc2O)n1 ZINC000092081534 218117311 /nfs/dbraw/zinc/11/73/11/218117311.db2.gz ZHDQNLBYMOYVNT-CQSZACIVSA-N 1 1 328.416 2.026 50 0 EEAAMO CN(C)[C@H]1C[N@@H+](CCC(=O)N(C)Cc2ccccc2)C[C@@H]1C1CC1 ZINC000092046438 218110961 /nfs/dbraw/zinc/11/09/61/218110961.db2.gz XRUSNXBTKOFQOI-MOPGFXCFSA-N 1 1 329.488 2.307 50 0 EEAAMO CN(Cc1ccccc1)C(=O)CCN1C[C@H]([NH+](C)C)[C@@H](C2CC2)C1 ZINC000092046438 218110962 /nfs/dbraw/zinc/11/09/62/218110962.db2.gz XRUSNXBTKOFQOI-MOPGFXCFSA-N 1 1 329.488 2.307 50 0 EEAAMO COCc1cc(CNC(=O)C2CC[NH+](C3CCCCC3)CC2)n[nH]1 ZINC000095361961 218294059 /nfs/dbraw/zinc/29/40/59/218294059.db2.gz VONVTJRRLIPLSR-UHFFFAOYSA-N 1 1 334.464 2.217 50 0 EEAAMO COc1ccc([C@@H]2C[N@H+](Cc3c[nH]cn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095363012 218295150 /nfs/dbraw/zinc/29/51/50/218295150.db2.gz LEWDIMJTXNREEY-XUVXKRRUSA-N 1 1 338.455 2.481 50 0 EEAAMO COc1ccc([C@@H]2C[N@@H+](Cc3c[nH]cn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095363012 218295153 /nfs/dbraw/zinc/29/51/53/218295153.db2.gz LEWDIMJTXNREEY-XUVXKRRUSA-N 1 1 338.455 2.481 50 0 EEAAMO C[NH+]1CCN(Cc2noc(-c3cc(-c4ccccc4F)[nH]n3)n2)CC1 ZINC000095363758 218297283 /nfs/dbraw/zinc/29/72/83/218297283.db2.gz MDSHGXIHXWKIFV-UHFFFAOYSA-N 1 1 342.378 2.013 50 0 EEAAMO Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1C ZINC000095371358 218303755 /nfs/dbraw/zinc/30/37/55/218303755.db2.gz CCHQOIGCNMEBBS-OAHLLOKOSA-N 1 1 328.464 2.490 50 0 EEAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(F)c1)c1ccsc1 ZINC000008896343 211016119 /nfs/dbraw/zinc/01/61/19/211016119.db2.gz CSLJOZAWECVUSB-CQSZACIVSA-N 1 1 328.434 2.468 50 0 EEAAMO Cc1cc(C)nc(CCNC(=O)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000095382678 218314848 /nfs/dbraw/zinc/31/48/48/218314848.db2.gz NEUFNWHXMGRPNW-GOSISDBHSA-N 1 1 326.444 2.363 50 0 EEAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1c(C)cnn1C(CC)CC ZINC000299785339 258092653 /nfs/dbraw/zinc/09/26/53/258092653.db2.gz XZWLHCPACGPGMB-GJZGRUSLSA-N 1 1 337.468 2.393 50 0 EEAAMO c1c(CNc2cnccn2)nn2c1C[N@@H+](CCc1ccccc1)CC2 ZINC000299790416 258096231 /nfs/dbraw/zinc/09/62/31/258096231.db2.gz BUFRRCUPCJJWRW-UHFFFAOYSA-N 1 1 334.427 2.344 50 0 EEAAMO C[C@H]1C[N@H+](CCNC(=O)/C=C/c2cccnc2)Cc2ccccc2O1 ZINC000299762921 258079384 /nfs/dbraw/zinc/07/93/84/258079384.db2.gz WSNQDPVMDUSDRL-FDMDGMSGSA-N 1 1 337.423 2.494 50 0 EEAAMO C[C@H]1C[N@@H+](CCNC(=O)/C=C/c2cccnc2)Cc2ccccc2O1 ZINC000299762921 258079385 /nfs/dbraw/zinc/07/93/85/258079385.db2.gz WSNQDPVMDUSDRL-FDMDGMSGSA-N 1 1 337.423 2.494 50 0 EEAAMO Cc1ccccc1[C@H](CNc1nc(C)nc2c1CCNC2)[NH+](C)C ZINC000067678305 281384793 /nfs/dbraw/zinc/38/47/93/281384793.db2.gz OHTMKZGWHNFMRT-SFHVURJKSA-N 1 1 325.460 2.454 50 0 EEAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000085879234 462563213 /nfs/dbraw/zinc/56/32/13/462563213.db2.gz JGMZQIFGNWRPLG-OLZOCXBDSA-N 1 1 338.367 2.111 50 0 biogenic EEAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000085879234 462563223 /nfs/dbraw/zinc/56/32/23/462563223.db2.gz JGMZQIFGNWRPLG-OLZOCXBDSA-N 1 1 338.367 2.111 50 0 biogenic EEAAMO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000006872087 462709399 /nfs/dbraw/zinc/70/93/99/462709399.db2.gz NGWGDHVXCUFJHH-XJKSGUPXSA-N 1 1 347.415 2.046 50 0 EEAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCC(Oc2ncccn2)CC1 ZINC000065409411 462766512 /nfs/dbraw/zinc/76/65/12/462766512.db2.gz KIURYDWIRJGHGJ-CQSZACIVSA-N 1 1 343.431 2.428 50 0 EEAAMO CC(C)(C)C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000012708252 462863586 /nfs/dbraw/zinc/86/35/86/462863586.db2.gz GFFOYHFKKMAWAW-HNNXBMFYSA-N 1 1 328.420 2.111 50 0 EEAAMO COc1cc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)ccc1C ZINC000012746468 462866007 /nfs/dbraw/zinc/86/60/07/462866007.db2.gz ICMSMVQERSYHGY-QGZVFWFLSA-N 1 1 334.460 2.480 50 0 EEAAMO CCNc1ncc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000091364805 462875486 /nfs/dbraw/zinc/87/54/86/462875486.db2.gz SBNIRCWSGBQTLE-AWEZNQCLSA-N 1 1 329.404 2.068 50 0 EEAAMO CN(C(=O)Cn1cccn1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014973350 462937258 /nfs/dbraw/zinc/93/72/58/462937258.db2.gz OCNYMRAMABCAGS-IBGZPJMESA-N 1 1 340.471 2.439 50 0 EEAAMO CNC(=O)c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)o1 ZINC000077488190 462993931 /nfs/dbraw/zinc/99/39/31/462993931.db2.gz QWBJMGHHPHQNJE-IBGZPJMESA-N 1 1 345.443 2.006 50 0 EEAAMO O=C1OC2(CN1CCc1ccccc1)CCN(C[C@H]1CC[NH2+]C1)CC2 ZINC000077541318 463003497 /nfs/dbraw/zinc/00/34/97/463003497.db2.gz YPCVMIUXAGPJFF-SFHVURJKSA-N 1 1 343.471 2.125 50 0 EEAAMO COc1ccccc1N1CC[NH+](CCn2c(C)csc2=O)CC1 ZINC000018034310 463004107 /nfs/dbraw/zinc/00/41/07/463004107.db2.gz XARGSLYWDVPFNB-UHFFFAOYSA-N 1 1 333.457 2.049 50 0 EEAAMO Cc1cc(C)n([C@H]2CC[N@@H+](CCn3c4ccccc4oc3=O)C2)n1 ZINC000067726419 463043425 /nfs/dbraw/zinc/04/34/25/463043425.db2.gz UQIOEUPJXDTHGA-HNNXBMFYSA-N 1 1 326.400 2.355 50 0 EEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccccc2OC)n[nH]1 ZINC000095480292 463092981 /nfs/dbraw/zinc/09/29/81/463092981.db2.gz LVHVUOWHLOTTAT-ZDUSSCGKSA-N 1 1 328.416 2.299 50 0 EEAAMO O=C(CC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)Nc1ccccc1 ZINC000026134742 463150973 /nfs/dbraw/zinc/15/09/73/463150973.db2.gz RGEDVCLWPPTESO-KRWDZBQOSA-N 1 1 341.411 2.389 50 0 EEAAMO COc1ccc(NC(=O)NCCNc2[nH+]cccc2C)c(OC)n1 ZINC000096137870 463185020 /nfs/dbraw/zinc/18/50/20/463185020.db2.gz QEMWYHMBBDKGEG-UHFFFAOYSA-N 1 1 331.376 2.036 50 0 EEAAMO C[N@@H+](CCC(=O)Nc1sccc1C(N)=O)Cc1ccccc1F ZINC000028852526 463234259 /nfs/dbraw/zinc/23/42/59/463234259.db2.gz SHUONJJOTIOQOA-UHFFFAOYSA-N 1 1 335.404 2.447 50 0 EEAAMO Cc1ccc(NC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1C ZINC000122307323 463253980 /nfs/dbraw/zinc/25/39/80/463253980.db2.gz OODUZOFDDRSTAW-QGZVFWFLSA-N 1 1 344.459 2.249 50 0 EEAAMO CC(=O)N(C)CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069515595 463265113 /nfs/dbraw/zinc/26/51/13/463265113.db2.gz SOHAFQZGKJQGGN-MOPGFXCFSA-N 1 1 343.471 2.120 50 0 EEAAMO C[NH+](C)[C@@H](CNC(=O)NCc1ccc2c(c1)OCO2)c1ccco1 ZINC000030985829 463319373 /nfs/dbraw/zinc/31/93/73/463319373.db2.gz QCQDWVUYJSDVGN-ZDUSSCGKSA-N 1 1 331.372 2.110 50 0 EEAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(F)cn2)cn1 ZINC000123350979 463334823 /nfs/dbraw/zinc/33/48/23/463334823.db2.gz AZZNUHGEMJBGMC-UHFFFAOYSA-N 1 1 326.335 2.432 50 0 EEAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1)N1CCOCC1 ZINC000032888459 463400126 /nfs/dbraw/zinc/40/01/26/463400126.db2.gz NHMVJLDOVGYAQM-AWEZNQCLSA-N 1 1 345.468 2.367 50 0 EEAAMO CCCc1nnc2sc([C@@H]3CCC[N@H+](C4CCOCC4)C3)nn12 ZINC000071422303 463415960 /nfs/dbraw/zinc/41/59/60/463415960.db2.gz ARQVOXBERCFUSR-GFCCVEGCSA-N 1 1 335.477 2.497 50 0 EEAAMO COc1ccc(/C=C2/NC(=S)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000033493210 463422427 /nfs/dbraw/zinc/42/24/27/463422427.db2.gz PQQMTSHCNWPQES-RVDMUPIBSA-N 1 1 331.441 2.196 50 0 EEAAMO c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](C[C@H]4CCOCO4)C3)n2)cc1 ZINC000108462887 463605290 /nfs/dbraw/zinc/60/52/90/463605290.db2.gz RLPJNZGNEZKVOJ-JKSUJKDBSA-N 1 1 328.416 2.414 50 0 EEAAMO CCc1[nH+]ccn1CC(=O)NCCc1nccc(-c2ccccc2)n1 ZINC000223462094 464143745 /nfs/dbraw/zinc/14/37/45/464143745.db2.gz QEDDHQSXFRZCNJ-UHFFFAOYSA-N 1 1 335.411 2.261 50 0 EEAAMO Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@H]3CCO)C2=O)cc1C ZINC000239309880 464441990 /nfs/dbraw/zinc/44/19/90/464441990.db2.gz HWPWTIFQZHFICX-RDJZCZTQSA-N 1 1 330.428 2.172 50 0 EEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CNC(=O)c1ccccc1 ZINC000253415027 465003439 /nfs/dbraw/zinc/00/34/39/465003439.db2.gz ZKFVQHMXDMZLIC-ZWKOTPCHSA-N 1 1 343.471 2.139 50 0 biogenic EEAAMO Fc1ccc2nc(C[N@H+]3CC[C@H]4OCc5cnnn5[C@H]4C3)ccc2c1 ZINC000299773937 465886540 /nfs/dbraw/zinc/88/65/40/465886540.db2.gz GIIBWJYTANCVHP-ZWKOTPCHSA-N 1 1 339.374 2.311 50 0 EEAAMO CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000534579064 468263906 /nfs/dbraw/zinc/26/39/06/468263906.db2.gz XKQXRFCHLCQWCM-GFCCVEGCSA-N 1 1 335.839 2.452 50 0 EEAAMO CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000534579064 468263914 /nfs/dbraw/zinc/26/39/14/468263914.db2.gz XKQXRFCHLCQWCM-GFCCVEGCSA-N 1 1 335.839 2.452 50 0 EEAAMO CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000534579064 468263920 /nfs/dbraw/zinc/26/39/20/468263920.db2.gz XKQXRFCHLCQWCM-GFCCVEGCSA-N 1 1 335.839 2.452 50 0 EEAAMO Cc1nc(C(F)(F)F)ncc1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000670451578 485648792 /nfs/dbraw/zinc/64/87/92/485648792.db2.gz NIEHWYFVOQVVQT-JTQLQIEISA-N 1 1 326.326 2.302 50 0 EEAAMO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000670468369 485653527 /nfs/dbraw/zinc/65/35/27/485653527.db2.gz LUWNIROIWFPDAQ-CQSZACIVSA-N 1 1 332.473 2.411 50 0 EEAAMO Cc1[nH+]ccn1CC(=O)N1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000023158397 678810298 /nfs/dbraw/zinc/81/02/98/678810298.db2.gz FNBWENPQZSCUDC-UHFFFAOYSA-N 1 1 342.447 2.304 50 0 EEAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](C3CCSCC3)C2)CC1 ZINC000023373910 681383738 /nfs/dbraw/zinc/38/37/38/681383738.db2.gz XJUHLRUDTOAMIU-MRXNPFEDSA-N 1 1 341.521 2.121 50 0 EEAAMO Cc1ccc2n[nH]c(C(=O)NC[C@H]3CC[N@H+](C4CCOCC4)C3)c2c1 ZINC000067692072 1249916790 /nfs/dbraw/zinc/91/67/90/1249916790.db2.gz KXPOZXQQKLDKAT-CQSZACIVSA-N 1 1 342.443 2.102 50 0 EEAAMO Cc1ccc2[nH]nc(C(=O)NC[C@H]3CC[N@@H+](C4CCOCC4)C3)c2c1 ZINC000067692072 1249916801 /nfs/dbraw/zinc/91/68/01/1249916801.db2.gz KXPOZXQQKLDKAT-CQSZACIVSA-N 1 1 342.443 2.102 50 0 EEAAMO Cc1ccc2[nH]nc(C(=O)NC[C@H]3CC[N@H+](C4CCOCC4)C3)c2c1 ZINC000067692072 1249916810 /nfs/dbraw/zinc/91/68/10/1249916810.db2.gz KXPOZXQQKLDKAT-CQSZACIVSA-N 1 1 342.443 2.102 50 0 EEAAMO CCCN1C[C@H](C(=O)N2CCC[N@@H+](CC=C(C)C)CC2)CCC1=O ZINC001772808114 1410368510 /nfs/dbraw/zinc/36/85/10/1410368510.db2.gz ZJOFPSFBMFCKCO-QGZVFWFLSA-N 1 1 335.492 2.136 50 0 EEAAMO C[N@H+]1CCOC2(CCN(C(=O)CCCCc3cccnc3)CC2)C1 ZINC001772806011 1410368776 /nfs/dbraw/zinc/36/87/76/1410368776.db2.gz STRPGGOLGPODIM-UHFFFAOYSA-N 1 1 331.460 2.118 50 0 EEAAMO Cc1ccc(C[N@H+]2C[C@@H]3CN(c4nccs4)C[C@@]3(CO)C2)s1 ZINC001772812112 1410370069 /nfs/dbraw/zinc/37/00/69/1410370069.db2.gz AQTZVGOGXZPBTL-CZUORRHYSA-N 1 1 335.498 2.444 50 0 EEAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)CCc3cccc(F)c3)CC2)cn1 ZINC000105827330 1410558414 /nfs/dbraw/zinc/55/84/14/1410558414.db2.gz KPLLKKFELRWUCH-UHFFFAOYSA-N 1 1 344.434 2.226 50 0 EEAAMO Cn1cc(C[N@H+]2CCCN(C(=O)CCc3cccc(F)c3)CC2)cn1 ZINC000105827330 1410558417 /nfs/dbraw/zinc/55/84/17/1410558417.db2.gz KPLLKKFELRWUCH-UHFFFAOYSA-N 1 1 344.434 2.226 50 0 EEAAMO CCCc1nc(C(=O)N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)cs1 ZINC000952872804 796057514 /nfs/dbraw/zinc/05/75/14/796057514.db2.gz CKWKAQUTCKVTIV-AWEZNQCLSA-N 1 1 339.505 2.260 50 0 EEAAMO Cc1ccc(CN[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)o1 ZINC000952986294 796152222 /nfs/dbraw/zinc/15/22/22/796152222.db2.gz GPMVWSNXTOYCIQ-TWMPVWRBSA-N 1 1 337.467 2.245 50 0 EEAAMO Cc1ccc(CN[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)o1 ZINC000952986294 796152228 /nfs/dbraw/zinc/15/22/28/796152228.db2.gz GPMVWSNXTOYCIQ-TWMPVWRBSA-N 1 1 337.467 2.245 50 0 EEAAMO CCc1c(C(=O)NC2CC2)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000012041298 799656923 /nfs/dbraw/zinc/65/69/23/799656923.db2.gz MGLSDTXCGZICTG-OAHLLOKOSA-N 1 1 331.460 2.096 50 0 EEAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)C(=O)c2cccn2C)C1 ZINC000825235613 800320941 /nfs/dbraw/zinc/32/09/41/800320941.db2.gz PXYYJHBYTFUNTJ-MRXNPFEDSA-N 1 1 339.439 2.122 50 0 EEAAMO CSCc1noc(CN(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)n1 ZINC001529146452 1121340658 /nfs/dbraw/zinc/34/06/58/1121340658.db2.gz ZEARFXJANQEBRV-HNNXBMFYSA-N 1 1 332.473 2.421 50 0 EEAAMO CCCC[N@@H+](C)CCCNC(=O)Cn1c2ccccc2sc1=O ZINC000002601889 539326803 /nfs/dbraw/zinc/32/68/03/539326803.db2.gz FOVXFYNKMOHPDL-UHFFFAOYSA-N 1 1 335.473 2.301 50 0 EEAAMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCC(N)=O ZINC000004488574 210201958 /nfs/dbraw/zinc/20/19/58/210201958.db2.gz YLPDGNYFSRWCIC-UHFFFAOYSA-N 1 1 338.791 2.486 50 0 EEAAMO CCOC(=O)c1cc(NC(=O)C[NH+]2CCCC2)cc(C(=O)OCC)c1 ZINC000003346946 210014196 /nfs/dbraw/zinc/01/41/96/210014196.db2.gz JNHURVWSOLCPSG-UHFFFAOYSA-N 1 1 348.399 2.074 50 0 EEAAMO COCC[N@H+]1CC[C@H](C(=O)N(C)Cc2c[nH]c3ccc(C)cc23)C1 ZINC000067540923 215159470 /nfs/dbraw/zinc/15/94/70/215159470.db2.gz VXALGQVDVFRWHV-HNNXBMFYSA-N 1 1 329.444 2.403 50 0 EEAAMO C=Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccncc3C)C2)cn1 ZINC000067649482 215174217 /nfs/dbraw/zinc/17/42/17/215174217.db2.gz MISAUVDQMNTEJK-INIZCTEOSA-N 1 1 339.443 2.329 50 0 EEAAMO Fc1ccccc1-c1noc2c1C[N@H+](CCN1CCOCC1)CC2 ZINC000067713963 215193227 /nfs/dbraw/zinc/19/32/27/215193227.db2.gz LRXMGSDEYBTQGA-UHFFFAOYSA-N 1 1 331.391 2.171 50 0 EEAAMO Fc1ccccc1-c1noc2c1C[N@@H+](CCN1CCOCC1)CC2 ZINC000067713963 215193230 /nfs/dbraw/zinc/19/32/30/215193230.db2.gz LRXMGSDEYBTQGA-UHFFFAOYSA-N 1 1 331.391 2.171 50 0 EEAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000067772828 215209749 /nfs/dbraw/zinc/20/97/49/215209749.db2.gz UECIVTPSIJEQGH-OAHLLOKOSA-N 1 1 326.444 2.352 50 0 EEAAMO CC(C)c1ncc(C[N@H+]2CC[C@H](CNC(=O)c3ccc[nH]3)C2)cn1 ZINC000067789919 215214299 /nfs/dbraw/zinc/21/42/99/215214299.db2.gz FEJOPODNGZMUJN-CQSZACIVSA-N 1 1 327.432 2.180 50 0 EEAAMO COc1ccc(C(C)C)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000067843582 215228608 /nfs/dbraw/zinc/22/86/08/215228608.db2.gz VXKKUPVVNHLQOF-AWEZNQCLSA-N 1 1 340.489 2.439 50 0 EEAAMO O=c1oc2ccccc2n1CC[N@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000067871582 215235721 /nfs/dbraw/zinc/23/57/21/215235721.db2.gz LUHKZDCRIOHFRO-OAHLLOKOSA-N 1 1 326.400 2.203 50 0 EEAAMO COCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000067907887 215247205 /nfs/dbraw/zinc/24/72/05/215247205.db2.gz KNODULTVTUTCFL-LBPRGKRZSA-N 1 1 330.350 2.290 50 0 EEAAMO Cc1c(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)cnn1C ZINC000039446910 213236969 /nfs/dbraw/zinc/23/69/69/213236969.db2.gz PAGJMFZGLNBBTB-LJQANCHMSA-N 1 1 334.508 2.177 50 0 EEAAMO O=c1c2c[nH]nc2nc(SCC[NH+]2CCCC2)n1-c1ccccc1 ZINC000036646138 213107206 /nfs/dbraw/zinc/10/72/06/213107206.db2.gz VMIOEGLMBJXUEA-UHFFFAOYSA-N 1 1 341.440 2.297 50 0 EEAAMO COc1cc2c(cc1OC)C[C@@H](C(=O)NCCc1ccccc1)[NH2+]C2 ZINC000035939849 213051544 /nfs/dbraw/zinc/05/15/44/213051544.db2.gz MXNLKOQHDWJVIH-KRWDZBQOSA-N 1 1 340.423 2.077 50 0 biogenic EEAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072119562 216013595 /nfs/dbraw/zinc/01/35/95/216013595.db2.gz HZECHWPVAPSZDF-DFQSSKMNSA-N 1 1 338.455 2.486 50 0 EEAAMO Cc1nc[nH]c1CN1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072119562 216013598 /nfs/dbraw/zinc/01/35/98/216013598.db2.gz HZECHWPVAPSZDF-DFQSSKMNSA-N 1 1 338.455 2.486 50 0 EEAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)cc(=O)[nH]1 ZINC000072162166 216050426 /nfs/dbraw/zinc/05/04/26/216050426.db2.gz KEPLVOFNCRDYBF-CYBMUJFWSA-N 1 1 341.440 2.463 50 0 EEAAMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@](O)(CO)CC1 ZINC000072157835 216046486 /nfs/dbraw/zinc/04/64/86/216046486.db2.gz SUCBDBSWGSHLRW-IBGZPJMESA-N 1 1 329.444 2.198 50 0 EEAAMO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072410491 216202327 /nfs/dbraw/zinc/20/23/27/216202327.db2.gz VAJMGAUOCXLLNE-KRWDZBQOSA-N 1 1 340.475 2.186 50 0 EEAAMO Cc1nc2sccn2c1C[NH+]1CCC(n2cc([C@@H](C)O)nn2)CC1 ZINC000023506286 212380759 /nfs/dbraw/zinc/38/07/59/212380759.db2.gz HQNLZPVIZDWRMJ-GFCCVEGCSA-N 1 1 346.460 2.186 50 0 EEAAMO O[C@@H](CN1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000022944404 212337329 /nfs/dbraw/zinc/33/73/29/212337329.db2.gz UPPPVVFXYBFITJ-PMACEKPBSA-N 1 1 326.440 2.071 50 0 EEAAMO CN1CC[N@@H+](Cc2cccc(OCC(N)=O)c2)C[C@@H]1c1ccccc1 ZINC000215063896 241105741 /nfs/dbraw/zinc/10/57/41/241105741.db2.gz RWICFAFHQQLUHG-LJQANCHMSA-N 1 1 339.439 2.039 50 0 EEAAMO C[N@@H+]1CCN(Cc2cccc(OCC(N)=O)c2)C[C@@H]1c1ccccc1 ZINC000215063896 241105747 /nfs/dbraw/zinc/10/57/47/241105747.db2.gz RWICFAFHQQLUHG-LJQANCHMSA-N 1 1 339.439 2.039 50 0 EEAAMO C[N@H+]1CCN(Cc2cccc(OCC(N)=O)c2)C[C@@H]1c1ccccc1 ZINC000215063896 241105752 /nfs/dbraw/zinc/10/57/52/241105752.db2.gz RWICFAFHQQLUHG-LJQANCHMSA-N 1 1 339.439 2.039 50 0 EEAAMO c1cnn(Cc2cccc(C[N@H+]3CCCN(c4ncccn4)CC3)c2)c1 ZINC000215903928 241153491 /nfs/dbraw/zinc/15/34/91/241153491.db2.gz KMMWTMIKLPVBPG-UHFFFAOYSA-N 1 1 348.454 2.434 50 0 EEAAMO C[N@@H+](Cc1cncn1Cc1ccccc1)CC1(CO)CCOCC1 ZINC000244626732 243047530 /nfs/dbraw/zinc/04/75/30/243047530.db2.gz FROSMEUBUOCQEC-UHFFFAOYSA-N 1 1 329.444 2.152 50 0 EEAAMO Cc1nc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(C)s1 ZINC000244872986 243091394 /nfs/dbraw/zinc/09/13/94/243091394.db2.gz WHYJRZXQWDTUSP-MRXNPFEDSA-N 1 1 344.484 2.478 50 0 EEAAMO Cc1nc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(C)s1 ZINC000244872986 243091397 /nfs/dbraw/zinc/09/13/97/243091397.db2.gz WHYJRZXQWDTUSP-MRXNPFEDSA-N 1 1 344.484 2.478 50 0 EEAAMO C[C@H](NC(=O)c1cccnc1)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287866 212116477 /nfs/dbraw/zinc/11/64/77/212116477.db2.gz QXHRALVHENFARW-WMLDXEAASA-N 1 1 344.484 2.250 50 0 EEAAMO COc1ccccc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000019902180 212080499 /nfs/dbraw/zinc/08/04/99/212080499.db2.gz BRRNDUDBTHJTJM-UHFFFAOYSA-N 1 1 345.487 2.375 50 0 EEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000012409792 211371994 /nfs/dbraw/zinc/37/19/94/211371994.db2.gz HLPMFRSGRRAHOU-AWEZNQCLSA-N 1 1 339.399 2.432 50 0 EEAAMO Cn1ccnc1C[NH2+][C@@H]1CC(=O)N(Cc2cccc3ccccc32)C1 ZINC000011816584 211249979 /nfs/dbraw/zinc/24/99/79/211249979.db2.gz JUYXOABLHRMFCY-QGZVFWFLSA-N 1 1 334.423 2.464 50 0 EEAAMO Cc1nc(CCNC(=O)[C@@H]2CCCCC[N@@H+]2C)nc2c1CCCC2 ZINC000091746854 218058169 /nfs/dbraw/zinc/05/81/69/218058169.db2.gz NNKFGAKKSZSFRS-KRWDZBQOSA-N 1 1 330.476 2.197 50 0 EEAAMO CCOCCC(=O)N[C@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1C1CC1 ZINC000092028607 218105474 /nfs/dbraw/zinc/10/54/74/218105474.db2.gz WOSKXFTZWUZGLX-AEFFLSMTSA-N 1 1 331.460 2.143 50 0 EEAAMO Cc1cc(C)cc(CN2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)c1 ZINC000092078339 218115892 /nfs/dbraw/zinc/11/58/92/218115892.db2.gz CACDHEXEQPFLDF-NHCUHLMSSA-N 1 1 346.515 2.048 50 0 EEAAMO Cc1cc(C)cc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)c1 ZINC000092078339 218115893 /nfs/dbraw/zinc/11/58/93/218115893.db2.gz CACDHEXEQPFLDF-NHCUHLMSSA-N 1 1 346.515 2.048 50 0 EEAAMO Cc1cc(C)cc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)c1 ZINC000092078339 218115897 /nfs/dbraw/zinc/11/58/97/218115897.db2.gz CACDHEXEQPFLDF-NHCUHLMSSA-N 1 1 346.515 2.048 50 0 EEAAMO COC[C@]1(O)CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC1(C)C ZINC000092081311 218116818 /nfs/dbraw/zinc/11/68/18/218116818.db2.gz BZAPRAVZPUWIRT-LJQANCHMSA-N 1 1 329.444 2.482 50 0 EEAAMO Cc1cccc2cc(-c3nc(CN4CC[NH+](C)CC4)no3)n(C)c21 ZINC000095352490 218286863 /nfs/dbraw/zinc/28/68/63/218286863.db2.gz PQCNCFCWPVUPRL-UHFFFAOYSA-N 1 1 325.416 2.284 50 0 EEAAMO CC(C)[C@@H]1C[N@@H+](CCCOc2ccc(C(N)=O)cc2)C[C@H]1N(C)C ZINC000095361609 218294241 /nfs/dbraw/zinc/29/42/41/218294241.db2.gz KDMAZZWXZYSHFB-ZWKOTPCHSA-N 1 1 333.476 2.072 50 0 EEAAMO CC(C)[C@@H]1CN(CCCOc2ccc(C(N)=O)cc2)C[C@H]1[NH+](C)C ZINC000095361609 218294245 /nfs/dbraw/zinc/29/42/45/218294245.db2.gz KDMAZZWXZYSHFB-ZWKOTPCHSA-N 1 1 333.476 2.072 50 0 EEAAMO Cc1ccccc1CSCC(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000299780095 258089131 /nfs/dbraw/zinc/08/91/31/258089131.db2.gz QQTIZUSNTDBQGB-MRXNPFEDSA-N 1 1 336.501 2.049 50 0 EEAAMO O=C(Cc1ccccc1C(F)(F)F)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000299791224 258096870 /nfs/dbraw/zinc/09/68/70/258096870.db2.gz DVSCOPRJGKQGHH-CYBMUJFWSA-N 1 1 344.377 2.068 50 0 EEAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cnn(C)c2C)N3)C1 ZINC000002738279 276236758 /nfs/dbraw/zinc/23/67/58/276236758.db2.gz IAJYAKDAGNGFOD-AWEZNQCLSA-N 1 1 331.445 2.022 50 0 EEAAMO C[NH+]1CCN(CC(=O)N[C@]2(C)CCCC[C@H]2c2ccc(O)cc2)CC1 ZINC000020472895 277104244 /nfs/dbraw/zinc/10/42/44/277104244.db2.gz GUDDWTFIARGIDJ-AZUAARDMSA-N 1 1 345.487 2.172 50 0 EEAAMO Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@@H]3CCO)C2=O)cc1C ZINC000005389520 462657718 /nfs/dbraw/zinc/65/77/18/462657718.db2.gz HWPWTIFQZHFICX-WBVHZDCISA-N 1 1 330.428 2.172 50 0 EEAAMO CN1CCc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)c2C1 ZINC000065475868 462777381 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COc1ccc(C[N@H+]2CCCN(c3ncnc4n[nH]cc43)CC2)cc1 ZINC000012574214 462858563 /nfs/dbraw/zinc/85/85/63/462858563.db2.gz SSSSKFXSCQWQTR-UHFFFAOYSA-N 1 1 338.415 2.074 50 0 EEAAMO CCCCN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012711346 462863743 /nfs/dbraw/zinc/86/37/43/462863743.db2.gz ILZKQMANKVTCTA-KRWDZBQOSA-N 1 1 349.519 2.358 50 0 EEAAMO COCc1ccc(C[NH2+]Cc2cccnc2N2CCC[C@H](O)C2)o1 ZINC000012746128 462865512 /nfs/dbraw/zinc/86/55/12/462865512.db2.gz IBRIVRIYCLLUEC-HNNXBMFYSA-N 1 1 331.416 2.072 50 0 EEAAMO Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000016033900 462968438 /nfs/dbraw/zinc/96/84/38/462968438.db2.gz JQDXQRDHOXYVPX-KBXCAEBGSA-N 1 1 337.423 2.153 50 0 EEAAMO O=C(CCCc1ccc(Cl)cc1)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000077406926 462981096 /nfs/dbraw/zinc/98/10/96/462981096.db2.gz FZBUQCFLVGVCGE-MRXNPFEDSA-N 1 1 338.879 2.483 50 0 EEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000016603042 462982919 /nfs/dbraw/zinc/98/29/19/462982919.db2.gz 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463024506 /nfs/dbraw/zinc/02/45/06/463024506.db2.gz CWTAWOWBRXFHAJ-INIZCTEOSA-N 1 1 327.428 2.466 50 0 biogenic EEAAMO Cc1ccc(NC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)cc1F ZINC000021638088 463038870 /nfs/dbraw/zinc/03/88/70/463038870.db2.gz YOFVODLSOWDIAL-UHFFFAOYSA-N 1 1 343.406 2.237 50 0 EEAAMO Nc1cc(N2CCC[C@@](CO)(CCOc3ccccc3)C2)nc[nH+]1 ZINC000067872518 463060684 /nfs/dbraw/zinc/06/06/84/463060684.db2.gz GUEKUKBEEYRCGR-GOSISDBHSA-N 1 1 328.416 2.107 50 0 EEAAMO CC(=O)NCC[C@H]1C[N@H+](C2CCN(c3ccc(C)cc3)CC2)CCO1 ZINC000067908791 463066119 /nfs/dbraw/zinc/06/61/19/463066119.db2.gz FAOZUTCOXKMCDD-FQEVSTJZSA-N 1 1 345.487 2.191 50 0 EEAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1ccccc1OC)C2 ZINC000095357842 463068164 /nfs/dbraw/zinc/06/81/64/463068164.db2.gz BPTHAMDBCHQSGJ-SJLPKXTDSA-N 1 1 346.471 2.197 50 0 EEAAMO CCCCN1CCN(C(=O)[C@@H](c2ccccc2C)[NH+](C)C)CC1=O ZINC000095376573 463071955 /nfs/dbraw/zinc/07/19/55/463071955.db2.gz MVGWBLDPSVWSMZ-GOSISDBHSA-N 1 1 331.460 2.069 50 0 EEAAMO 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CO[C@]12CC[N@@H+](CCC(=O)N(C)Cc3ccccc3)[C@H]1C[C@@H](O)CC2 ZINC000299769561 465883871 /nfs/dbraw/zinc/88/38/71/465883871.db2.gz QKOXBGJYLUQQCS-CMKODMSKSA-N 1 1 346.471 2.039 50 0 EEAAMO CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@]2(C[NH3+])C1 ZINC000601012351 468718626 /nfs/dbraw/zinc/71/86/26/468718626.db2.gz BARXDJJIPJZAFU-VQIMIIECSA-N 1 1 331.460 2.314 50 0 EEAAMO COc1ccccc1CN1C[C@@H](c2ncnn2-c2cc[nH+]cc2)CC1=O ZINC000670455954 485650151 /nfs/dbraw/zinc/65/01/51/485650151.db2.gz MJUKGDQYWJKOEB-HNNXBMFYSA-N 1 1 349.394 2.187 50 0 EEAAMO Cc1ccn(CC(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000012709570 1221896677 /nfs/dbraw/zinc/89/66/77/1221896677.db2.gz FKIVANLWASNCIK-GOSISDBHSA-N 1 1 326.444 2.015 50 0 EEAAMO CCn1nc(C)c(C[N@H+]2CC[C@H](CNC(=O)c3ccc[nH]3)C2)c1C ZINC000067846926 1250108127 /nfs/dbraw/zinc/10/81/27/1250108127.db2.gz VMQVSRBFTLGYFU-OAHLLOKOSA-N 1 1 329.448 2.100 50 0 EEAAMO Cc1[nH+]c(N)nc(N2CCCN(C(=O)C3CCCC3)CC2)c1Cl ZINC001772805801 1410368906 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CSc1nc(N)cc(N2CCN(c3nc4ccccc4o3)CC2)[nH+]1 ZINC000824952180 800303954 /nfs/dbraw/zinc/30/39/54/800303954.db2.gz DYJKNQDBEWLKHK-UHFFFAOYSA-N 1 1 342.428 2.249 50 0 EEAAMO CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCOc1ccc(Cl)cc1 ZINC000828754071 800833142 /nfs/dbraw/zinc/83/31/42/800833142.db2.gz XFFHQLDCXPQHNG-INIZCTEOSA-N 1 1 340.851 2.024 50 0 EEAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc3nonc32)C1)c1ccc[nH]1 ZINC000067460213 215149758 /nfs/dbraw/zinc/14/97/58/215149758.db2.gz GSDHUTCOYGCZJF-CYBMUJFWSA-N 1 1 339.399 2.193 50 0 EEAAMO Cc1nnc([C@@]23COC[C@@H]2C[N@@H+](CCOc2ccccc2Cl)C3)o1 ZINC000685942099 539990032 /nfs/dbraw/zinc/99/00/32/539990032.db2.gz NIHNJVZIIMHQQT-GUYCJALGSA-N 1 1 349.818 2.310 50 0 EEAAMO CC12CC3(C)CC(C)(C1)CC(NC(=O)N1CC[NH+](CCO)CC1)(C2)C3 ZINC000019938398 202027889 /nfs/dbraw/zinc/02/78/89/202027889.db2.gz JXVBSRXLWBUBMV-UHFFFAOYSA-N 1 1 349.519 2.445 50 0 EEAAMO Cc1nc(CN2CC[N@@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)c[nH]1 ZINC000022939397 202096019 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Cc1cc2nc(C)cc(N3CC[NH+](Cc4ncccc4C)CC3)n2n1 ZINC000072410438 216202466 /nfs/dbraw/zinc/20/24/66/216202466.db2.gz LCKVXNABYLRREQ-UHFFFAOYSA-N 1 1 336.443 2.372 50 0 EEAAMO c1csc(C[N@H+]2CCc3ncnc(N4CCCOCC4)c3CC2)c1 ZINC000072473719 216249833 /nfs/dbraw/zinc/24/98/33/216249833.db2.gz JMNDYHKWPCIWIU-UHFFFAOYSA-N 1 1 344.484 2.366 50 0 EEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2c(c1)OCO2 ZINC000022462223 212299280 /nfs/dbraw/zinc/29/92/80/212299280.db2.gz PPFJOPFIMIVXEC-UHFFFAOYSA-N 1 1 346.427 2.180 50 0 EEAAMO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@@H](OCCO)C[C@H]23)cc1 ZINC000426478175 241294199 /nfs/dbraw/zinc/29/41/99/241294199.db2.gz VFRATUSVUKOPLP-CEXWTWQISA-N 1 1 335.444 2.216 50 0 EEAAMO O=C(CN1Cc2ccccc2C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230208387 242249472 /nfs/dbraw/zinc/24/94/72/242249472.db2.gz XVHLCYVSHPNGEO-YJBOKZPZSA-N 1 1 341.455 2.023 50 0 biogenic EEAAMO CCc1nnc(NC(=O)CC[N@H+](C)Cc2nc(C)cs2)s1 ZINC000244742199 243074439 /nfs/dbraw/zinc/07/44/39/243074439.db2.gz 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O=c1cc(C[N@H+](CCCO)Cc2cccnc2)[nH]c2c(F)cccc12 ZINC000091724568 218053825 /nfs/dbraw/zinc/05/38/25/218053825.db2.gz MSXXKCKOBUBBKG-UHFFFAOYSA-N 1 1 341.386 2.447 50 0 EEAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)NCCCc1nc2ccc(C)cc2o1 ZINC000091745609 218057443 /nfs/dbraw/zinc/05/74/43/218057443.db2.gz GBNDVWFWGVODRA-QGZVFWFLSA-N 1 1 341.415 2.225 50 0 EEAAMO Cc1cccc([C@H](C(=O)N2CCN(C(=O)CC(C)C)CC2)[NH+](C)C)c1 ZINC000091746267 218058114 /nfs/dbraw/zinc/05/81/14/218058114.db2.gz WOWADGKLKLATIP-LJQANCHMSA-N 1 1 345.487 2.315 50 0 EEAAMO Cc1ccc([C@@H](C(=O)NCCCn2c(C)cccc2=O)[NH+](C)C)cc1 ZINC000095378273 218311729 /nfs/dbraw/zinc/31/17/29/218311729.db2.gz PEAGROJDWNZWEW-IBGZPJMESA-N 1 1 341.455 2.274 50 0 EEAAMO CCc1ncc(C(=O)N2CCC(CCn3cc[nH+]c3C)CC2)cn1 ZINC000095385903 218318508 /nfs/dbraw/zinc/31/85/08/218318508.db2.gz BMHQEDVHDDVZGU-UHFFFAOYSA-N 1 1 327.432 2.486 50 0 EEAAMO COCCC[N@H+](Cc1cccn1C)C[C@H](O)COCc1ccccc1 ZINC000004910197 210320938 /nfs/dbraw/zinc/32/09/38/210320938.db2.gz 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258102902 /nfs/dbraw/zinc/10/29/02/258102902.db2.gz SUBGAKJYLOYHFH-UHFFFAOYSA-N 1 1 346.475 2.153 50 0 EEAAMO Cc1cc(F)cc(NC(=O)NCC2(CN3CC[NH+](C)CC3)CC2)c1 ZINC000299802979 258105745 /nfs/dbraw/zinc/10/57/45/258105745.db2.gz ZNVGZNJDNXUHEC-UHFFFAOYSA-N 1 1 334.439 2.283 50 0 EEAAMO Cc1ccc2[nH]c(C[N@H+](C)CC3(CO)CCOCC3)cc(=O)c2c1 ZINC000299757441 258075522 /nfs/dbraw/zinc/07/55/22/258075522.db2.gz HLHVWLLYDOLXLS-UHFFFAOYSA-N 1 1 330.428 2.470 50 0 EEAAMO CSc1ncc(C(=O)N[C@@H](C)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000299761919 258078533 /nfs/dbraw/zinc/07/85/33/258078533.db2.gz BSRFSQXYBCWMKA-ZDUSSCGKSA-N 1 1 342.468 2.375 50 0 EEAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000299764798 258080176 /nfs/dbraw/zinc/08/01/76/258080176.db2.gz LSBMESNCHJHBPR-GOSISDBHSA-N 1 1 343.471 2.413 50 0 EEAAMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cccnc2OCC(F)F)C1 ZINC000123190593 292279292 /nfs/dbraw/zinc/27/92/92/292279292.db2.gz YIPIJLHYMZJHIV-LLVKDONJSA-N 1 1 328.363 2.189 50 0 EEAAMO Cc1ccc2cc([C@@H]3[NH2+]CCc4nc[nH]c43)c(N3CCOCC3)nc2c1 ZINC000065382342 292384818 /nfs/dbraw/zinc/38/48/18/292384818.db2.gz XSSYECUWAJXVOT-SFHVURJKSA-N 1 1 349.438 2.338 50 0 EEAAMO Cc1nc2c(cnn2C)c(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000359894859 164192797 /nfs/dbraw/zinc/19/27/97/164192797.db2.gz DECNQVATXSSVAJ-CALCHBBNSA-N 1 1 348.454 2.240 50 0 EEAAMO CCN(C(=O)CCNC(C)=O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106630844 276060448 /nfs/dbraw/zinc/06/04/48/276060448.db2.gz PFDFIDVYRVZRQI-CRAIPNDOSA-N 1 1 331.460 2.197 50 0 EEAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(Cl)c[nH]c3=O)CC2)c1 ZINC000063844470 462677291 /nfs/dbraw/zinc/67/72/91/462677291.db2.gz OKBKWYGCPSJIFR-UHFFFAOYSA-N 1 1 345.830 2.295 50 0 EEAAMO c1ccc(C[N@@H+]2CC[C@H](NCc3nc(-c4cccnc4)no3)C2)cc1 ZINC000065383210 462760883 /nfs/dbraw/zinc/76/08/83/462760883.db2.gz DZJNEWCEOFSQPZ-KRWDZBQOSA-N 1 1 335.411 2.496 50 0 EEAAMO c1ccc(CN2CC[C@H]([NH2+]Cc3nc(-c4cccnc4)no3)C2)cc1 ZINC000065383210 462760895 /nfs/dbraw/zinc/76/08/95/462760895.db2.gz DZJNEWCEOFSQPZ-KRWDZBQOSA-N 1 1 335.411 2.496 50 0 EEAAMO Cc1cccc([C@@H](C(=O)NCCSc2nccn2C)[NH+](C)C)c1 ZINC000065426300 462768970 /nfs/dbraw/zinc/76/89/70/462768970.db2.gz FKNSNHXWYOIWOV-HNNXBMFYSA-N 1 1 332.473 2.240 50 0 EEAAMO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000065527077 462790319 /nfs/dbraw/zinc/79/03/19/462790319.db2.gz JQJKKHLEBLUSEP-IBGZPJMESA-N 1 1 331.460 2.332 50 0 EEAAMO COc1c(C)cc(S(=O)(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)cc1C ZINC000091381138 462876815 /nfs/dbraw/zinc/87/68/15/462876815.db2.gz DGIHDNZHRDXZBB-LSDHHAIUSA-N 1 1 338.473 2.027 50 0 EEAAMO O=C(Cn1cccn1)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000015065954 462939913 /nfs/dbraw/zinc/93/99/13/462939913.db2.gz RBNBWPDXZDKFEQ-SFHVURJKSA-N 1 1 326.444 2.097 50 0 EEAAMO Cc1[nH]nc(CCC(=O)N2CCCN(c3cc[nH+]cc3C)CC2)c1C ZINC000077302181 462965392 /nfs/dbraw/zinc/96/53/92/462965392.db2.gz AMJLGKRCDJTNLU-UHFFFAOYSA-N 1 1 341.459 2.401 50 0 EEAAMO 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CCc1cc(C[N@@H+](C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)on1 ZINC000067935008 215253577 /nfs/dbraw/zinc/25/35/77/215253577.db2.gz RHEHQYGMMRXWRO-UHFFFAOYSA-N 1 1 341.367 2.439 50 0 EEAAMO CC(C)c1ncc(C[N@H+]2CC[C@H](CNC(=O)c3ccccn3)C2)cn1 ZINC000067983218 215266963 /nfs/dbraw/zinc/26/69/63/215266963.db2.gz VOKWQQGCUPRJPL-OAHLLOKOSA-N 1 1 339.443 2.247 50 0 EEAAMO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC2(C[C@H](C(=O)[O-])[N@@H+](C)C2)CC1 ZINC000072143298 216029569 /nfs/dbraw/zinc/02/95/69/216029569.db2.gz MXCXRGAUIPYZGW-QGZVFWFLSA-N 1 1 348.491 2.452 50 0 EEAAMO COc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000106630120 219676637 /nfs/dbraw/zinc/67/66/37/219676637.db2.gz DDDXJZZJSXMGDP-IIAWOOMASA-N 1 1 348.447 2.196 50 0 EEAAMO Cc1ccc(N2CCC([N@H+]3CCC[C@](O)(CO)C3)CC2)cc1Cl ZINC000072423367 216213565 /nfs/dbraw/zinc/21/35/65/216213565.db2.gz LBXBSXCBGBDNIS-GOSISDBHSA-N 1 1 338.879 2.436 50 0 EEAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)CCCc1cn[nH]c1 ZINC000072433411 216228004 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