smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 ZINC000022937769 202095141 /nfs/dbraw/zinc/09/51/41/202095141.db2.gz JBFVCXODUHNOEN-AZUAARDMSA-N 1 0 344.861 4.303 1 0 EIAFRO CCC(CC)OC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)[N@@H+]2C ZINC000027306753 202154248 /nfs/dbraw/zinc/15/42/48/202154248.db2.gz SSMWNQCHCRSYNE-MTFMMBMASA-N 1 0 329.484 4.293 1 0 EIAFRO CCC[NH2+]CCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@H]1C ZINC000028771988 202176787 /nfs/dbraw/zinc/17/67/87/202176787.db2.gz XFDYCBQRAWWJEL-MRXNPFEDSA-N 1 0 349.478 4.178 1 0 EIAFRO Clc1cccc(C[N@@H+]2CCC[C@H](Nc3ccc4n[nH]cc4c3)C2)c1 ZINC000028642195 202173761 /nfs/dbraw/zinc/17/37/61/202173761.db2.gz KCHJGCRFBMOASW-SFHVURJKSA-N 1 0 340.858 4.293 1 0 EIAFRO Clc1ccc(C[NH+]2CCC(Nc3ccc4n[nH]cc4c3)CC2)cc1 ZINC000028642013 202174079 /nfs/dbraw/zinc/17/40/79/202174079.db2.gz BRYHDLMQBIINCD-UHFFFAOYSA-N 1 0 340.858 4.293 1 0 EIAFRO O[C@@H]1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)[NH+]2CCC1CC2 ZINC000028826479 202178030 /nfs/dbraw/zinc/17/80/30/202178030.db2.gz QSSJQRUIQVSAQK-SINAZASISA-N 1 0 344.458 4.117 1 0 EIAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCC[C@@](O)(c1ccccc1)c1ccncc1 ZINC000029557244 202189889 /nfs/dbraw/zinc/18/98/89/202189889.db2.gz RJLWFRLLAXAHSU-WOIUINJBSA-N 1 0 338.495 4.361 1 0 EIAFRO NC(=[NH2+])c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)cc2c1 ZINC000033360147 202259052 /nfs/dbraw/zinc/25/90/52/202259052.db2.gz CFSQPEBVGUSQII-UHFFFAOYSA-N 1 0 335.407 4.146 1 0 in-vivo EIAFRO CN(C)C1=[NH+]C[C@H](Cc2ccccc2)N1CCCC1CCCCC1 ZINC000036386729 202324314 /nfs/dbraw/zinc/32/43/14/202324314.db2.gz IVQNHHQASOYCQD-FQEVSTJZSA-N 1 0 327.516 4.191 3 0 EIAFRO CC(C)[NH+]1CCC(COc2nc3ccsc3n3cccc23)CC1 ZINC000040408131 202438012 /nfs/dbraw/zinc/43/80/12/202438012.db2.gz XZJQOXFJZNYYOX-UHFFFAOYSA-N 1 0 329.469 4.048 1 0 EIAFRO Cc1cccc(-c2n[nH]c(C3CC[NH+](C)CC3)c2-c2ccncc2)c1 ZINC000049072977 202616284 /nfs/dbraw/zinc/61/62/84/202616284.db2.gz YHIXTLKAKCYDJE-UHFFFAOYSA-N 1 0 332.451 4.256 1 0 EIAFRO COc1ccc2c(c1)CC(CC[NH+](C)C)=C2[C@@H](C)c1nccs1 ZINC000049110002 202616836 /nfs/dbraw/zinc/61/68/36/202616836.db2.gz YYRVJJWBIQUZNR-CYBMUJFWSA-N 1 0 328.481 4.217 1 0 EIAFRO CSc1nn(-c2ccc(C)cc2)c2cc(C3=CC[NH2+]CC3)ccc21 ZINC000072178276 203182406 /nfs/dbraw/zinc/18/24/06/203182406.db2.gz SESDCSYISZDSGQ-UHFFFAOYSA-N 1 0 335.476 4.433 1 0 EIAFRO c1ccc(C([NH2+]C[C@@H]2CCO2)(c2ccccc2)c2ccccc2)cc1 ZINC000073351325 203264051 /nfs/dbraw/zinc/26/40/51/203264051.db2.gz BUTSHKRIRGZUNO-QFIPXVFZSA-N 1 0 329.443 4.357 1 0 EIAFRO CCC[C@H]1CC[C@@H]([NH+]2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 ZINC000101680303 204017665 /nfs/dbraw/zinc/01/76/65/204017665.db2.gz SGXKUDSIRVCXTR-UAPYVXQJSA-N 1 0 340.511 4.399 1 0 EIAFRO CC(=O)c1ccc(Oc2ccc3c(c2)CC[N@H+](C2CCC2)CC3)cn1 ZINC000103242301 204068581 /nfs/dbraw/zinc/06/85/81/204068581.db2.gz WHVIDDBOZMFAKP-UHFFFAOYSA-N 1 0 336.435 4.030 1 0 EIAFRO NC(=[NH2+])N1[C@H](CCc2ccccc2)CC[C@@H]1Sc1ccccc1 ZINC000103262150 204070421 /nfs/dbraw/zinc/07/04/21/204070421.db2.gz LLMUOICAETXIKH-AEFFLSMTSA-N 1 0 325.481 4.095 1 0 EIAFRO Cc1ccccc1[C@H]1C[C@H]2CC[C@H](CCc3ccccc3)N2C(=[NH2+])N1 ZINC000103262081 204070621 /nfs/dbraw/zinc/07/06/21/204070621.db2.gz NOSVBGHHJICOPH-QKNQBKEWSA-N 1 0 333.479 4.430 1 0 EIAFRO COc1ccc([C@@H](O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC000103269380 204070961 /nfs/dbraw/zinc/07/09/61/204070961.db2.gz AFWLTZMAQCSANY-PSBKLILYSA-N 1 0 337.463 4.426 1 0 EIAFRO O[C@H](C[C@@H]1CCCC[NH2+]1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000169334807 206552144 /nfs/dbraw/zinc/55/21/44/206552144.db2.gz UBTJBCNZKMTYEM-HTAPYJJXSA-N 1 0 332.447 4.467 1 0 EIAFRO CN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2[N+]2=C1CC=C2 ZINC000101022763 219114326 /nfs/dbraw/zinc/11/43/26/219114326.db2.gz NBVUXUMGEHPTCE-UHFFFAOYSA-N 1 0 347.394 4.148 1 0 EIAFRO CCOC(=O)C1(Cc2ccccc2)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000012050130 201823748 /nfs/dbraw/zinc/82/37/48/201823748.db2.gz VMKAWVINMIKTDU-FQEVSTJZSA-N 1 0 341.495 4.231 3 0 EIAFRO COc1cccc2c1CCC[C@H]2N1CC[NH+](C2CCCCC2)CC1 ZINC000022931079 202095124 /nfs/dbraw/zinc/09/51/24/202095124.db2.gz ZKMTXBPXPWCYGI-HXUWFJFHSA-N 1 0 328.500 4.023 1 0 EIAFRO Cc1ccc2c(c1)[C@H](N1CC[NH2+]C(C)(C)C1)C[C@@H]2c1ccc(F)cc1 ZINC000022938048 202095531 /nfs/dbraw/zinc/09/55/31/202095531.db2.gz YGBDHZJMOPGGDK-TZIWHRDSSA-N 1 0 338.470 4.395 1 0 EIAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)Oc2ccccc2)[N@@H+]3C)cc1 ZINC000026509080 202145747 /nfs/dbraw/zinc/14/57/47/202145747.db2.gz HIQHQNWJRSNELD-HZEGPAAWSA-N 1 0 335.447 4.167 1 0 EIAFRO Cn1nc(C2CC[NH2+]CC2)cc1-c1ccc(OCc2ccccc2)cc1 ZINC000027196921 202152808 /nfs/dbraw/zinc/15/28/08/202152808.db2.gz MINOMAKPQGKDCF-UHFFFAOYSA-N 1 0 347.462 4.133 1 0 EIAFRO COc1ccc(/C=C2\C=C(CC[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000027303675 202154325 /nfs/dbraw/zinc/15/43/25/202154325.db2.gz YQNJFQHTYQEYKH-CAPFRKAQSA-N 1 0 347.458 4.355 1 0 EIAFRO CO[C@H]1C[C@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@@H]1[N@@H+]2C ZINC000027901479 202161718 /nfs/dbraw/zinc/16/17/18/202161718.db2.gz ODOVOZRQRRUTGF-ANULTFPQSA-N 1 0 337.463 4.043 1 0 EIAFRO C=C1c2ccc(Cl)cc2C=C(N2CC[NH+](C)CC2)c2ccccc21 ZINC000027892892 202161789 /nfs/dbraw/zinc/16/17/89/202161789.db2.gz PRRVUGWDILXJOU-UHFFFAOYSA-N 1 0 336.866 4.460 1 0 EIAFRO CCC(=O)N(c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000027999628 202164806 /nfs/dbraw/zinc/16/48/06/202164806.db2.gz CMGQCTURNHRUBC-NRFANRHFSA-N 1 0 336.479 4.484 1 0 EIAFRO Cc1cc([C@](O)(c2ccc(C(C)C)cc2)C2CC[NH+](C)CC2)sn1 ZINC000028244305 202167532 /nfs/dbraw/zinc/16/75/32/202167532.db2.gz PMXPQHJCWDMKPK-FQEVSTJZSA-N 1 0 344.524 4.153 1 0 EIAFRO CCc1cccc2c1[C@H](Cc1ccc(OC)c(OC)c1)[N@H+](C)CC2 ZINC000028461924 202171028 /nfs/dbraw/zinc/17/10/28/202171028.db2.gz OSVSZCYVFYTBLK-SFHVURJKSA-N 1 0 325.452 4.038 1 0 EIAFRO C[NH+](C)CCNc1cc(-c2cccc(F)c2)nc2ccc(F)cc21 ZINC000028639827 202173919 /nfs/dbraw/zinc/17/39/19/202173919.db2.gz SKNKPXWFCCJSFB-UHFFFAOYSA-N 1 0 327.378 4.154 1 0 EIAFRO c1ccc(-n2nc(-c3cccc4ccccc43)n[n+]2-c2ccccc2)cc1 ZINC000029131122 202181425 /nfs/dbraw/zinc/18/14/25/202181425.db2.gz OEIYPYLRCFFXQV-UHFFFAOYSA-N 1 0 349.417 4.364 1 0 EIAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2cccc(C)c2)C1C(=O)OCC ZINC000029335013 202185766 /nfs/dbraw/zinc/18/57/66/202185766.db2.gz GDGRKKVXLYXCIV-BDBAMQCISA-N 1 0 343.423 4.196 1 0 EIAFRO C[NH+](C)CCCCn1ccc2ccc(NC(=N)c3cccs3)cc21 ZINC000034804350 202278034 /nfs/dbraw/zinc/27/80/34/202278034.db2.gz JAOUJDDSXCIDJS-UHFFFAOYSA-N 1 0 340.496 4.482 1 0 EIAFRO Cc1c2c(c(CCCCC[NH3+])c3c1Oc1ccccc1O3)C(=O)OC2 ZINC000035090783 202286532 /nfs/dbraw/zinc/28/65/32/202286532.db2.gz WAJGSAYZDZKFAC-UHFFFAOYSA-N 1 0 339.391 4.235 1 0 EIAFRO Clc1cccc(Cl)c1C[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000036093212 202313841 /nfs/dbraw/zinc/31/38/41/202313841.db2.gz QYPSCQLKEMPYGY-SFHVURJKSA-N 1 0 335.278 4.182 1 0 EIAFRO Cc1cccc(C(=O)NCC2CC[NH2+]CC2)c1-c1cccc(Cl)c1 ZINC000049793196 202628502 /nfs/dbraw/zinc/62/85/02/202628502.db2.gz LYSNTSJXNCMKPF-UHFFFAOYSA-N 1 0 342.870 4.045 1 0 EIAFRO CSc1nn(-c2ccc(F)cc2)c2cc(C3=CC[NH2+]CC3)ccc21 ZINC000072175380 203182090 /nfs/dbraw/zinc/18/20/90/203182090.db2.gz UBRBWTYCZSKZLM-UHFFFAOYSA-N 1 0 339.439 4.263 1 0 EIAFRO Cc1nc2cnc3[nH]ccc3c2n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000095574409 203762134 /nfs/dbraw/zinc/76/21/34/203762134.db2.gz HEMGMIJDFOQHRV-UHFFFAOYSA-N 1 0 345.450 4.058 1 0 EIAFRO CCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CC[NH+](C)CC1)=N2 ZINC000101771718 204022327 /nfs/dbraw/zinc/02/23/27/204022327.db2.gz YWGJDMHPINTLKT-UHFFFAOYSA-N 1 0 345.490 4.166 1 0 EIAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 ZINC000101812227 204023704 /nfs/dbraw/zinc/02/37/04/204023704.db2.gz CSVCLUXIZUMABR-AERCQKQUSA-N 1 0 349.474 4.161 1 0 EIAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 ZINC000101812223 204024118 /nfs/dbraw/zinc/02/41/18/204024118.db2.gz CSVCLUXIZUMABR-WKCHPHFGSA-N 1 0 349.474 4.161 1 0 EIAFRO CC(C)C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H](CC(C)C)C[NH2+]1 ZINC000103267044 204071027 /nfs/dbraw/zinc/07/10/27/204071027.db2.gz YHOGAADWEVGJIK-XSDIEEQYSA-N 1 0 342.527 4.051 1 0 EIAFRO Fc1ccc([C@H]2C[C@@H]2C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000013814487 135703743 /nfs/dbraw/zinc/70/37/43/135703743.db2.gz QMFFGHVNSGLLRV-SJLPKXTDSA-N 1 0 344.861 4.405 1 0 EIAFRO [NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)Cn1cccc1 ZINC000040935919 581098967 /nfs/dbraw/zinc/09/89/67/581098967.db2.gz MFFXTUQUIRQOCK-KRWDZBQOSA-N 1 0 349.434 4.027 1 0 EIAFRO COc1cc(C[C@H](C)[NH3+])c(OC)cc1CCCc1ccc(Cl)cc1 ZINC000013809605 201917182 /nfs/dbraw/zinc/91/71/82/201917182.db2.gz NBVUSYYQRXPQSV-AWEZNQCLSA-N 1 0 347.886 4.422 1 0 EIAFRO C[NH+]1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 ZINC000022937776 202095223 /nfs/dbraw/zinc/09/52/23/202095223.db2.gz JBFVCXODUHNOEN-UYAOXDASSA-N 1 0 344.861 4.303 1 0 EIAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1cccc(-c3ccccc3)c1)[N@@H+]2C ZINC000026183114 202139600 /nfs/dbraw/zinc/13/96/00/202139600.db2.gz GDTWDHOANPFJQI-DOIPELPJSA-N 1 0 335.447 4.093 1 0 EIAFRO C[N@@H+]1Cc2ccccc2[C@@H]2c3cc(O)c(Br)cc3CC[C@H]21 ZINC000026274927 202140999 /nfs/dbraw/zinc/14/09/99/202140999.db2.gz LGYJRJSIABNMNK-SJLPKXTDSA-N 1 0 344.252 4.047 1 0 EIAFRO CCCN1CC[N@H+](CCC)[C@H]2CCn3c4ccccc4c(C)c3[C@@H]21 ZINC000027307370 202154277 /nfs/dbraw/zinc/15/42/77/202154277.db2.gz RFFFXCJAXQLALO-PZJWPPBQSA-N 1 0 325.500 4.201 1 0 EIAFRO NC(=[NH2+])CCCC[C@H]1C(=O)O[C@H]2Cc3ccc(-c4ccccc4)cc3[C@H]12 ZINC000027442751 202155531 /nfs/dbraw/zinc/15/55/31/202155531.db2.gz SGGAMCSSHSTAJH-LMNJBCLMSA-N 1 0 348.446 4.031 1 0 EIAFRO Cc1cc([C@H](O)[C@H]2CCCC[NH2+]2)c2cc(Cl)cc(Cl)c2n1 ZINC000027523743 202156092 /nfs/dbraw/zinc/15/60/92/202156092.db2.gz QIXTUMJGEJXBCI-ZBFHGGJFSA-N 1 0 325.239 4.026 1 0 EIAFRO CC[C@@H](C)[N@@H+](CC[C@](CC(C)C)(C(N)=O)c1ccccn1)[C@@H](C)CC ZINC000027522994 202156690 /nfs/dbraw/zinc/15/66/90/202156690.db2.gz SEAQJMHMJNQGCV-LVCYWYKZSA-N 1 0 347.547 4.140 1 0 EIAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccsc3)cc1)[N@@H+]2C ZINC000028132977 202165502 /nfs/dbraw/zinc/16/55/02/202165502.db2.gz XDCKKLJZZNMBOS-WJFTUGDTSA-N 1 0 341.476 4.154 1 0 EIAFRO C[NH+](C)C[C@H]1C[C@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 ZINC000028523621 202171387 /nfs/dbraw/zinc/17/13/87/202171387.db2.gz BSOLCASXROXPRZ-WTANOLMUSA-N 1 0 329.440 4.466 1 0 EIAFRO COc1ccc(C[C@@H]2c3cccc(Cl)c3CC[N@H+]2C)cc1OC ZINC000028461972 202171865 /nfs/dbraw/zinc/17/18/65/202171865.db2.gz QVFKFMGADFIGEA-QGZVFWFLSA-N 1 0 331.843 4.129 1 0 EIAFRO COc1ccccc1CN[C@@H]1[C@@H]2CC[NH2+][C@@]1(c1ccccc1)CC=C2C ZINC000029344892 202185757 /nfs/dbraw/zinc/18/57/57/202185757.db2.gz HMCACXWESDLLOQ-YMPZKCBVSA-N 1 0 348.490 4.008 1 0 EIAFRO CC(=O)O[C@@]1(C(C)(C)C)CC[N@@H+]2C[C@@H](c3ccccc3)CC[C@@H]2C1 ZINC000029416552 202186755 /nfs/dbraw/zinc/18/67/55/202186755.db2.gz XVWKTOVXJYWCEA-ZVDOUQERSA-N 1 0 329.484 4.376 1 0 EIAFRO C[N@@H+]1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 ZINC000035274165 202294175 /nfs/dbraw/zinc/29/41/75/202294175.db2.gz UJXAGMVNACHDOG-RBUKOAKNSA-N 1 0 325.477 4.114 1 0 EIAFRO Cc1ccc(Nc2nc3ccc(C(=[NH2+])NC(C)C)cc3s2)nc1 ZINC000040429016 202438632 /nfs/dbraw/zinc/43/86/32/202438632.db2.gz JXFXSYZQEGMCTR-UHFFFAOYSA-N 1 0 325.441 4.067 1 0 EIAFRO COc1ccc2c(c1)[C@@]13CC[C@@H](C)C[C@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000040800893 202464064 /nfs/dbraw/zinc/46/40/64/202464064.db2.gz QXUTYQGRNHORHX-OUWXYEHJSA-N 1 0 325.496 4.410 1 0 EIAFRO Cc1ccc2cc(-c3n[nH]c4ccc(N[C@@H](C)C[NH+](C)C)cc43)[nH]c2c1 ZINC000066074116 202877314 /nfs/dbraw/zinc/87/73/14/202877314.db2.gz OZUVLXJPLOJMED-AWEZNQCLSA-N 1 0 347.466 4.382 1 0 EIAFRO NC(=O)c1c[nH+]c(NC2CCCCC2)c2c3ccc(Cl)cc3[nH]c21 ZINC000072122995 203163476 /nfs/dbraw/zinc/16/34/76/203163476.db2.gz ZZLDWLCAHCKPNS-UHFFFAOYSA-N 1 0 342.830 4.213 1 0 EIAFRO C[C@H]1[C@@H]2C[C@H](C[C@@H]1[NH2+]Cc1coc(-c3ccc(O)cc3)n1)C2(C)C ZINC000072184798 203183197 /nfs/dbraw/zinc/18/31/97/203183197.db2.gz XTODPSLMGDNQAE-YENGBRFLSA-N 1 0 326.440 4.208 1 0 EIAFRO CCCc1ccc2c(c1)sc(=O)n2CCC[NH+]1CCCCCC1 ZINC000096916517 203900380 /nfs/dbraw/zinc/90/03/80/203900380.db2.gz UHGFQOOTYMEKKP-UHFFFAOYSA-N 1 0 332.513 4.282 1 0 EIAFRO CC(=O)C[C@@H]1c2ccccc2[NH+]=C(n2ccnc2)N1c1ccc(F)cc1 ZINC000103176588 204065179 /nfs/dbraw/zinc/06/51/79/204065179.db2.gz IJVNBZLPBLFYRW-LJQANCHMSA-N 1 0 348.381 4.098 1 0 EIAFRO Cc1cc(N)c2cc(NC(=O)NCc3ccccc3Cl)ccc2[nH+]1 ZINC000103236359 204069517 /nfs/dbraw/zinc/06/95/17/204069517.db2.gz GXMZJYQHWZXWNU-UHFFFAOYSA-N 1 0 340.814 4.101 1 0 EIAFRO CC(C)OC(=O)N[C@H]1CC[C@H](CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000103283893 204071500 /nfs/dbraw/zinc/07/15/00/204071500.db2.gz SSTFAQARXUDMNY-MSEWRSJXSA-N 1 0 344.499 4.128 1 0 EIAFRO FC(F)(F)c1cccc(N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1 ZINC000169294126 564017052 /nfs/dbraw/zinc/01/70/52/564017052.db2.gz FIAOAIAXJRLEKI-XHSDSOJGSA-N 1 0 336.401 4.040 1 0 EIAFRO C[NH+](C)C[C@H]1C[C@H]2c3cccc(Cl)c3Cc3ccccc3N2O1 ZINC000013437257 201895054 /nfs/dbraw/zinc/89/50/54/201895054.db2.gz YDCWINJIBUMKOY-KUHUBIRLSA-N 1 0 328.843 4.057 1 0 EIAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C[NH2+]CCc1ccccc1)O2 ZINC000013651347 201905905 /nfs/dbraw/zinc/90/59/05/201905905.db2.gz YWBRJQBAZAOYNP-JOCHJYFZSA-N 1 0 339.479 4.233 1 0 EIAFRO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH2+]C[C@H]1CCCCO1 ZINC000015961895 201968597 /nfs/dbraw/zinc/96/85/97/201968597.db2.gz VVLGHBRRYIRMOR-OAQYLSRUSA-N 1 0 347.462 4.402 3 0 EIAFRO CC1=C(CCN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)C(C)(C)CCC1 ZINC000019222542 202001027 /nfs/dbraw/zinc/00/10/27/202001027.db2.gz CPLZIACUIYGDOJ-FQEVSTJZSA-N 1 0 348.575 4.214 3 0 EIAFRO COc1cccc2c1CCC[C@@H]2N1CC[NH+](C2CCCCC2)CC1 ZINC000022931076 202095112 /nfs/dbraw/zinc/09/51/12/202095112.db2.gz ZKMTXBPXPWCYGI-FQEVSTJZSA-N 1 0 328.500 4.023 1 0 EIAFRO CC(C)[NH+](CC[C@@]1(c2ccccc2)C[C@H]2CCCCN2C1=O)C(C)C ZINC000026275671 202141112 /nfs/dbraw/zinc/14/11/12/202141112.db2.gz NGTHSHJXZHWAHM-IRLDBZIGSA-N 1 0 342.527 4.218 1 0 EIAFRO C=C1c2ccccc2C=C(N2CC[NH+](C)CC2)c2cc(Cl)ccc21 ZINC000026379106 202142342 /nfs/dbraw/zinc/14/23/42/202142342.db2.gz YVKWMORDCBVMMB-UHFFFAOYSA-N 1 0 336.866 4.460 1 0 EIAFRO CC(C)C[C@H](c1cccc(O)c1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000027548995 202155822 /nfs/dbraw/zinc/15/58/22/202155822.db2.gz WOISGNJACAUTGW-JOCHJYFZSA-N 1 0 338.495 4.297 1 0 EIAFRO O[C@H](c1cc(C(F)(F)F)nc2c(Cl)cccc12)[C@@H]1CCCC[NH2+]1 ZINC000027524208 202156054 /nfs/dbraw/zinc/15/60/54/202156054.db2.gz OAKOEIPZSOOLIY-SWLSCSKDSA-N 1 0 344.764 4.083 1 0 EIAFRO Cc1cccc2c([C@@H](O)[C@@H]3CCCC[NH2+]3)cc(-c3ccccc3)nc12 ZINC000027523799 202156462 /nfs/dbraw/zinc/15/64/62/202156462.db2.gz VBGIETLZISGHRP-SIKLNZKXSA-N 1 0 332.447 4.386 1 0 EIAFRO CCOC(=O)C1CC[NH+](Cc2cc(C(C)C)c(N)c(C(C)C)c2)CC1 ZINC000028013540 202164099 /nfs/dbraw/zinc/16/40/99/202164099.db2.gz XCXBEPOAEKIMBG-UHFFFAOYSA-N 1 0 346.515 4.291 1 0 EIAFRO CC(C)c1ccc(C[NH2+]CCCOc2cccc3ccc(N)nc32)cc1 ZINC000028390463 202170422 /nfs/dbraw/zinc/17/04/22/202170422.db2.gz KXGYGYVXRMFZSI-UHFFFAOYSA-N 1 0 349.478 4.499 1 0 EIAFRO C[NH2+]CCC[C@H]1Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O ZINC000028526675 202172174 /nfs/dbraw/zinc/17/21/74/202172174.db2.gz BOPYYBXXVMRACX-HNNXBMFYSA-N 1 0 342.870 4.485 1 0 EIAFRO C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(N)=O)c21 ZINC000028571360 202173032 /nfs/dbraw/zinc/17/30/32/202173032.db2.gz MQFDETILCHDOAZ-ZBEGNZNMSA-N 1 0 349.261 4.279 1 0 EIAFRO C[NH+](C)CC[C@@H](NC(=O)Cc1ccccc1)c1ccc2ccccc2c1 ZINC000028654015 202173800 /nfs/dbraw/zinc/17/38/00/202173800.db2.gz METIPYMTOPSGDD-JOCHJYFZSA-N 1 0 346.474 4.192 1 0 EIAFRO Clc1cccc(C[NH+]2CCC(Nc3ccc4n[nH]cc4c3)CC2)c1 ZINC000028641817 202174124 /nfs/dbraw/zinc/17/41/24/202174124.db2.gz ZIPOUVFKEPVZER-UHFFFAOYSA-N 1 0 340.858 4.293 1 0 EIAFRO c1ccc2c(c1)cccc2CCO[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000028653618 202174179 /nfs/dbraw/zinc/17/41/79/202174179.db2.gz JQQLXARPNNPHPC-FGZHOGPDSA-N 1 0 339.479 4.042 1 0 EIAFRO C[NH+](C)CC[C@H](NC(=O)Cc1ccccc1)c1ccc2ccccc2c1 ZINC000028654019 202174431 /nfs/dbraw/zinc/17/44/31/202174431.db2.gz METIPYMTOPSGDD-QFIPXVFZSA-N 1 0 346.474 4.192 1 0 EIAFRO CN(Cc1cccc2occc21)C(=O)[C@@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000029393204 202185838 /nfs/dbraw/zinc/18/58/38/202185838.db2.gz GILPARVWDRWRKU-RTBURBONSA-N 1 0 340.467 4.046 1 0 EIAFRO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@@H+]2CCc1cccs1 ZINC000029399901 202186658 /nfs/dbraw/zinc/18/66/58/202186658.db2.gz NGDYJXMFCWASPD-VHKYSDTDSA-N 1 0 327.493 4.221 1 0 EIAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)OC2CCCC2)[N@@H+]3C)cc1 ZINC000036271094 202320200 /nfs/dbraw/zinc/32/02/00/202320200.db2.gz PSQGGMTYCHMOPL-BTHPGYMESA-N 1 0 327.468 4.047 1 0 EIAFRO Cc1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2CC[NH3+])cc1 ZINC000036474097 202326537 /nfs/dbraw/zinc/32/65/37/202326537.db2.gz JGTAQNSYZNSPAJ-UHFFFAOYSA-N 1 0 334.250 4.201 1 0 EIAFRO CC(C)(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000038208422 202399857 /nfs/dbraw/zinc/39/98/57/202399857.db2.gz DINOQTNPFRDVRK-AWEZNQCLSA-N 1 0 343.298 4.120 1 0 EIAFRO CC(C)(C)CC[C@]1(C(=O)c2ccc(Cl)c(Cl)n2)CC[NH2+]C1 ZINC000058591680 202770700 /nfs/dbraw/zinc/77/07/00/202770700.db2.gz SVDKSLGSXDLGEV-INIZCTEOSA-N 1 0 329.271 4.377 1 0 EIAFRO CCn1c2ccc(C(=O)c3ccccc3)cc2c2c[n+](CC)ccc21 ZINC000071295778 203090755 /nfs/dbraw/zinc/09/07/55/203090755.db2.gz QEPJNBUEDXQGRK-UHFFFAOYSA-N 1 0 329.423 4.353 1 0 EIAFRO COc1ccc2cc[n+](CCc3ccc(Cl)cc3)cc2c1OC ZINC000071295774 203091678 /nfs/dbraw/zinc/09/16/78/203091678.db2.gz ZXEHBUPYBDEGNE-UHFFFAOYSA-N 1 0 328.819 4.041 1 0 EIAFRO Cc1csc([C@]23C[C@@]2(c2ccc(Cl)c(Cl)c2)CC[NH2+]C3)n1 ZINC000072116320 203163489 /nfs/dbraw/zinc/16/34/89/203163489.db2.gz KUJKCGJIUCGPED-HZPDHXFCSA-N 1 0 339.291 4.331 1 0 EIAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2cc(OC)cc(OC)c2)n1 ZINC000072186390 203183284 /nfs/dbraw/zinc/18/32/84/203183284.db2.gz PRAFOIVZTFYXQP-AWEZNQCLSA-N 1 0 332.444 4.417 1 0 EIAFRO OC1(c2ccccc2)CC[NH+]([C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000096901651 203899605 /nfs/dbraw/zinc/89/96/05/203899605.db2.gz QSLDTFSIHIFQFN-QFIPXVFZSA-N 1 0 344.458 4.155 1 0 EIAFRO O=C(O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1)c1ccccc1 ZINC000101644900 204017189 /nfs/dbraw/zinc/01/71/89/204017189.db2.gz ZVQCTZVWEBSXKK-WKCHPHFGSA-N 1 0 335.447 4.082 1 0 in-vitro EIAFRO O[C@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 ZINC000045303005 204320033 /nfs/dbraw/zinc/32/00/33/204320033.db2.gz HBFZRYCJHBPJDA-RBXDXQPVSA-N 1 0 339.401 4.297 1 0 EIAFRO C[NH+](C)CCCN1C(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000013553535 201900144 /nfs/dbraw/zinc/90/01/44/201900144.db2.gz FFVMPNLCXIWZLV-GOSISDBHSA-N 1 0 343.858 4.229 1 0 EIAFRO CC1(C)O[C@@]2([C@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@@H]1[C@H]([NH3+])C2 ZINC000085543291 291005877 /nfs/dbraw/zinc/00/58/77/291005877.db2.gz QGIOCPSTZPMMEK-ZAAOTPHGSA-N 1 0 343.511 4.416 1 0 biogenic,in-vitro EIAFRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccccc1 ZINC000019589170 202012469 /nfs/dbraw/zinc/01/24/69/202012469.db2.gz HKRBJQBZMQZCSD-YPAWHYETSA-N 1 0 348.490 4.169 1 0 EIAFRO C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)[C@@H](c2ccccc2)C1C(=O)OC ZINC000021981279 202075997 /nfs/dbraw/zinc/07/59/97/202075997.db2.gz YGODTRTXGSNAQE-BDBAMQCISA-N 1 0 343.423 4.134 1 0 EIAFRO Cc1ccc2c(c1)[C@H](N1CC[NH2+]C(C)(C)C1)C[C@H]2c1ccc(F)cc1 ZINC000022938051 202095049 /nfs/dbraw/zinc/09/50/49/202095049.db2.gz YGBDHZJMOPGGDK-PZJWPPBQSA-N 1 0 338.470 4.395 1 0 EIAFRO C[C@H]1[C@@H]2Cc3ccc(N(C)C)cc3[C@@]1(C)CC[N@@H+]2Cc1ccccc1 ZINC000026818055 202147889 /nfs/dbraw/zinc/14/78/89/202147889.db2.gz RWYOXWWPQFYBCZ-RTFZILSDSA-N 1 0 334.507 4.477 1 0 EIAFRO CC[NH+](CC)CC/C=C1\c2cccnc2COc2ccc(OC)cc21 ZINC000026839708 202149215 /nfs/dbraw/zinc/14/92/15/202149215.db2.gz DPWLUNLBMGELMR-RQZCQDPDSA-N 1 0 338.451 4.146 1 0 EIAFRO CCOC1(OCC)[C@H]2c3cccc(C)c3[C@H]([n+]3ccccc32)C1(C)C ZINC000027517498 202156063 /nfs/dbraw/zinc/15/60/63/202156063.db2.gz SMKLVXUPVDRMKI-PMACEKPBSA-N 1 0 338.471 4.126 1 0 EIAFRO CCCCOc1ccc(NC(=[NH2+])NC)cc1OCc1ccccc1 ZINC000028020708 202164609 /nfs/dbraw/zinc/16/46/09/202164609.db2.gz KOAIWDOAMLUDKD-UHFFFAOYSA-N 1 0 327.428 4.011 1 0 EIAFRO CCCCCOc1c(OC)cc(N[C@@H](C)CCC[NH3+])c2ncccc21 ZINC000028221249 202166926 /nfs/dbraw/zinc/16/69/26/202166926.db2.gz SDTLBPSTKJMQFP-HNNXBMFYSA-N 1 0 345.487 4.352 1 0 EIAFRO O=C1Nc2ccccc2C12CC[NH+](CC1CCCCCCC1)CC2 ZINC000028528270 202173002 /nfs/dbraw/zinc/17/30/02/202173002.db2.gz DEUFHYFPEZZSNA-UHFFFAOYSA-N 1 0 326.484 4.333 1 0 EIAFRO OC1(c2ccccn2)CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028817184 202177442 /nfs/dbraw/zinc/17/74/42/202177442.db2.gz RQPLUPANAPAMMF-UHFFFAOYSA-N 1 0 344.458 4.155 1 0 in-vivo EIAFRO C[NH2+]CC[C@H](c1ccccc1)n1c2ccccc2n(C2CCCC2)c1=O ZINC000034986464 202282291 /nfs/dbraw/zinc/28/22/91/202282291.db2.gz XBSXEAMPHZZPKZ-LJQANCHMSA-N 1 0 349.478 4.117 1 0 EIAFRO C[NH2+]CCCCc1c2c(c(C)c3c1Oc1ccccc1O3)COC2=O ZINC000035090789 202286558 /nfs/dbraw/zinc/28/65/58/202286558.db2.gz USULUTHVZXUORK-UHFFFAOYSA-N 1 0 339.391 4.106 1 0 EIAFRO C[C@@H]1O[C@H](O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)[N@@H+]3C)[C@@H]12 ZINC000036289066 202320504 /nfs/dbraw/zinc/32/05/04/202320504.db2.gz NHZLUWXVVNMGJV-PTOGTVGVSA-N 1 0 347.543 4.211 1 0 EIAFRO CC(C)[N@@H+]1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 ZINC000072104229 202364654 /nfs/dbraw/zinc/36/46/54/202364654.db2.gz ZFLJQELALKICDL-UHFFFAOYSA-N 1 0 329.494 4.374 1 0 EIAFRO COc1cc2cc(C)[n+](-c3ccc(Cl)cc3)c(C)c2c(OC)c1 ZINC000040421033 202439480 /nfs/dbraw/zinc/43/94/80/202439480.db2.gz NBFXCHKYMCSWSY-UHFFFAOYSA-N 1 0 328.819 4.404 1 0 EIAFRO Cc1ccccc1C1CC[NH+](C[C@@H]2CCc3cccnc3C(=O)C2)CC1 ZINC000040895934 202466355 /nfs/dbraw/zinc/46/63/55/202466355.db2.gz LYAALYRAVCYXJH-GOSISDBHSA-N 1 0 348.490 4.405 1 0 EIAFRO COc1ccc(-c2sc3ccccc3c2C[NH3+])c(OC)c1OC ZINC000045347387 202550749 /nfs/dbraw/zinc/55/07/49/202550749.db2.gz QKXHOKMHAQVBQD-UHFFFAOYSA-N 1 0 329.421 4.053 1 0 EIAFRO Cc1ccc(C(=O)NCC2CC[NH2+]CC2)c(-c2cccc(Cl)c2)c1 ZINC000049035555 202614299 /nfs/dbraw/zinc/61/42/99/202614299.db2.gz MLFQIWUGDUKCJZ-UHFFFAOYSA-N 1 0 342.870 4.045 1 0 EIAFRO Cc1c2cc([C@H]([NH3+])CC(C)C)ccc2sc1-c1ccnc(N)n1 ZINC000049035470 202614747 /nfs/dbraw/zinc/61/47/47/202614747.db2.gz NBFZFFNTBDLMKY-CQSZACIVSA-N 1 0 326.469 4.295 1 0 EIAFRO FC[C@@H]1OC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000073169212 203258806 /nfs/dbraw/zinc/25/88/06/203258806.db2.gz IBFFGCSUILIKLO-IBGZPJMESA-N 1 0 329.390 4.358 1 0 EIAFRO CCCc1ccc2c(c1)sc(=O)n2CCCC[NH+]1CCCCC1 ZINC000103293216 204072621 /nfs/dbraw/zinc/07/26/21/204072621.db2.gz BLHCMBHQQUDGTF-UHFFFAOYSA-N 1 0 332.513 4.282 1 0 EIAFRO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000013154397 563691666 /nfs/dbraw/zinc/69/16/66/563691666.db2.gz WPYJHCPYGNYTGC-JOGYUHMRSA-N 1 0 325.537 4.232 1 0 EIAFRO CC[N@@H+]1CC[C@]2(c3cccc(O)c3)Cc3[nH]c4ccccc4c3C[C@H]2C1 ZINC000003788134 210074916 /nfs/dbraw/zinc/07/49/16/210074916.db2.gz YLTJLEXSNAEPFO-GAJHUEQPSA-N 1 0 346.474 4.252 1 0 EIAFRO CC(C)[NH+](CC[C@]1(c2ccccc2)C[C@H]2CCCCN2C1=O)C(C)C ZINC000026275675 202141232 /nfs/dbraw/zinc/14/12/32/202141232.db2.gz NGTHSHJXZHWAHM-IFMALSPDSA-N 1 0 342.527 4.218 1 0 EIAFRO NC(=[NH2+])c1cccc(OCc2ccc(OCc3ccccc3)cc2)c1 ZINC000026578869 202145182 /nfs/dbraw/zinc/14/51/82/202145182.db2.gz UVJANBPFRCYQJB-UHFFFAOYSA-N 1 0 332.403 4.129 1 0 EIAFRO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@H](C)[NH2+]3)[C@@H]12 ZINC000028360324 202170349 /nfs/dbraw/zinc/17/03/49/202170349.db2.gz GEQKTSPOTKEYOG-MUBJNLQQSA-N 1 0 331.500 4.077 1 0 EIAFRO Clc1cccc(C[N@@H+]2CCC[C@@H](Nc3ccc4n[nH]cc4c3)C2)c1 ZINC000028642194 202173570 /nfs/dbraw/zinc/17/35/70/202173570.db2.gz KCHJGCRFBMOASW-GOSISDBHSA-N 1 0 340.858 4.293 1 0 EIAFRO CCC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc3cc(OC)ccc3c1)[N@@H+]2C ZINC000029325108 202184466 /nfs/dbraw/zinc/18/44/66/202184466.db2.gz NBXHPPSAAQZXHP-RJJVWVDVSA-N 1 0 337.463 4.394 1 0 EIAFRO NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc2c1 ZINC000029330588 202185699 /nfs/dbraw/zinc/18/56/99/202185699.db2.gz QLKRGEXAQONDBG-UHFFFAOYSA-N 1 0 328.375 4.306 1 0 EIAFRO C[C@H]1[C@H]2Cc3ccc(OC(=O)c4ccccc4)cc3[C@]1(C)CC[N@@H+]2C ZINC000029407538 202186560 /nfs/dbraw/zinc/18/65/60/202186560.db2.gz PIPQWCKFSXAYCI-ZAOYMGCJSA-N 1 0 335.447 4.060 1 0 EIAFRO CC(C)CN(Cc1c(F)cccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000036093155 202315377 /nfs/dbraw/zinc/31/53/77/202315377.db2.gz VRPFRMLBGQJJSX-UHFFFAOYSA-N 1 0 332.385 4.055 1 0 EIAFRO CCC[NH+]1CCC(COc2nc3sccc3n3cccc23)CC1 ZINC000040896193 202466377 /nfs/dbraw/zinc/46/63/77/202466377.db2.gz BJWMHMIHCAESMS-UHFFFAOYSA-N 1 0 329.469 4.050 1 0 EIAFRO c1c[nH]c(C[NH2+][C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1 ZINC000071296651 203091715 /nfs/dbraw/zinc/09/17/15/203091715.db2.gz AAUNKYISVHFCCQ-VXKWHMMOSA-N 1 0 346.474 4.484 1 0 EIAFRO C[N@@H+]1CCC[C@@H]1CCn1ccc2cc(NC(=N)c3ccco3)ccc21 ZINC000072105269 203163134 /nfs/dbraw/zinc/16/31/34/203163134.db2.gz SYMMSZFEDSWPQN-QGZVFWFLSA-N 1 0 336.439 4.156 1 0 EIAFRO Cc1cccc(-c2nc(Cn3cc(CC[NH3+])c4ccccc43)co2)c1 ZINC000072141135 203167518 /nfs/dbraw/zinc/16/75/18/203167518.db2.gz JXGUURNLLGKBOC-UHFFFAOYSA-N 1 0 331.419 4.154 1 0 EIAFRO C[C@]1([C@@]2(C)CCCC[NH2+]2)COC(c2ccccc2)(c2ccccc2)O1 ZINC000014952392 560227712 /nfs/dbraw/zinc/22/77/12/560227712.db2.gz LXSFMSNAFNZVIS-NHCUHLMSSA-N 1 0 337.463 4.225 1 0 in-vitro EIAFRO COc1cccc(OC)c1OCC[NH2+]Cc1cccc2ccccc21 ZINC000026386529 202142495 /nfs/dbraw/zinc/14/24/95/202142495.db2.gz PCJQHMFSVMRPCP-UHFFFAOYSA-N 1 0 337.419 4.026 1 0 EIAFRO O=C(NCC[NH2+]C1CCCCC1)[C@@H](c1ccccc1)C1CCCCC1 ZINC000026385974 202142808 /nfs/dbraw/zinc/14/28/08/202142808.db2.gz SHMZNQBOXVJZOJ-NRFANRHFSA-N 1 0 342.527 4.389 1 0 EIAFRO C[NH+](C)C[C@@H](c1ccc(C(F)(F)F)cc1)C1(O)CCCCCC1 ZINC000026733552 202147648 /nfs/dbraw/zinc/14/76/48/202147648.db2.gz DIJHWDLCXYFXRM-INIZCTEOSA-N 1 0 329.406 4.436 1 0 EIAFRO C[C@H]1C[NH+](CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1C ZINC000027431345 202154961 /nfs/dbraw/zinc/15/49/61/202154961.db2.gz QDBZAAWPKCEIBY-ROUUACIJSA-N 1 0 335.495 4.209 1 0 EIAFRO C[C@H]1C[NH2+]CCc2cc(OCc3ccccc3)c(Br)cc21 ZINC000028119129 202165579 /nfs/dbraw/zinc/16/55/79/202165579.db2.gz BNEIDDXVFTVOOR-ZDUSSCGKSA-N 1 0 346.268 4.277 1 0 EIAFRO CCCCOc1c(OC)cc(N[C@H](C)CCC[NH3+])c2nccc(C)c21 ZINC000028222301 202166964 /nfs/dbraw/zinc/16/69/64/202166964.db2.gz JYUUBTWSNUVHFG-OAHLLOKOSA-N 1 0 345.487 4.270 1 0 EIAFRO C[NH+](C)[C@H]1CCC[C@H]1N(C(=O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000028234612 202167874 /nfs/dbraw/zinc/16/78/74/202167874.db2.gz SQHRPYZOIIVCLJ-JKSUJKDBSA-N 1 0 341.282 4.219 1 0 EIAFRO CC[NH2+][C@H]1CCC[C@@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237415 202167964 /nfs/dbraw/zinc/16/79/64/202167964.db2.gz GKDCVGNKESHKGU-GJZGRUSLSA-N 1 0 329.271 4.267 1 0 EIAFRO CSc1sc(C(N)=[NH2+])cc1-c1nc(Cc2ccccc2)cs1 ZINC000028771047 202176881 /nfs/dbraw/zinc/17/68/81/202176881.db2.gz NPCBXIKUSHWJQE-UHFFFAOYSA-N 1 0 345.518 4.468 1 0 EIAFRO C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(O)cc3)[nH]2)CC1 ZINC000028473570 202171231 /nfs/dbraw/zinc/17/12/31/202171231.db2.gz SUCMSYMAZXOVRG-UHFFFAOYSA-N 1 0 333.435 4.259 1 0 EIAFRO Cc1c2ccccc2n2c1[C@@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000028566706 202172748 /nfs/dbraw/zinc/17/27/48/202172748.db2.gz CKABFUPLAGCURL-QGZVFWFLSA-N 1 0 341.252 4.405 1 0 EIAFRO COc1ccc(-c2cc(NCC[NH+](C)C)c3ccccc3n2)cc1F ZINC000028641436 202174513 /nfs/dbraw/zinc/17/45/13/202174513.db2.gz PNCKIOYMUIWPGH-UHFFFAOYSA-N 1 0 339.414 4.023 1 0 EIAFRO CC(C)C1CCC([NH+]2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000028765474 202177013 /nfs/dbraw/zinc/17/70/13/202177013.db2.gz UBTRYWQKIWBIDS-OTGCGEFBSA-N 1 0 347.547 4.002 1 0 EIAFRO OC1(c2ccco2)CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028817151 202177656 /nfs/dbraw/zinc/17/76/56/202177656.db2.gz RANYWKODIKNHDB-UHFFFAOYSA-N 1 0 333.431 4.353 1 0 in-vivo EIAFRO CCC[N@@H+]1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1ccccc1C3 ZINC000029041762 202180910 /nfs/dbraw/zinc/18/09/10/202180910.db2.gz NKKUZNDFNOKSJF-LJQANCHMSA-N 1 0 337.463 4.160 1 0 EIAFRO Clc1cccc(O[C@@H](c2ccccc2)[C@@H]2C[NH2+]CCO2)c1Cl ZINC000029050287 202181011 /nfs/dbraw/zinc/18/10/11/202181011.db2.gz PPEMPAPSRLGSIO-RDJZCZTQSA-N 1 0 338.234 4.102 1 0 EIAFRO CCC[NH+](CCC)[C@@H]1COc2c(cccc2C(=O)c2ccccc2)C1 ZINC000029343681 202185911 /nfs/dbraw/zinc/18/59/11/202185911.db2.gz GUEHAKSGYHUPRR-IBGZPJMESA-N 1 0 337.463 4.343 1 0 EIAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccccc2C)[N@@H+]3C)cc1 ZINC000036177299 202317458 /nfs/dbraw/zinc/31/74/58/202317458.db2.gz SUEIJSZDTKIXCI-FCIYXJNOSA-N 1 0 349.474 4.475 1 0 EIAFRO Cc1c(Cl)c(Cl)ccc1C(=O)N(CC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000045244975 202545991 /nfs/dbraw/zinc/54/59/91/202545991.db2.gz JVIKPFIJPCEZJS-LBPRGKRZSA-N 1 0 343.298 4.152 1 0 EIAFRO COc1ccc([C@@H]2C[C@@H]2C2=[NH+]CCc3cc(Cl)c(O)cc3N2)cc1 ZINC000045298375 202549379 /nfs/dbraw/zinc/54/93/79/202549379.db2.gz VPKCLHWPSFNHSU-GJZGRUSLSA-N 1 0 342.826 4.224 1 0 EIAFRO CC(C)(Cc1cccc2ccccc21)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000045496733 202553176 /nfs/dbraw/zinc/55/31/76/202553176.db2.gz PJHBLXHDNLLBTE-HXUWFJFHSA-N 1 0 349.474 4.190 1 0 EIAFRO C[C@@H]1[C@H]2C[C@@H](C[C@H]1[NH2+]Cc1coc(-c3ccc(O)cc3)n1)C2(C)C ZINC000072181705 203182317 /nfs/dbraw/zinc/18/23/17/203182317.db2.gz XTODPSLMGDNQAE-KBEZCGTCSA-N 1 0 326.440 4.208 1 0 EIAFRO C[NH+](C)CC(C)(C)CNCc1coc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000072183025 203182607 /nfs/dbraw/zinc/18/26/07/203182607.db2.gz VEEOICYHHNQPTI-UHFFFAOYSA-N 1 0 343.515 4.317 1 0 EIAFRO COc1ccc(-c2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)co2)cc1 ZINC000072186287 203183307 /nfs/dbraw/zinc/18/33/07/203183307.db2.gz GYIVISSWHZSHID-UHFFFAOYSA-N 1 0 338.451 4.409 1 0 EIAFRO [NH3+]C1CCC(NC(=O)N2c3ccccc3C=Cc3ccccc32)CC1 ZINC000103231487 204068480 /nfs/dbraw/zinc/06/84/80/204068480.db2.gz WPFQVESEQAUSEG-UHFFFAOYSA-N 1 0 333.435 4.288 1 0 EIAFRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000012659059 207188717 /nfs/dbraw/zinc/18/87/17/207188717.db2.gz JTFAPYUEBOLXAA-OHNKGQGDSA-N 1 0 333.516 4.176 1 0 EIAFRO C[C@]1([C@]2(C)CCCC[NH2+]2)COC(c2ccccc2)(c2ccccc2)O1 ZINC000002015233 560185727 /nfs/dbraw/zinc/18/57/27/560185727.db2.gz LXSFMSNAFNZVIS-LEWJYISDSA-N 1 0 337.463 4.225 1 0 in-vitro EIAFRO CCCCN(CCCC)C(=O)/C(=C\[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000013529978 201899500 /nfs/dbraw/zinc/89/95/00/201899500.db2.gz HBTSQQJNGHWRJH-QGBVPWCLSA-N 1 0 328.500 4.251 1 0 EIAFRO c1ccc([C@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@H]3CCCC[N@H+]32)nc1 ZINC000019328152 202003671 /nfs/dbraw/zinc/00/36/71/202003671.db2.gz VZXICYSIGYOTKX-CEMLEFRQSA-N 1 0 344.462 4.029 1 0 EIAFRO COc1cccc2c1N[C@@H]1[C@@H]2CC[NH2+][C@H]1Cc1cccc2ccccc21 ZINC000026662130 202146726 /nfs/dbraw/zinc/14/67/26/202146726.db2.gz MDJXRHFEZCHQBQ-RZUBCFFCSA-N 1 0 344.458 4.331 1 0 EIAFRO c1ccc(C(CCNC2=[NH+][C@H]3CCCC[C@@H]3N2)c2ccccc2)cc1 ZINC000027106015 202151806 /nfs/dbraw/zinc/15/18/06/202151806.db2.gz JWACZJYBPSHELR-SFTDATJTSA-N 1 0 333.479 4.069 1 0 EIAFRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2cccc3ccc(N)nc32)C1 ZINC000028385771 202169921 /nfs/dbraw/zinc/16/99/21/202169921.db2.gz UBLUGNHBXHKVSI-RTBURBONSA-N 1 0 347.462 4.421 1 0 EIAFRO C[NH+](C)C[C@@H]1C[C@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 ZINC000028523813 202171353 /nfs/dbraw/zinc/17/13/53/202171353.db2.gz BSOLCASXROXPRZ-RFUYNDQBSA-N 1 0 329.440 4.466 1 0 EIAFRO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1cccc(F)c1 ZINC000028528332 202172911 /nfs/dbraw/zinc/17/29/11/202172911.db2.gz KXIJTDNPSISYKD-KRWDZBQOSA-N 1 0 327.443 4.429 1 0 EIAFRO c1ccc2c(c1)[nH]c1c2C[N@H+](CCc2ccc3ccccc3n2)CC1 ZINC000029486936 202188062 /nfs/dbraw/zinc/18/80/62/202188062.db2.gz AIQHLPHYTDDMQV-UHFFFAOYSA-N 1 0 327.431 4.317 1 0 EIAFRO Clc1ccc(Cl)c(C[C@@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000036093222 202314049 /nfs/dbraw/zinc/31/40/49/202314049.db2.gz ZDQCOGINXTZCCG-SFHVURJKSA-N 1 0 335.278 4.182 1 0 EIAFRO C[N@@H+]1CC[C@@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3[C@@H]1C2 ZINC000036215686 202318686 /nfs/dbraw/zinc/31/86/86/202318686.db2.gz JNYHIUUHNNPPEZ-FCHUYYIVSA-N 1 0 330.431 4.201 1 0 EIAFRO CC(=O)Nc1sc2c(c1-c1csc3ccccc31)CC[NH2+]C2 ZINC000036382657 202324285 /nfs/dbraw/zinc/32/42/85/202324285.db2.gz ZKVYIGYUDDBTED-UHFFFAOYSA-N 1 0 328.462 4.234 1 0 EIAFRO CC[C@H](C)[NH+]1CCC(COc2nc3ccsc3n3cccc23)CC1 ZINC000040891607 202467001 /nfs/dbraw/zinc/46/70/01/202467001.db2.gz CGQIHTJBNZVMIH-AWEZNQCLSA-N 1 0 343.496 4.438 1 0 EIAFRO NC(=[NH2+])c1ccc2[nH]c(-c3cc(F)cc(Br)c3)cc2c1 ZINC000043058910 202507318 /nfs/dbraw/zinc/50/73/18/202507318.db2.gz WNGUMIAZYAHUHA-UHFFFAOYSA-N 1 0 332.176 4.021 1 0 EIAFRO c1cc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)cc2c1OCO2 ZINC000072179460 203182636 /nfs/dbraw/zinc/18/26/36/203182636.db2.gz SJTLVMWWYORGEH-UHFFFAOYSA-N 1 0 339.435 4.337 1 0 EIAFRO Cc1ccc(Cn2c3ccccc3nc2[C@@H]2C[NH2+]CCS2)cc1C ZINC000073222247 203260859 /nfs/dbraw/zinc/26/08/59/203260859.db2.gz KBGQPWUGZPIFFY-IBGZPJMESA-N 1 0 337.492 4.079 1 0 EIAFRO [NH3+]CCSC(c1ccccc1)(c1ccccc1)c1cccc(O)c1 ZINC000084632596 203533981 /nfs/dbraw/zinc/53/39/81/203533981.db2.gz ADYMGXUUCQNFFP-UHFFFAOYSA-N 1 0 335.472 4.376 1 0 EIAFRO CCc1ccc(C[NH+]2CCC3(CC2)OCCc2sccc23)s1 ZINC000084740970 203538009 /nfs/dbraw/zinc/53/80/09/203538009.db2.gz USMFHPOYQFHGLC-UHFFFAOYSA-N 1 0 333.522 4.436 1 0 EIAFRO O=c1cc(-c2ccccc2)c2ccccc2n1C[C@@H]1C[NH+]2CCC1CC2 ZINC000095586596 203763955 /nfs/dbraw/zinc/76/39/55/203763955.db2.gz GIVLVDCIMORORF-IBGZPJMESA-N 1 0 344.458 4.010 1 0 EIAFRO CCN(C(=O)c1ccccc1Cc1ccccc1)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000096940003 203902876 /nfs/dbraw/zinc/90/28/76/203902876.db2.gz HEXWTAWXFGXPSE-VQTJNVASSA-N 1 0 336.479 4.009 1 0 EIAFRO Oc1ccc2c(c1)CC[N@H+]([C@H]1CC[C@H](c3ccccc3)CC1)C[C@H]2O ZINC000101376907 204005655 /nfs/dbraw/zinc/00/56/55/204005655.db2.gz GUYOIYKANZNIKE-ZWCUEREDSA-N 1 0 337.463 4.010 1 0 EIAFRO CC(=O)C[C@H]1c2ccccc2[NH+]=C(n2ccnc2)N1c1ccc(F)cc1 ZINC000103176590 204065103 /nfs/dbraw/zinc/06/51/03/204065103.db2.gz IJVNBZLPBLFYRW-IBGZPJMESA-N 1 0 348.381 4.098 1 0 EIAFRO Cc1cc(N)c2cc(NC(=O)CCc3ccccc3Cl)ccc2[nH+]1 ZINC000103236418 204069456 /nfs/dbraw/zinc/06/94/56/204069456.db2.gz VFOVZOHRPOQLCC-UHFFFAOYSA-N 1 0 339.826 4.350 1 0 EIAFRO O[C@@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 ZINC000045303006 204320373 /nfs/dbraw/zinc/32/03/73/204320373.db2.gz HBFZRYCJHBPJDA-BMRMXDDPSA-N 1 0 339.401 4.297 1 0 EIAFRO Cc1cccc(C)c1C1=CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000040380641 132399259 /nfs/dbraw/zinc/39/92/59/132399259.db2.gz CXRPNLXEOUCETI-OAQYLSRUSA-N 1 0 347.506 4.457 1 0 EIAFRO Clc1ccccc1-c1ccc2ncnc(NC3CC[NH2+]CC3)c2c1 ZINC000004265469 210155447 /nfs/dbraw/zinc/15/54/47/210155447.db2.gz CQZSKJJQTXBOJL-UHFFFAOYSA-N 1 0 338.842 4.114 1 0 EIAFRO CC[C@@H](C)OCC[C@]1(c2ccc(Cl)c(Cl)c2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000101944098 219174566 /nfs/dbraw/zinc/17/45/66/219174566.db2.gz FSLROBKNJCTZIC-CVGURMSBSA-N 1 0 328.283 4.286 1 0 EIAFRO CC(C)C[NH+]1CCC2(CCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000003955751 210095275 /nfs/dbraw/zinc/09/52/75/210095275.db2.gz KIBQGBPABYXGOT-UHFFFAOYSA-N 1 0 330.472 4.019 1 0 EIAFRO CCCC[N@H+](CC)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)o1 ZINC000003589086 210058487 /nfs/dbraw/zinc/05/84/87/210058487.db2.gz ZOOAYZKCGLVUPH-UHFFFAOYSA-N 1 0 347.434 4.362 3 0 EIAFRO C[NH+](C)CC/N=c1/cc(-c2ccccc2)oc2ccc(Cl)cc21 ZINC000102642460 219217492 /nfs/dbraw/zinc/21/74/92/219217492.db2.gz CGCPHTXCNKUKRK-FXBPSFAMSA-N 1 0 326.827 4.216 1 0 EIAFRO Nc1ccc(-c2cc(=O)c3cc(C[NH+]4CCCCC4)ccc3o2)cc1 ZINC000103217846 219271444 /nfs/dbraw/zinc/27/14/44/219271444.db2.gz WXXIQUCIQOPODU-UHFFFAOYSA-N 1 0 334.419 4.028 1 0 EIAFRO CC(C)NC(=[NH2+])c1ccc2nc(Nc3ccc(Cl)cn3)sc2c1 ZINC000040915384 213399499 /nfs/dbraw/zinc/39/94/99/213399499.db2.gz BGSQQEKSDHRYRL-UHFFFAOYSA-N 1 0 345.859 4.412 1 0 EIAFRO Cc1cccnc1Nc1nc2ccc(C(=[NH2+])NC(C)C)cc2s1 ZINC000040898518 213398487 /nfs/dbraw/zinc/39/84/87/213398487.db2.gz FPNDRECDEHXQLE-UHFFFAOYSA-N 1 0 325.441 4.067 1 0 EIAFRO CCC[NH+]1CCC(COc2nc3scc(C)c3n3cccc23)CC1 ZINC000040891822 213397208 /nfs/dbraw/zinc/39/72/08/213397208.db2.gz FZGWDCDUMFWUEO-UHFFFAOYSA-N 1 0 343.496 4.358 1 0 EIAFRO Brc1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1CO2 ZINC000040801729 213387850 /nfs/dbraw/zinc/38/78/50/213387850.db2.gz UEDNWQXXCKIYMD-RHSMWYFYSA-N 1 0 344.252 4.057 1 0 EIAFRO C[NH+](C)CCCN1CC=C2c3ccccc3C(c3ccccc3)=C2C1 ZINC000039223510 213233433 /nfs/dbraw/zinc/23/34/33/213233433.db2.gz IUCMBTQHNPCJQC-UHFFFAOYSA-N 1 0 330.475 4.153 1 0 EIAFRO Cn1cc[n+](C)c1/C=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000038822468 213226650 /nfs/dbraw/zinc/22/66/50/213226650.db2.gz CGSJOHHUPYWJMZ-CSKARUKUSA-N 1 0 344.232 4.043 1 0 EIAFRO C[NH+]1CCC(n2ccc3cc(NC(=N)c4cccs4)ccc32)CC1 ZINC000072105364 216009259 /nfs/dbraw/zinc/00/92/59/216009259.db2.gz NWWYETOECIPWOT-UHFFFAOYSA-N 1 0 338.480 4.407 1 0 EIAFRO C[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1 ZINC000072118901 216012506 /nfs/dbraw/zinc/01/25/06/216012506.db2.gz YTGZLSKWVMTXBW-JTQLQIEISA-N 1 0 337.320 4.262 1 0 EIAFRO Cc1cccc2c([C@H](O)[C@@H]3CCCC[NH2+]3)cc(-c3ccccc3)nc12 ZINC000027523800 212561131 /nfs/dbraw/zinc/56/11/31/212561131.db2.gz VBGIETLZISGHRP-UGKGYDQZSA-N 1 0 332.447 4.386 1 0 EIAFRO Clc1ccc(CCN2CCC[C@H]2C[NH+]2CCCC2)cc1Cl ZINC000022935736 212337928 /nfs/dbraw/zinc/33/79/28/212337928.db2.gz KLIHGCYEZYMBSX-HNNXBMFYSA-N 1 0 327.299 4.096 1 0 EIAFRO C[NH+](C)[C@@H]1[C@@H](c2ccccc2)[C@H]2CC[C@@H]1[C@@H](OC(=O)c1ccccc1)C2 ZINC000013802285 211640732 /nfs/dbraw/zinc/64/07/32/211640732.db2.gz RNZUABSIOANGLF-WIYBCGNWSA-N 1 0 349.474 4.356 1 0 EIAFRO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)Oc2ccccc2C)[N@@H+]3C)cc1 ZINC000013740257 211627968 /nfs/dbraw/zinc/62/79/68/211627968.db2.gz SUEIJSZDTKIXCI-HIUFNZKISA-N 1 0 349.474 4.475 1 0 EIAFRO COc1cc2c(cc1OC)C[N@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000000761359 563363024 /nfs/dbraw/zinc/36/30/24/563363024.db2.gz SCXFGMGLNMAOAA-ROUUACIJSA-N 1 0 327.468 4.054 1 0 EIAFRO Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1C[NH2+]C1 ZINC000066112440 215014814 /nfs/dbraw/zinc/01/48/14/215014814.db2.gz WYYIFGYFQYWQOA-UHFFFAOYSA-N 1 0 328.170 4.275 1 0 EIAFRO CC[NH+](CC)CCOc1cccc2c(NC(=O)C(C)C)cccc12 ZINC000103214769 219271838 /nfs/dbraw/zinc/27/18/38/219271838.db2.gz BOYLIYHQFRYURN-UHFFFAOYSA-N 1 0 328.456 4.155 1 0 EIAFRO NC1=[NH+][C@@H](C2CCCCC2)C[C@H]2CC[C@H](CCc3ccccc3)N12 ZINC000103262063 219277974 /nfs/dbraw/zinc/27/79/74/219277974.db2.gz UCGDMJQHYPEZDD-XUVXKRRUSA-N 1 0 325.500 4.329 1 0 EIAFRO CN1C(=O)[C@@H](C[NH+]2CCCCC2)C[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000040872393 213396210 /nfs/dbraw/zinc/39/62/10/213396210.db2.gz ZJKAIWIQCVGYKH-YADHBBJMSA-N 1 0 348.490 4.359 1 0 EIAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2cccc(C)c2)[N@@H+]3C)cc1 ZINC000036271119 213080090 /nfs/dbraw/zinc/08/00/90/213080090.db2.gz YWDPQXQHYYMNDR-RYFAJOAYSA-N 1 0 349.474 4.475 1 0 EIAFRO Clc1ccc(C[C@@H](c2ccccc2)N2CC[NH2+]CC2)c(Cl)c1 ZINC000036093336 213063636 /nfs/dbraw/zinc/06/36/36/213063636.db2.gz FABMPYBEKUUBIW-SFHVURJKSA-N 1 0 335.278 4.182 1 0 EIAFRO CC(C)CN(Cc1ccc(C(F)(F)F)cc1F)C1CC[NH2+]CC1 ZINC000036093184 213062080 /nfs/dbraw/zinc/06/20/80/213062080.db2.gz RYBKAECQSIBTTL-UHFFFAOYSA-N 1 0 332.385 4.055 1 0 EIAFRO C[N@@H+]1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 ZINC000035273580 213017075 /nfs/dbraw/zinc/01/70/75/213017075.db2.gz UJXAGMVNACHDOG-MOPGFXCFSA-N 1 0 325.477 4.114 1 0 EIAFRO CC[NH+](CC)CCOc1ccc2c3c1ccnc3-c1ccccc1C2=O ZINC000071341519 215764093 /nfs/dbraw/zinc/76/40/93/215764093.db2.gz CNPWXPJDNUFTRA-UHFFFAOYSA-N 1 0 346.430 4.167 1 0 EIAFRO CC[NH2+][C@@H]1CCC[C@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237421 212608646 /nfs/dbraw/zinc/60/86/46/212608646.db2.gz GKDCVGNKESHKGU-HUUCEWRRSA-N 1 0 329.271 4.267 1 0 EIAFRO Fc1ccc(OCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000073239729 216368431 /nfs/dbraw/zinc/36/84/31/216368431.db2.gz TYJIKVPYZAVEMZ-UHFFFAOYSA-N 1 0 348.849 4.070 1 0 EIAFRO COc1ccc(SC)cc1CN[C@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000022938138 212337610 /nfs/dbraw/zinc/33/76/10/212337610.db2.gz ZNDUAKAGHPMVGL-ICSRJNTNSA-N 1 0 342.508 4.000 1 0 EIAFRO c1c(-c2ccc(OCCC[NH+]3CCCCC3)cc2)nc2ccccn12 ZINC000013489849 211567384 /nfs/dbraw/zinc/56/73/84/211567384.db2.gz FBBRTTSMECGKJX-UHFFFAOYSA-N 1 0 335.451 4.256 1 0 EIAFRO FC(F)(F)c1cccc(N2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000004980810 563516923 /nfs/dbraw/zinc/51/69/23/563516923.db2.gz FIAOAIAXJRLEKI-OWCLPIDISA-N 1 0 336.401 4.040 1 0 EIAFRO CCOC(=O)c1cc2c3ccccc3[nH]c2c(C)[n+]1Cc1ccccc1 ZINC000049808553 214033793 /nfs/dbraw/zinc/03/37/93/214033793.db2.gz UMPZPSRZPJUAAR-UHFFFAOYSA-O 1 0 345.422 4.142 1 0 EIAFRO CC(=O)N1CCC[C@@]2(CC[N@@H+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000003955939 210096349 /nfs/dbraw/zinc/09/63/49/210096349.db2.gz ROUXOLIBBLTPRH-HSZRJFAPSA-N 1 0 348.490 4.110 1 0 EIAFRO CN1C(=[NH2+])N2[C@H](CC[C@@H]2CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000103262133 219277582 /nfs/dbraw/zinc/27/75/82/219277582.db2.gz RJJBQNLWIDSKGI-PWRODBHTSA-N 1 0 333.479 4.464 1 0 EIAFRO COc1cc(CCc2ccc(CCCCCCC[NH3+])o2)ccc1O ZINC000085624486 291007972 /nfs/dbraw/zinc/00/79/72/291007972.db2.gz IQLWORMURZRWLG-UHFFFAOYSA-N 1 0 331.456 4.231 1 0 biogenic,in-vitro EIAFRO CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC[NH2+]C2 ZINC000036381555 213092555 /nfs/dbraw/zinc/09/25/55/213092555.db2.gz FOQRQYRINCSWQP-UHFFFAOYSA-N 1 0 343.477 4.019 3 0 EIAFRO Cc1ccn(C[C@]23C[C@@]2(c2ccc(Cl)c(Cl)c2)CC[NH2+]C3)c1 ZINC000072114433 216011395 /nfs/dbraw/zinc/01/13/95/216011395.db2.gz SOSAAAUSVCKKRE-QZTJIDSGSA-N 1 0 335.278 4.425 1 0 EIAFRO c1oc(-c2cccc3ccccc32)nc1CNCCC[NH+]1CCCC1 ZINC000072181586 216067429 /nfs/dbraw/zinc/06/74/29/216067429.db2.gz ANUGAXCKIAFHFB-UHFFFAOYSA-N 1 0 335.451 4.070 1 0 EIAFRO CCCC1CCC([NH+]2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000028766111 212635608 /nfs/dbraw/zinc/63/56/08/212635608.db2.gz DNNKEQQXHHYJON-OTGCGEFBSA-N 1 0 347.547 4.146 1 0 EIAFRO O=C(NCC[NH2+]C1CCCCC1)[C@H](c1ccccc1)C1CCCCC1 ZINC000026385970 212517890 /nfs/dbraw/zinc/51/78/90/212517890.db2.gz SHMZNQBOXVJZOJ-OAQYLSRUSA-N 1 0 342.527 4.389 1 0 EIAFRO FC(F)(F)c1ccc(Sc2ccc(NC3=[NH+]CCN3)cc2)cc1 ZINC000025995333 212504380 /nfs/dbraw/zinc/50/43/80/212504380.db2.gz FTNQLOBIHBFXGY-UHFFFAOYSA-N 1 0 337.370 4.228 1 0 EIAFRO C[NH+]1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000016082001 211880668 /nfs/dbraw/zinc/88/06/68/211880668.db2.gz OWGJQNXIWMMDTH-GXRSIYKFSA-N 1 0 339.479 4.087 1 0 EIAFRO Cc1ccccc1C(=O)O[C@H](CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000013684582 211608699 /nfs/dbraw/zinc/60/86/99/211608699.db2.gz JQQYUOWDFUWBPW-GOSISDBHSA-N 1 0 331.843 4.498 1 0 EIAFRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc2c(nc(-c3ccco3)nc2N)s1 ZINC000118592967 221160545 /nfs/dbraw/zinc/16/05/45/221160545.db2.gz PVOIMUIDWFQGQH-TXEJJXNPSA-N 1 0 342.468 4.296 1 0 EIAFRO Cc1cccc(C)c1C1=CC[C@H]([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000040380640 132399216 /nfs/dbraw/zinc/39/92/16/132399216.db2.gz CXRPNLXEOUCETI-NRFANRHFSA-N 1 0 347.506 4.457 1 0 EIAFRO CCCC[C@@H]1CN(c2cc(OC)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000028821803 135741740 /nfs/dbraw/zinc/74/17/40/135741740.db2.gz PREGFYVMCPMPHS-WBMJQRKESA-N 1 0 330.394 4.058 1 0 EIAFRO Cn1c2ccccc2n(CCOc2ccc(-c3ccccc3)cc2)c1=N ZINC000169310410 226240776 /nfs/dbraw/zinc/24/07/76/226240776.db2.gz UGKDDPBDIQEZDD-UHFFFAOYSA-N 1 0 343.430 4.205 1 0 EIAFRO C[C@@H]1[NH2+]C(C)(C)CO[C@@]1(O)c1cccc(-c2cccc3ccccc32)c1 ZINC000053243061 214173181 /nfs/dbraw/zinc/17/31/81/214173181.db2.gz FZKVHQCDVIXSMY-QMHKHESXSA-N 1 0 347.458 4.439 1 0 EIAFRO Oc1ccc2c(c1)CC[N@H+]([C@H]1CC[C@@H](c3ccccc3)CC1)C[C@@H]2O ZINC000101376767 219125404 /nfs/dbraw/zinc/12/54/04/219125404.db2.gz GUYOIYKANZNIKE-JLMWRMLUSA-N 1 0 337.463 4.010 1 0 EIAFRO C[NH+](C)CCCN1C(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000003809430 210075528 /nfs/dbraw/zinc/07/55/28/210075528.db2.gz FFVMPNLCXIWZLV-SFHVURJKSA-N 1 0 343.858 4.229 1 0 EIAFRO COc1cccc2c1N[C@H]1[C@@H]2CC[NH2+][C@@H]1Cc1cccc2ccccc21 ZINC000040460478 213307068 /nfs/dbraw/zinc/30/70/68/213307068.db2.gz MDJXRHFEZCHQBQ-SJBKTWHCSA-N 1 0 344.458 4.331 1 0 EIAFRO C[NH2+]C[C@H]1CN1[C@@H]1C=CC[C@@]2(C)[C@@]13CC1=C(C)CC[C@@]12[C@H](C)CC3 ZINC000085548288 291006934 /nfs/dbraw/zinc/00/69/34/291006934.db2.gz YKMCBIXVHAACBC-RMEBXJKBSA-N 1 0 326.528 4.142 1 0 biogenic,in-vitro EIAFRO CCCC[C@H]([NH3+])CCCCCC[C@H](C=CC(=O)[O-])NC1=[NH+]CC=C1 ZINC000085510411 291006493 /nfs/dbraw/zinc/00/64/93/291006493.db2.gz QACAYNNIVKQBHR-LHMZYYNSSA-N 1 0 334.484 4.080 1 0 biogenic,in-vitro EIAFRO CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3)ccc2[nH+]1 ZINC000038149795 213204130 /nfs/dbraw/zinc/20/41/30/213204130.db2.gz PWQSXBRFDPQGOC-FMIVXFBMSA-N 1 0 331.419 4.421 1 0 in-vivo EIAFRO Clc1ccc(Cl)c(C[C@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000036093221 213062022 /nfs/dbraw/zinc/06/20/22/213062022.db2.gz ZDQCOGINXTZCCG-GOSISDBHSA-N 1 0 335.278 4.182 1 0 EIAFRO Clc1cccc(Cl)c1C[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000036093211 213061225 /nfs/dbraw/zinc/06/12/25/213061225.db2.gz QYPSCQLKEMPYGY-GOSISDBHSA-N 1 0 335.278 4.182 1 0 EIAFRO CCOC1(OCC)[C@H]2c3cccc[n+]3[C@H](c3cccc(C)c32)C1(C)C ZINC000027517561 212560945 /nfs/dbraw/zinc/56/09/45/212560945.db2.gz DNFVMODMZCENJC-VQTJNVASSA-N 1 0 338.471 4.126 1 0 EIAFRO C[NH+]1CCN([C@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1 ZINC000022937759 212338512 /nfs/dbraw/zinc/33/85/12/212338512.db2.gz OUTQVQKOJHLKNN-ICSRJNTNSA-N 1 0 326.871 4.164 1 0 EIAFRO C[NH+]1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 ZINC000022937773 212337324 /nfs/dbraw/zinc/33/73/24/212337324.db2.gz JBFVCXODUHNOEN-ICSRJNTNSA-N 1 0 344.861 4.303 1 0 EIAFRO C/C1=C/CC/C(C)=C\[C@H]2OC(=O)[C@@H](C[NH+]3CCC(C)CC3)[C@@H]2CC1 ZINC000169354731 527544008 /nfs/dbraw/zinc/54/40/08/527544008.db2.gz FAEJVRZJKQNLJF-JJUYAFCESA-N 1 0 331.500 4.343 1 0 EIAFRO COc1cc2[nH+]c(-c3ccccc3)cc(-n3ccnc3)c2c(OC)c1 ZINC000098085123 219081125 /nfs/dbraw/zinc/08/11/25/219081125.db2.gz TZSRESUMYOIXEO-UHFFFAOYSA-N 1 0 331.375 4.105 1 0 EIAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H]1c3ccccc3C=Cc3ncccc31)C2 ZINC000100367529 219097320 /nfs/dbraw/zinc/09/73/20/219097320.db2.gz DPNODNPIXASWQY-FBAVSBLXSA-N 1 0 332.447 4.297 1 0 in-man EIAFRO Fc1cccc(Cl)c1Oc1cccc(F)c1O[C@@H]1CC[NH2+]C1 ZINC000066112228 215014667 /nfs/dbraw/zinc/01/46/67/215014667.db2.gz PDVOMSJUMYNNBT-SNVBAGLBSA-N 1 0 325.742 4.151 1 0 EIAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CC(CO)(c1ccccc1)c1ccccc1)C2 ZINC000103232170 219273388 /nfs/dbraw/zinc/27/33/88/219273388.db2.gz CHLSHLSJSIBNQZ-FJPGZJACSA-N 1 0 335.491 4.228 1 0 EIAFRO C[N@H+](Cc1ccccc1)[C@H]1CCc2[nH]c3c(cc(F)cc3F)c2C1 ZINC000039214094 213232018 /nfs/dbraw/zinc/23/20/18/213232018.db2.gz PZCMACIGIKNXMB-HNNXBMFYSA-N 1 0 326.390 4.435 1 0 EIAFRO COc1cc2cc[n+](CCc3ccc(Cl)cc3)cc2cc1OC ZINC000071294744 215755131 /nfs/dbraw/zinc/75/51/31/215755131.db2.gz DDGZZFOKZNZJDB-UHFFFAOYSA-N 1 0 328.819 4.041 1 0 EIAFRO CN1CCC[N@H+](CCn2ccc3ccc(-c4ccsc4)cc32)CC1 ZINC000022939939 212337693 /nfs/dbraw/zinc/33/76/93/212337693.db2.gz JNDHOBPZAWAQFJ-UHFFFAOYSA-N 1 0 339.508 4.007 1 0 EIAFRO Fc1ccc([C@@H]2[NH+]=C(N3CCCC3)NC3=C2CCc2ccccc23)cc1 ZINC000045290587 213721514 /nfs/dbraw/zinc/72/15/14/213721514.db2.gz ZFLAGWPSGMOXBW-FQEVSTJZSA-N 1 0 347.437 4.279 1 0 EIAFRO FC(F)(F)c1cccc(N2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000004980808 563516984 /nfs/dbraw/zinc/51/69/84/563516984.db2.gz FIAOAIAXJRLEKI-PMPSAXMXSA-N 1 0 336.401 4.040 1 0 EIAFRO C(=C/C1=CC[N@H+](CCc2cc3cccnc3[nH]2)CC1)\c1ccccc1 ZINC000027650201 581092146 /nfs/dbraw/zinc/09/21/46/581092146.db2.gz ZCOIFCGQTTYDFL-CMDGGOBGSA-N 1 0 329.447 4.451 1 0 EIAFRO c1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H]2CNc3ccccc3O2)CC1 ZINC000053267999 214173573 /nfs/dbraw/zinc/17/35/73/214173573.db2.gz VSXPSCOXEGOPID-KRWDZBQOSA-N 1 0 345.446 4.130 1 0 EIAFRO C[N@@H+]1C[C@H](CSc2ccccn2)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000004217573 210144746 /nfs/dbraw/zinc/14/47/46/210144746.db2.gz VCRAKEDGLIINLR-AUUYWEPGSA-N 1 0 347.487 4.225 1 0 in-man EIAFRO O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1)c1ccccc1 ZINC000101644896 219150614 /nfs/dbraw/zinc/15/06/14/219150614.db2.gz ZVQCTZVWEBSXKK-AERCQKQUSA-N 1 0 335.447 4.082 1 0 in-vitro EIAFRO COc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000003982035 210096774 /nfs/dbraw/zinc/09/67/74/210096774.db2.gz JHFAAJOOTIXXGZ-QGZVFWFLSA-N 1 0 338.451 4.191 1 0 EIAFRO CCCc1cc(N)c2cc(NC(=O)CCc3ccccc3)ccc2[nH+]1 ZINC000034322395 212976601 /nfs/dbraw/zinc/97/66/01/212976601.db2.gz PUTFBYWJVTVHRL-UHFFFAOYSA-N 1 0 333.435 4.341 1 0 EIAFRO C[C@@H]1[C@H]2C[C@@H](C[C@@H]1[NH2+]Cc1coc(-c3ccc(O)cc3)n1)C2(C)C ZINC000072181704 216067267 /nfs/dbraw/zinc/06/72/67/216067267.db2.gz XTODPSLMGDNQAE-OLUCIUBSSA-N 1 0 326.440 4.208 1 0 EIAFRO COc1cccc(-c2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)co2)c1 ZINC000072183147 216067584 /nfs/dbraw/zinc/06/75/84/216067584.db2.gz ZKMUSSFKNNELQX-UHFFFAOYSA-N 1 0 338.451 4.409 1 0 EIAFRO C[NH+](C)CC[C@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1 ZINC000028653901 212631286 /nfs/dbraw/zinc/63/12/86/212631286.db2.gz BBHIOAOQYULUDC-IBGZPJMESA-N 1 0 344.886 4.082 1 0 EIAFRO CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3c(C)cccc32)C1(C)C ZINC000027442894 212558735 /nfs/dbraw/zinc/55/87/35/212558735.db2.gz GZUWNHDNANLVKW-PMACEKPBSA-N 1 0 338.471 4.126 1 0 EIAFRO C[C@@H]1C[NH+](CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1C ZINC000026577063 212526664 /nfs/dbraw/zinc/52/66/64/212526664.db2.gz QDBZAAWPKCEIBY-QZTJIDSGSA-N 1 0 335.495 4.209 1 0 EIAFRO Cc1ccc(-c2cccc(-c3ccc(C[NH2+]CCN(C)C)cc3)n2)cc1 ZINC000022590804 212307999 /nfs/dbraw/zinc/30/79/99/212307999.db2.gz FPLQEUULNMWXCK-UHFFFAOYSA-N 1 0 345.490 4.375 1 0 EIAFRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H]1CC[NH2+]1 ZINC000118933932 221205454 /nfs/dbraw/zinc/20/54/54/221205454.db2.gz KDUCRLNKTPIPLA-OLQSOZGJSA-N 1 0 329.528 4.288 1 0 EIAFRO C[C@H]1CC[C@H](C)[NH+]1C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000169301317 533740796 /nfs/dbraw/zinc/74/07/96/533740796.db2.gz PASGDOWIXPAUQU-BBTUJRGHSA-N 1 0 339.479 4.026 1 0 EIAFRO C[C@@]1([C@@]2(C)CCCC[NH2+]2)COC(c2ccccc2)(c2ccccc2)O1 ZINC000005736224 560202831 /nfs/dbraw/zinc/20/28/31/560202831.db2.gz LXSFMSNAFNZVIS-RTWAWAEBSA-N 1 0 337.463 4.225 1 0 in-vitro EIAFRO Cc1cccc(C)c1NC(=O)CSC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000053313486 214176389 /nfs/dbraw/zinc/17/63/89/214176389.db2.gz XGKOVLQCDRSZNO-ZWKOTPCHSA-N 1 0 346.540 4.240 1 0 EIAFRO CCCn1ccc2cc(-c3ccc(N(C)C)nc3)cc(Cl)c2c1=O ZINC000066076561 215006527 /nfs/dbraw/zinc/00/65/27/215006527.db2.gz VHRAAXPEOJDMOL-UHFFFAOYSA-N 1 0 341.842 4.193 1 0 EIAFRO O=C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C[NH+]1CCCCC1 ZINC000103267787 219278725 /nfs/dbraw/zinc/27/87/25/219278725.db2.gz HKJUAVMSGYJMQM-NJYVYQBISA-N 1 0 335.447 4.170 1 0 EIAFRO OCc1ccc2c(c1)c1c(n2CCC[NH2+]Cc2ccccc2)CCCC1 ZINC000103298947 219285862 /nfs/dbraw/zinc/28/58/62/219285862.db2.gz AQVGKJIZARPRCJ-UHFFFAOYSA-N 1 0 348.490 4.192 1 0 EIAFRO C[C@H]1CCC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 ZINC000040802570 213388392 /nfs/dbraw/zinc/38/83/92/213388392.db2.gz QQZGEXJGCHWYKS-NZYDNVMFSA-N 1 0 325.496 4.497 1 0 EIAFRO Clc1cccc(C[C@H](c2ccccc2)N2CC[NH2+]CC2)c1Cl ZINC000036093253 213063673 /nfs/dbraw/zinc/06/36/73/213063673.db2.gz NXRPSLBPUSCIJD-QGZVFWFLSA-N 1 0 335.278 4.182 1 0 EIAFRO COc1cc2c(ccn2-c2cc[nH+]c3ccccc32)c(OC)c1OC ZINC000072114163 216011099 /nfs/dbraw/zinc/01/10/99/216011099.db2.gz CRFKOOYXHBOTKE-UHFFFAOYSA-N 1 0 334.375 4.205 1 0 EIAFRO COc1cc2oc(=O)cc(C[NH+]3CCCCCCC3)c2cc1Cl ZINC000072138210 216026353 /nfs/dbraw/zinc/02/63/53/216026353.db2.gz VZTLMDQSSVKMII-UHFFFAOYSA-N 1 0 335.831 4.221 3 0 EIAFRO COc1ccc(CC[C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1OC ZINC000026664080 212529365 /nfs/dbraw/zinc/52/93/65/212529365.db2.gz FHRNGQMVYPESAX-SFHVURJKSA-N 1 0 336.435 4.005 1 0 EIAFRO c1ccc(C[C@H]2CNCC[N@H+]2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000022929246 212336159 /nfs/dbraw/zinc/33/61/59/212336159.db2.gz HWAVRYVDKATCPW-FKYPEVOHSA-N 1 0 338.539 4.109 3 0 EIAFRO c1ccc2c(c1)[nH]c1c2CCN2[C@@H]1[C@H]1CCCC[N@H+]1[C@H]2c1cccnc1 ZINC000019328155 212016884 /nfs/dbraw/zinc/01/68/84/212016884.db2.gz UNYHVNRWJOVJSI-CEMLEFRQSA-N 1 0 344.462 4.029 1 0 EIAFRO Cc1ccccc1C(=O)N[C@H](CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000013684618 211609106 /nfs/dbraw/zinc/60/91/06/211609106.db2.gz ZYMPNERYDYGRNN-GOSISDBHSA-N 1 0 330.859 4.071 1 0 EIAFRO Cc1ccc(OCc2cccc(COc3ccc(C)cc3)[n+]2C)cc1 ZINC000095581802 218440555 /nfs/dbraw/zinc/44/05/55/218440555.db2.gz KNRZHDKUBIFDFE-UHFFFAOYSA-N 1 0 334.439 4.286 1 0 EIAFRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H]1CC[NH2+]1 ZINC000118933933 221205158 /nfs/dbraw/zinc/20/51/58/221205158.db2.gz KDUCRLNKTPIPLA-SXTXPXAPSA-N 1 0 329.528 4.288 1 0 EIAFRO COc1ccc2c(c1)C=C(CC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000013760540 135703103 /nfs/dbraw/zinc/70/31/03/135703103.db2.gz HMRKDGYERNRWGG-UHFFFAOYSA-N 1 0 348.490 4.237 1 0 EIAFRO FC(F)(F)c1cccc(N2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1 ZINC000000278356 563271550 /nfs/dbraw/zinc/27/15/50/563271550.db2.gz FIAOAIAXJRLEKI-ARFHVFGLSA-N 1 0 336.401 4.040 1 0 EIAFRO CCc1cc2c(s1)Nc1ccc(Cl)cc1N=C2N1CC[NH2+]CC1 ZINC000101109545 219116464 /nfs/dbraw/zinc/11/64/64/219116464.db2.gz RESZQIPUAOYLIQ-UHFFFAOYSA-N 1 0 346.887 4.004 1 0 EIAFRO C[NH+]1CCC(NC(=O)N2c3ccccc3C=Cc3ccccc32)CC1 ZINC000103231479 219272478 /nfs/dbraw/zinc/27/24/78/219272478.db2.gz CLVBHUYAUFDZLP-UHFFFAOYSA-N 1 0 333.435 4.112 1 0 EIAFRO Cc1ccn2c(c1)nc(-c1ccccc1Br)c2C[NH+](C)C ZINC000103214683 219271695 /nfs/dbraw/zinc/27/16/95/219271695.db2.gz PATVUXRMLYUUHP-UHFFFAOYSA-N 1 0 344.256 4.134 1 0 EIAFRO Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCC[NH3+])c2c1 ZINC000040878873 213397755 /nfs/dbraw/zinc/39/77/55/213397755.db2.gz HVSGNYDJYBCMBH-WEVVVXLNSA-N 1 0 338.842 4.133 1 0 EIAFRO c1ccn([C@@H]2c3ccccc3O[C@]23CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000040723599 213376637 /nfs/dbraw/zinc/37/66/37/213376637.db2.gz OKRJBGPCTCAZPM-YADHBBJMSA-N 1 0 330.431 4.115 1 0 EIAFRO C[C@H]1CC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1 ZINC000040700972 213370749 /nfs/dbraw/zinc/37/07/49/213370749.db2.gz LTWIOIIEIHAYGU-RWXMBLCBSA-N 1 0 325.496 4.497 1 0 EIAFRO COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)[NH2+]C1 ZINC000038608167 213217471 /nfs/dbraw/zinc/21/74/71/213217471.db2.gz BLYHUYRAYMAUST-BVYCBKJFSA-N 1 0 336.479 4.026 1 0 EIAFRO NC(=O)c1c[nH+]c(NC2CCCCCC2)c2c3cc(F)ccc3[nH]c21 ZINC000072123252 216014557 /nfs/dbraw/zinc/01/45/57/216014557.db2.gz ARZNBXLYUCJLRP-UHFFFAOYSA-N 1 0 340.402 4.089 1 0 EIAFRO Cc1ccc(C2CC[NH+](CC[C@@H]3NC(=O)c4ccccc43)CC2)cc1C ZINC000029308214 212661170 /nfs/dbraw/zinc/66/11/70/212661170.db2.gz OBHCEADEAPCRBN-QFIPXVFZSA-N 1 0 348.490 4.358 1 0 EIAFRO c1ccc(C([NH2+]C[C@H]2CCO2)(c2ccccc2)c2ccccc2)cc1 ZINC000073351326 216379926 /nfs/dbraw/zinc/37/99/26/216379926.db2.gz BUTSHKRIRGZUNO-JOCHJYFZSA-N 1 0 329.443 4.357 1 0 EIAFRO [NH3+]C1(c2ccc(-c3ncc4nccn4c3-c3ccccc3)cc2)CCC1 ZINC000084709017 217634013 /nfs/dbraw/zinc/63/40/13/217634013.db2.gz YNWTXEUYEFVUCD-UHFFFAOYSA-N 1 0 340.430 4.401 1 0 EIAFRO CC[NH+](CC)CCCN1C(=O)Nc2ccccc2[C@@H]1c1ccccc1 ZINC000013553565 211577170 /nfs/dbraw/zinc/57/71/70/211577170.db2.gz TZIOFZONKQVFAH-FQEVSTJZSA-N 1 0 337.467 4.355 1 0 EIAFRO CCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811644 210720208 /nfs/dbraw/zinc/72/02/08/210720208.db2.gz JGCLOCKWTQIIHT-YADHBBJMSA-N 1 0 339.479 4.172 1 0 EIAFRO Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2C[C@H](C)[NH2+][C@@H](C)C2)sn1 ZINC000169302117 226238833 /nfs/dbraw/zinc/23/88/33/226238833.db2.gz KXKZCELYSNODQC-TWOQFEAHSA-N 1 0 343.540 4.347 1 0 EIAFRO Cc1cccc(OCCCn2c3ccc(F)cc3c3c2CC[NH2+]C3)c1 ZINC000169350521 226549504 /nfs/dbraw/zinc/54/95/04/226549504.db2.gz ITZGZQBWMOLAMG-UHFFFAOYSA-N 1 0 338.426 4.204 1 0 EIAFRO CC(C)[C@H]1CC[C@@H]([NH+]2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 ZINC000101007438 219113716 /nfs/dbraw/zinc/11/37/16/219113716.db2.gz KZQZXGOXGSLNTB-UAPYVXQJSA-N 1 0 340.511 4.255 1 0 EIAFRO Oc1ccc2c(c1)CC[N@H+]([C@H]1CC[C@@H](c3ccccc3)CC1)C[C@H]2O ZINC000101376769 219124808 /nfs/dbraw/zinc/12/48/08/219124808.db2.gz GUYOIYKANZNIKE-SFGWALBWSA-N 1 0 337.463 4.010 1 0 EIAFRO Fc1cccc(Cl)c1Oc1cccc(F)c1O[C@H]1CC[NH2+]C1 ZINC000066112229 215013870 /nfs/dbraw/zinc/01/38/70/215013870.db2.gz PDVOMSJUMYNNBT-JTQLQIEISA-N 1 0 325.742 4.151 1 0 EIAFRO CC[N@@H+]1CC[C@H]2[C@H](c3ccc(C(=O)OC)cc3)c3cc(C)ccc3[C@H]2C1 ZINC000003806285 210075112 /nfs/dbraw/zinc/07/51/12/210075112.db2.gz HEWCDJZILMXLDV-FCEUIQTBSA-N 1 0 349.474 4.353 1 0 EIAFRO c1ccn([C@@H]2c3ccccc3O[C@@]23CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000040723597 213376589 /nfs/dbraw/zinc/37/65/89/213376589.db2.gz OKRJBGPCTCAZPM-FGZHOGPDSA-N 1 0 330.431 4.115 1 0 EIAFRO CCOC1(OCC)[C@@H]2c3cccc[n+]3[C@@H](c3cccc(C)c32)C1(C)C ZINC000027517560 212559521 /nfs/dbraw/zinc/55/95/21/212559521.db2.gz DNFVMODMZCENJC-UXHICEINSA-N 1 0 338.471 4.126 1 0 EIAFRO CC[NH+](CC)CCNc1ccc2c(c1)-c1nccc3cccc(c31)C2=O ZINC000073336877 216379648 /nfs/dbraw/zinc/37/96/48/216379648.db2.gz LMQYQUSRKVTVDW-UHFFFAOYSA-N 1 0 345.446 4.200 1 0 EIAFRO Oc1ccc([C@H]2C[N@H+](Cc3ccccc3)Cc3cc(O)ccc32)cc1 ZINC000012353824 211353726 /nfs/dbraw/zinc/35/37/26/211353726.db2.gz XAKRCNHCOCHVRY-JOCHJYFZSA-N 1 0 331.415 4.246 1 0 EIAFRO OCC1(Cc2ccc(Cl)cc2)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000011753639 211243485 /nfs/dbraw/zinc/24/34/85/211243485.db2.gz QWDRQQHIYVUONN-GOSISDBHSA-N 1 0 333.903 4.313 3 0 EIAFRO COc1cccc2c1CCC(CC[NH+]1CCN(c3ccccc3)CC1)=C2 ZINC000013760538 536934797 /nfs/dbraw/zinc/93/47/97/536934797.db2.gz CQXXOUAHPSOSEL-UHFFFAOYSA-N 1 0 348.490 4.237 1 0 EIAFRO C[N@@H+]1C[C@@H](CSc2ccccn2)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000004632459 210235272 /nfs/dbraw/zinc/23/52/72/210235272.db2.gz VCRAKEDGLIINLR-IFXJQAMLSA-N 1 0 347.487 4.225 1 0 EIAFRO C[C@H]1CC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]3C1 ZINC000058660613 214600418 /nfs/dbraw/zinc/60/04/18/214600418.db2.gz LTWIOIIEIHAYGU-RGXPITOMSA-N 1 0 325.496 4.497 1 0 EIAFRO C[NH+](C)CCCN1c2cccnc2Sc2cnc3ccccc3c21 ZINC000098082840 219081331 /nfs/dbraw/zinc/08/13/31/219081331.db2.gz DTRJJUHICNSIKK-UHFFFAOYSA-N 1 0 336.464 4.184 1 0 EIAFRO c1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)nc2Nc1cc[nH+]cc1 ZINC000004258512 210153857 /nfs/dbraw/zinc/15/38/57/210153857.db2.gz IGCGUEWRPBJQQD-UHFFFAOYSA-N 1 0 342.358 4.164 1 0 EIAFRO Cc1ccc2cc(-c3n[nH]c4ccc(N[C@H](C)C[NH+](C)C)cc43)[nH]c2c1 ZINC000066074117 215006245 /nfs/dbraw/zinc/00/62/45/215006245.db2.gz OZUVLXJPLOJMED-CQSZACIVSA-N 1 0 347.466 4.382 1 0 EIAFRO CCCCCCNC(=O)Oc1ccc2c(c1)[C@H]1CC[N@H+](CCC)[C@H]1C2 ZINC000003804234 210075352 /nfs/dbraw/zinc/07/53/52/210075352.db2.gz LKLDMKAWSUSARS-QUCCMNQESA-N 1 0 344.499 4.479 1 0 EIAFRO CCC(=O)C[C@@H]1c2ccccc2[NH+]=C(n2ccnc2)N1c1ccccc1 ZINC000103176601 219266116 /nfs/dbraw/zinc/26/61/16/219266116.db2.gz ODOXNMSBDNNFMF-HXUWFJFHSA-N 1 0 344.418 4.349 1 0 EIAFRO Cc1cccc([C@H]2C[C@H]3CC[C@H](CCc4ccccc4)N3C(=[NH2+])N2)c1 ZINC000103262068 219277631 /nfs/dbraw/zinc/27/76/31/219277631.db2.gz YKHQFUZESLZGNC-PWRODBHTSA-N 1 0 333.479 4.430 1 0 EIAFRO C[NH+](C)CC[C@]1(O)c2ccccc2CCc2ccc3ccccc3c21 ZINC000036151760 213073123 /nfs/dbraw/zinc/07/31/23/213073123.db2.gz IUXDSDVOBHKNSE-QHCPKHFHSA-N 1 0 331.459 4.126 1 0 in-vivo EIAFRO COc1ccc(CO[C@@H]2C[NH2+]CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000029206086 212656789 /nfs/dbraw/zinc/65/67/89/212656789.db2.gz BIPGSFPDFZLUIK-RTBURBONSA-N 1 0 331.843 4.011 1 0 EIAFRO C[NH+]1CCN([C@H]2C[C@H](c3ccccc3)c3ccc(Cl)cc32)CC1 ZINC000022937765 212338162 /nfs/dbraw/zinc/33/81/62/212338162.db2.gz OUTQVQKOJHLKNN-QUCCMNQESA-N 1 0 326.871 4.164 1 0 EIAFRO CN1CC[N@@H+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)CC1(C)C ZINC000022579019 212308058 /nfs/dbraw/zinc/30/80/58/212308058.db2.gz XUGAKTCCCDRKAF-LEWJYISDSA-N 1 0 338.470 4.428 1 0 EIAFRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C[C@@H]1C[NH2+]1 ZINC000013835175 211649139 /nfs/dbraw/zinc/64/91/39/211649139.db2.gz KRFWHRJXDKUGAA-RGAKOWQFSA-N 1 0 329.528 4.288 1 0 EIAFRO Clc1ccc([C@@]23C[C@]2(COCC2CC2)C[NH2+]CC3)cc1Cl ZINC000053243562 214173137 /nfs/dbraw/zinc/17/31/37/214173137.db2.gz ZPPOFTVMEMXBDU-IAGOWNOFSA-N 1 0 326.267 4.041 1 0 EIAFRO CC1=CC2=[NH+]C[C@H](C(=O)c3ccc(-c4ccc(O)cc4)cc3)CN2C=C1 ZINC000049803381 214032584 /nfs/dbraw/zinc/03/25/84/214032584.db2.gz DTZMDSGZIVZADA-IBGZPJMESA-N 1 0 344.414 4.046 1 0 EIAFRO C[NH+]1CCC(CNC(=O)c2ccccc2-c2cccc(Cl)c2)CC1 ZINC000049036269 213978914 /nfs/dbraw/zinc/97/89/14/213978914.db2.gz PICKXKILPZYWHV-UHFFFAOYSA-N 1 0 342.870 4.079 1 0 EIAFRO Oc1ccc2c(c1)CC[N@H+]([C@H]1CC[C@H](c3ccccc3)CC1)C[C@@H]2O ZINC000101376901 219125341 /nfs/dbraw/zinc/12/53/41/219125341.db2.gz GUYOIYKANZNIKE-KPLVRAHFSA-N 1 0 337.463 4.010 1 0 EIAFRO C[C@@H]1C[C@@H]2[C@H](C1)[C@@]2(c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000101511244 219129735 /nfs/dbraw/zinc/12/97/35/219129735.db2.gz GSIAQBZHBGRNHL-DMLMQYFOSA-N 1 0 332.491 4.380 1 0 EIAFRO CC(C)C[N@@H+]1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000003955693 210095410 /nfs/dbraw/zinc/09/54/10/210095410.db2.gz WTTQFMYUEOFLPL-UHFFFAOYSA-N 1 0 330.472 4.019 1 0 EIAFRO Clc1ccccc1-c1nc(CN2CCC[C@H]2C[NH+]2CCCC2)co1 ZINC000066536159 215052661 /nfs/dbraw/zinc/05/26/61/215052661.db2.gz CGSIUMBQVZJJIO-INIZCTEOSA-N 1 0 345.874 4.055 1 0 EIAFRO CO[C@H]1Cc2sccc2C2(CC[NH+](CC3CCCCC3)CC2)O1 ZINC000040957644 213404455 /nfs/dbraw/zinc/40/44/55/213404455.db2.gz MIDVFMBEYNBGIQ-GOSISDBHSA-N 1 0 335.513 4.165 1 0 EIAFRO C[NH+](C)CC[C@@]1(O)c2ccccc2CCc2ccc3ccccc3c21 ZINC000036151765 213073365 /nfs/dbraw/zinc/07/33/65/213073365.db2.gz IUXDSDVOBHKNSE-HSZRJFAPSA-N 1 0 331.459 4.126 1 0 in-vivo EIAFRO Cc1ncc(-c2cc3ccccc3nc2SCC[NH+](C)C)s1 ZINC000026378612 212517067 /nfs/dbraw/zinc/51/70/67/212517067.db2.gz YYILPQQJHOMIDD-UHFFFAOYSA-N 1 0 329.494 4.320 1 0 EIAFRO C[NH+]1CCN([C@@H]2C[C@H](c3ccccc3)c3ccc(Cl)cc32)CC1 ZINC000022937762 212338490 /nfs/dbraw/zinc/33/84/90/212338490.db2.gz OUTQVQKOJHLKNN-UYAOXDASSA-N 1 0 326.871 4.164 1 0 EIAFRO c1ccc2c(c1)CN(CC[N@H+]1[C@@H]3CC[C@H]1Cc1[nH]c4ccccc4c13)C2 ZINC000022778554 212323931 /nfs/dbraw/zinc/32/39/31/212323931.db2.gz CTQHCPZZSHQSPL-PGRDOPGGSA-N 1 0 343.474 4.245 1 0 EIAFRO COc1cccc(CNc2c3ccccc3[nH+]c3c2[C@H](O)CCC3)c1 ZINC000014946502 211774311 /nfs/dbraw/zinc/77/43/11/211774311.db2.gz DKUJACOBAKIJQF-LJQANCHMSA-N 1 0 334.419 4.225 1 0 EIAFRO Cc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)s1 ZINC000012202922 211320265 /nfs/dbraw/zinc/32/02/65/211320265.db2.gz FKESSBRNPVWFLH-FQEVSTJZSA-N 1 0 329.509 4.182 3 0 EIAFRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C[C@@H]1C[NH2+]1 ZINC000118933926 221204869 /nfs/dbraw/zinc/20/48/69/221204869.db2.gz KRFWHRJXDKUGAA-WKXNZHCISA-N 1 0 329.528 4.288 1 0 EIAFRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000169301315 226238488 /nfs/dbraw/zinc/23/84/88/226238488.db2.gz PASGDOWIXPAUQU-DBXWQHBBSA-N 1 0 339.479 4.026 1 0 EIAFRO O=C(c1cccc(Cl)c1Cl)N(c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000049110311 213988313 /nfs/dbraw/zinc/98/83/13/213988313.db2.gz IAPNVLHDPZOUSQ-ZDUSSCGKSA-N 1 0 335.234 4.002 1 0 EIAFRO C[C@@H]1C[C@@H]2[C@H](C1)[C@@]2(c1ccc(O)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000101511254 219129610 /nfs/dbraw/zinc/12/96/10/219129610.db2.gz UUWNSUXDHRSBHP-WKJJFCIUSA-N 1 0 348.490 4.086 1 0 EIAFRO CC[NH+]1CCN(C2=Nc3ccccc3CC=C2c2ccc(C)cc2)CC1 ZINC000101803796 219165502 /nfs/dbraw/zinc/16/55/02/219165502.db2.gz XEBMWQZLVCEBOE-UHFFFAOYSA-N 1 0 345.490 4.302 1 0 EIAFRO NC(=[NH2+])N1[C@@H](CCc2ccccc2)CC[C@@H]1Sc1ccccc1 ZINC000103262151 219277666 /nfs/dbraw/zinc/27/76/66/219277666.db2.gz LLMUOICAETXIKH-WMZOPIPTSA-N 1 0 325.481 4.095 1 0 EIAFRO CCCn1c(C[NH3+])c(-c2ccccc2)c2cc(Cl)ccc2c1=O ZINC000072106824 216009174 /nfs/dbraw/zinc/00/91/74/216009174.db2.gz HYTRUJPRWGLOBZ-UHFFFAOYSA-N 1 0 326.827 4.191 1 0 EIAFRO CSc1nn(-c2cccc(C)c2)c2cc(C3=CC[NH2+]CC3)ccc21 ZINC000072178275 216066449 /nfs/dbraw/zinc/06/64/49/216066449.db2.gz NOQBAUMSUUEQPE-UHFFFAOYSA-N 1 0 335.476 4.433 1 0 EIAFRO C[C@H]1[C@@H]2C[C@H](C[C@H]1[NH2+]Cc1coc(-c3ccc(O)cc3)n1)C2(C)C ZINC000072184799 216067005 /nfs/dbraw/zinc/06/70/05/216067005.db2.gz XTODPSLMGDNQAE-BAGBSZHRSA-N 1 0 326.440 4.208 1 0 EIAFRO CC[C@@H]([NH3+])COc1nc(-c2cccs2)c(C)c(-c2cccs2)n1 ZINC000028525323 212622341 /nfs/dbraw/zinc/62/23/41/212622341.db2.gz VGESWILZEXYMSX-GFCCVEGCSA-N 1 0 345.493 4.358 1 0 EIAFRO O[C@@H](c1cc(C(F)(F)F)nc2c(Cl)cccc12)[C@@H]1CCCC[NH2+]1 ZINC000027524209 212560703 /nfs/dbraw/zinc/56/07/03/212560703.db2.gz OAKOEIPZSOOLIY-WFASDCNBSA-N 1 0 344.764 4.083 1 0 EIAFRO CC1(C)CC[N@H+](CCOC(=O)[C@@H](c2ccccc2)[C@@H]2C=CCCC2)C1 ZINC000255972838 244054397 /nfs/dbraw/zinc/05/43/97/244054397.db2.gz FVTFMKWTHZZTJA-UXHICEINSA-N 1 0 341.495 4.402 1 0 EIAFRO CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H]1c1ccc(C)s1 ZINC000019217337 212006093 /nfs/dbraw/zinc/00/60/93/212006093.db2.gz YHVVUGXKCAASTH-IEBWSBKVSA-N 1 0 346.471 4.037 1 0 EIAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1csc2c1CC[C@H](C)C2 ZINC000009833698 211127400 /nfs/dbraw/zinc/12/74/00/211127400.db2.gz SSDAVWGNVXMOGB-HRCADAONSA-N 1 0 348.556 4.256 1 0 EIAFRO C[C@@]1([C@]2(C)CCCC[NH2+]2)COC(c2ccccc2)(c2ccccc2)O1 ZINC000014952396 560227707 /nfs/dbraw/zinc/22/77/07/560227707.db2.gz LXSFMSNAFNZVIS-SFTDATJTSA-N 1 0 337.463 4.225 1 0 in-vitro EIAFRO Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc[nH+]cc2)s1 ZINC000014952143 581092910 /nfs/dbraw/zinc/09/29/10/581092910.db2.gz ARPNQDUWOKVMLY-UHFFFAOYSA-N 1 0 344.827 4.496 1 0 EIAFRO COc1ccc([C@H](O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC000100834340 219108767 /nfs/dbraw/zinc/10/87/67/219108767.db2.gz AFWLTZMAQCSANY-XMGTWHOFSA-N 1 0 337.463 4.426 1 0 EIAFRO CC(C)[C@H]1CC[C@H]([NH+]2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 ZINC000100857531 219109372 /nfs/dbraw/zinc/10/93/72/219109372.db2.gz KZQZXGOXGSLNTB-IZAXUBKRSA-N 1 0 340.511 4.255 1 0 EIAFRO C[C@H]1CCC[C@H](C)[NH+]1CCC[C@@](O)(c1ccccc1)c1ccccn1 ZINC000003873866 210081928 /nfs/dbraw/zinc/08/19/28/210081928.db2.gz APUDBKTWDCXQJA-CNNODRBYSA-N 1 0 338.495 4.361 1 0 in-man EIAFRO Fc1ccc(C(CCC[NH+]2CCOCC2)c2ccc(F)cc2)cc1 ZINC000066251912 215026120 /nfs/dbraw/zinc/02/61/20/215026120.db2.gz FMNPBGLVZVBAED-UHFFFAOYSA-N 1 0 331.406 4.209 1 0 EIAFRO COc1cccc([C@H]2C[C@H]3CC[C@H](CCc4ccccc4)N3C(=[NH2+])N2)c1 ZINC000103262094 219277983 /nfs/dbraw/zinc/27/79/83/219277983.db2.gz MKYRDBZZEGJZRI-QKNQBKEWSA-N 1 0 349.478 4.130 1 0 EIAFRO C[C@@H]1[C@H]2CC[C@H](CCc3ccccc3)N2C(=[NH2+])N[C@H]1c1ccccc1 ZINC000103262054 219278304 /nfs/dbraw/zinc/27/83/04/219278304.db2.gz AZAKMDHACKUFCY-UMSONDCASA-N 1 0 333.479 4.368 1 0 EIAFRO Cc1ccnc(Nc2nc3ccc(C(=[NH2+])NC(C)C)cc3s2)c1 ZINC000040898521 213398483 /nfs/dbraw/zinc/39/84/83/213398483.db2.gz WXZMFJMVXRCJPU-UHFFFAOYSA-N 1 0 325.441 4.067 1 0 EIAFRO Cc1[nH+]c2c(NCc3c(C)cccc3C)cc(-n3cccn3)cn2c1C ZINC000040379094 213293278 /nfs/dbraw/zinc/29/32/78/213293278.db2.gz NVTYARUVRYHLSU-UHFFFAOYSA-N 1 0 345.450 4.366 1 0 EIAFRO COc1ccc(CN2CC[n+]3c2c2ccccc2c2ccccc23)cc1 ZINC000038153010 213203719 /nfs/dbraw/zinc/20/37/19/213203719.db2.gz UNBAAJSABNDCMT-UHFFFAOYSA-N 1 0 341.434 4.155 1 0 EIAFRO CC[NH2+][C@@H]1CCC[C@@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237410 212609115 /nfs/dbraw/zinc/60/91/15/212609115.db2.gz GKDCVGNKESHKGU-CABCVRRESA-N 1 0 329.271 4.267 1 0 EIAFRO CCOC(=O)C1(Cc2ccccc2)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000012050132 211282999 /nfs/dbraw/zinc/28/29/99/211282999.db2.gz VMKAWVINMIKTDU-HXUWFJFHSA-N 1 0 341.495 4.231 3 0 EIAFRO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004886614 210311160 /nfs/dbraw/zinc/31/11/60/210311160.db2.gz PYRRMLCJNCDCHF-ZXFUBFMLSA-N 1 0 349.931 4.174 3 0 EIAFRO CCc1cc2c(s1)Nc1ccccc1N=C2N1CC[NH+](CC)CC1 ZINC000053092925 214163825 /nfs/dbraw/zinc/16/38/25/214163825.db2.gz BRQATYXTWJXGBJ-UHFFFAOYSA-N 1 0 340.496 4.083 1 0 EIAFRO NNc1[nH+]cnc2c1cc(-c1ccc(Cl)cc1)n2-c1ccccc1 ZINC000064436262 214784884 /nfs/dbraw/zinc/78/48/84/214784884.db2.gz NPNJBJYZQRSAAD-UHFFFAOYSA-N 1 0 335.798 4.027 1 0 EIAFRO C[C@H](NC(=O)c1ccccc1-c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000049034454 213979653 /nfs/dbraw/zinc/97/96/53/213979653.db2.gz OMSWDVKFMOIECZ-AWEZNQCLSA-N 1 0 342.870 4.125 1 0 EIAFRO Cc1cccc(CNc2ncncc2-c2ccccc2C[NH+](C)C)c1 ZINC000004265243 210155484 /nfs/dbraw/zinc/15/54/84/210155484.db2.gz MJUDQDHXCQONOA-UHFFFAOYSA-N 1 0 332.451 4.126 1 0 EIAFRO C[NH+](C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccc(Cl)cc3N2O1 ZINC000003965842 210095784 /nfs/dbraw/zinc/09/57/84/210095784.db2.gz JTLCTTWVUAIQHD-QFBILLFUSA-N 1 0 328.843 4.057 1 0 EIAFRO CCC(=O)C[C@H]1c2ccccc2[NH+]=C(n2ccnc2)N1c1ccccc1 ZINC000103176603 219265931 /nfs/dbraw/zinc/26/59/31/219265931.db2.gz ODOXNMSBDNNFMF-FQEVSTJZSA-N 1 0 344.418 4.349 1 0 EIAFRO CC(C)C[C@@H]1CN2C(=[NH+]C[C@@H]2C)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000040414399 213300258 /nfs/dbraw/zinc/30/02/58/213300258.db2.gz IEDBGXYQMFIKHK-YWOLTOGESA-N 1 0 343.559 4.383 1 0 EIAFRO C[N@H+](Cc1ccccc1)[C@@H]1CCc2[nH]c3c(cc(F)cc3F)c2C1 ZINC000039214093 213231579 /nfs/dbraw/zinc/23/15/79/213231579.db2.gz PZCMACIGIKNXMB-OAHLLOKOSA-N 1 0 326.390 4.435 1 0 EIAFRO CCCCn1c2ccccc2c2ccnc(CNCCC[NH+](C)C)c21 ZINC000072118543 216012528 /nfs/dbraw/zinc/01/25/28/216012528.db2.gz JXRKIFYUDWZEFH-UHFFFAOYSA-N 1 0 338.499 4.031 1 0 EIAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccccc2C)[N@@H+]3C)cc1 ZINC000036177303 213074190 /nfs/dbraw/zinc/07/41/90/213074190.db2.gz SUEIJSZDTKIXCI-XWSHUIEDSA-N 1 0 349.474 4.475 1 0 EIAFRO CC[C@]1(O)CC[N@@H+]2C[C@@H](c3ccc(Cl)cc3Cl)CC[C@@H]2C1 ZINC000029463589 212668155 /nfs/dbraw/zinc/66/81/55/212668155.db2.gz KDJMOSOAOJQOSO-QEORTHHSSA-N 1 0 328.283 4.476 1 0 EIAFRO Nc1c2c([nH+]c3cc(Br)ccc13)N(C1CCCCC1)CC2 ZINC000029213960 212657429 /nfs/dbraw/zinc/65/74/29/212657429.db2.gz GBMCAAQLZNVPEP-UHFFFAOYSA-N 1 0 346.272 4.275 1 0 EIAFRO O=C1N[C@@H]2CCCC[C@H]2N1C1CC[NH+](CC2CCCCCCC2)CC1 ZINC000028764437 212635509 /nfs/dbraw/zinc/63/55/09/212635509.db2.gz VSHAXDNWFQCNEL-WOJBJXKFSA-N 1 0 347.547 4.148 1 0 EIAFRO Cc1cc(C)c2nc(C(F)(F)F)cc([C@@H](O)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000027523962 212560722 /nfs/dbraw/zinc/56/07/22/212560722.db2.gz HATYYHRAZIDOHD-WMLDXEAASA-N 1 0 338.373 4.046 1 0 EIAFRO Cc1ccc2c(c1)[C@@H](N1CC[NH2+]C(C)(C)C1)C[C@@H]2c1ccc(F)cc1 ZINC000022938055 212338088 /nfs/dbraw/zinc/33/80/88/212338088.db2.gz YGBDHZJMOPGGDK-CTNGQTDRSA-N 1 0 338.470 4.395 1 0 EIAFRO OCC1(Cc2ccc(Cl)cc2)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000011753638 211242647 /nfs/dbraw/zinc/24/26/47/211242647.db2.gz QWDRQQHIYVUONN-SFHVURJKSA-N 1 0 333.903 4.313 3 0 EIAFRO Cc1ccc2c(cccc2N2CC[NH+](CCc3ccc(F)cc3)CC2)n1 ZINC000053243986 132186628 /nfs/dbraw/zinc/18/66/28/132186628.db2.gz UMEGGDIDNHMEOC-UHFFFAOYSA-N 1 0 349.453 4.047 1 0 EIAFRO CC[NH+](CC)CCCCN1c2ccccc2O[C@@H]2C=CC(Cl)=C[C@@H]21 ZINC000040865340 132407816 /nfs/dbraw/zinc/40/78/16/132407816.db2.gz AYSVOHVYHXXWHC-AZUAARDMSA-N 1 0 346.902 4.437 1 0 EIAFRO CC[C@H](C)Cc1ccnc2c(N[C@H](C)CCC[NH3+])cc(OC)cc12 ZINC000169329214 529684524 /nfs/dbraw/zinc/68/45/24/529684524.db2.gz DYMOIGOWICYZTC-LSDHHAIUSA-N 1 0 329.488 4.371 1 0 EIAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000101060936 219115009 /nfs/dbraw/zinc/11/50/09/219115009.db2.gz QVIXLSYROOSFHA-OWZKRDHZSA-N 1 0 342.433 4.269 1 0 EIAFRO Clc1ccccc1-c1nc2ccccc2c(NC2CC[NH2+]CC2)n1 ZINC000004239269 210149460 /nfs/dbraw/zinc/14/94/60/210149460.db2.gz KWZVULZZHSDNMN-UHFFFAOYSA-N 1 0 338.842 4.114 1 0 EIAFRO COc1ccccc1Nc1cc2[nH]c(-c3cnn(C)c3C)cc2c[nH+]1 ZINC000103250551 219275126 /nfs/dbraw/zinc/27/51/26/219275126.db2.gz XTEITABXQWKBCO-UHFFFAOYSA-N 1 0 333.395 4.024 1 0 EIAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2cccc(C)c2)[N@@H+]3C)cc1 ZINC000036271120 213080671 /nfs/dbraw/zinc/08/06/71/213080671.db2.gz YWDPQXQHYYMNDR-PSWRPDDJSA-N 1 0 349.474 4.475 1 0 EIAFRO Clc1ccc(C[C@H](c2ccccc2)N2CC[NH2+]CC2)c(Cl)c1 ZINC000036093335 213062542 /nfs/dbraw/zinc/06/25/42/213062542.db2.gz FABMPYBEKUUBIW-GOSISDBHSA-N 1 0 335.278 4.182 1 0 EIAFRO [NH3+][C@@H]1CCc2c(-c3ccccc3)ccc(-c3ccccc3)c2CC1=O ZINC000072106334 216009734 /nfs/dbraw/zinc/00/97/34/216009734.db2.gz GIALIWVNJLPIKP-JOCHJYFZSA-N 1 0 327.427 4.406 1 0 EIAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1cccc3oc4ccccc4c31)C2 ZINC000026937103 212541789 /nfs/dbraw/zinc/54/17/89/212541789.db2.gz MBRGBUNUYUWPGA-YIONKMFJSA-N 1 0 335.403 4.368 1 0 EIAFRO CSCCOc1ccc2c(c1)CCC1(CC[NH+](C3CCC3)CC1)O2 ZINC000073223285 216367143 /nfs/dbraw/zinc/36/71/43/216367143.db2.gz HJQQVXFJMGDFGZ-UHFFFAOYSA-N 1 0 347.524 4.141 1 0 EIAFRO Cc1ccc2c(c1)[C@@H](N1CC[NH2+]C(C)(C)C1)C[C@H]2c1ccc(F)cc1 ZINC000022938058 212338185 /nfs/dbraw/zinc/33/81/85/212338185.db2.gz YGBDHZJMOPGGDK-FPOVZHCZSA-N 1 0 338.470 4.395 1 0 EIAFRO Clc1ccc(CCN2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC000022935739 212337668 /nfs/dbraw/zinc/33/76/68/212337668.db2.gz KLIHGCYEZYMBSX-OAHLLOKOSA-N 1 0 327.299 4.096 1 0 EIAFRO C[NH+](C)C[C@@H]1C[C@H]2c3cccc(Cl)c3Cc3ccccc3N2O1 ZINC000013437253 211557032 /nfs/dbraw/zinc/55/70/32/211557032.db2.gz YDCWINJIBUMKOY-LIRRHRJNSA-N 1 0 328.843 4.057 1 0 EIAFRO C[C@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@@H](CCO)c1ccccc12 ZINC000066258314 215027989 /nfs/dbraw/zinc/02/79/89/215027989.db2.gz IXURNWHCTYEQAY-UTKZUKDTSA-N 1 0 337.463 4.193 1 0 EIAFRO C[C@@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@@H](CCO)c1ccccc12 ZINC000066258313 215028337 /nfs/dbraw/zinc/02/83/37/215028337.db2.gz IXURNWHCTYEQAY-UWJYYQICSA-N 1 0 337.463 4.193 1 0 EIAFRO CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCO)c3[C@@H](C1)C2 ZINC000045320370 213724914 /nfs/dbraw/zinc/72/49/14/213724914.db2.gz DYEVLJICQPJCQW-OLZOCXBDSA-N 1 0 328.843 4.288 1 0 EIAFRO Cc1ccc([C@H]2C[C@H]3CC[C@H](CCc4ccccc4)N3C(=[NH2+])N2)cc1 ZINC000103262078 219278188 /nfs/dbraw/zinc/27/81/88/219278188.db2.gz CMHDEQZRGGCAIY-PWRODBHTSA-N 1 0 333.479 4.430 1 0 EIAFRO C[NH+]1CCC(N2N=C(c3ccccc3)C(Cc3ccccc3)C2=O)CC1 ZINC000103939001 219330920 /nfs/dbraw/zinc/33/09/20/219330920.db2.gz VLAPQJBAECXKRC-UHFFFAOYSA-N 1 0 347.462 4.113 1 0 EIAFRO FC[C@H]1OC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000073169214 216359197 /nfs/dbraw/zinc/35/91/97/216359197.db2.gz IBFFGCSUILIKLO-LJQANCHMSA-N 1 0 329.390 4.358 1 0 EIAFRO CC[NH+](CC)CCCCN1c2ccccc2O[C@H]2C=CC(Cl)=C[C@H]21 ZINC000195341334 240938897 /nfs/dbraw/zinc/93/88/97/240938897.db2.gz AYSVOHVYHXXWHC-QUCCMNQESA-N 1 0 346.902 4.437 1 0 EIAFRO NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)nc2c1 ZINC000012354905 211353829 /nfs/dbraw/zinc/35/38/29/211353829.db2.gz FKTVUGSKIYLIGS-UHFFFAOYSA-N 1 0 344.374 4.012 1 0 EIAFRO c1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H]2CNc3ccccc3O2)CC1 ZINC000053268002 214174359 /nfs/dbraw/zinc/17/43/59/214174359.db2.gz VSXPSCOXEGOPID-QGZVFWFLSA-N 1 0 345.446 4.130 1 0 EIAFRO c1ccc2c(c1)c1c(n2CCOCC[NH+]2CCCCC2)CCCC1 ZINC000001855330 209800267 /nfs/dbraw/zinc/80/02/67/209800267.db2.gz LUHVHGMEYBCDJD-UHFFFAOYSA-N 1 0 326.484 4.023 1 0 EIAFRO C[NH+](C)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 ZINC000036520099 213099739 /nfs/dbraw/zinc/09/97/39/213099739.db2.gz ODVRBPMLOHMDEU-UHFFFAOYSA-N 1 0 343.810 4.087 1 0 EIAFRO Cc1cccc(Cn2c3ccc(C(F)(F)F)cc3nc2[C@H](C)[NH3+])c1 ZINC000072117092 216013037 /nfs/dbraw/zinc/01/30/37/216013037.db2.gz LSBBTTMSPBWQNO-LBPRGKRZSA-N 1 0 333.357 4.432 1 0 EIAFRO C[C@H](NC(=O)CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000073221609 216366406 /nfs/dbraw/zinc/36/64/06/216366406.db2.gz ZCFATTWFYKFQGO-SFHVURJKSA-N 1 0 336.479 4.134 1 0 EIAFRO C[NH+]1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1 ZINC000022937756 212337281 /nfs/dbraw/zinc/33/72/81/212337281.db2.gz OUTQVQKOJHLKNN-AZUAARDMSA-N 1 0 326.871 4.164 1 0 EIAFRO C[C@@H]1C[N@@H+](CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1C ZINC000022930231 212336075 /nfs/dbraw/zinc/33/60/75/212336075.db2.gz QDBZAAWPKCEIBY-HDICACEKSA-N 1 0 335.495 4.209 1 0 EIAFRO COc1cccc2c1CCC[C@H]2CN1CC[NH+](C2CCCCC2)CC1 ZINC000022778600 212323408 /nfs/dbraw/zinc/32/34/08/212323408.db2.gz YHVGSPGZCCLSHP-SFHVURJKSA-N 1 0 342.527 4.065 1 0 EIAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CC(=O)NC(c1ccccc1)c1ccccc1)C2 ZINC000100897412 219110493 /nfs/dbraw/zinc/11/04/93/219110493.db2.gz PWSUMDGDQAYHSM-ZHPFXUNLSA-N 1 0 348.490 4.155 1 0 EIAFRO COc1ccccc1-c1nc2ccccc2c(Nc2cc[nH+]cc2)n1 ZINC000004258446 210154136 /nfs/dbraw/zinc/15/41/36/210154136.db2.gz ICGJWWMYDHGVND-UHFFFAOYSA-N 1 0 328.375 4.444 1 0 EIAFRO OCC[C@@H]1OC2(CC[NH+](CC3CCCCC3)CC2)c2ccccc21 ZINC000066259578 215027925 /nfs/dbraw/zinc/02/79/25/215027925.db2.gz NQSQNZWINPLIAN-FQEVSTJZSA-N 1 0 329.484 4.012 1 0 EIAFRO O=C1Cc2ccccc2N1CCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000040951729 213402962 /nfs/dbraw/zinc/40/29/62/213402962.db2.gz KHDJJPKYJGGNDX-UHFFFAOYSA-N 1 0 348.490 4.236 1 0 EIAFRO CC(C)OC(=O)[C@H]1[C@@H]2CC[C@@H](C[N@@H+]2C)C[C@@H]1c1ccc(Cl)cc1 ZINC000040719086 213374315 /nfs/dbraw/zinc/37/43/15/213374315.db2.gz NRQIOYJXOKSZCR-NKGKWGDASA-N 1 0 335.875 4.106 1 0 EIAFRO CC(C)Cn1c(C[NH3+])c(-c2ccccc2)c2cc(Cl)ccc2c1=O ZINC000072105321 216009594 /nfs/dbraw/zinc/00/95/94/216009594.db2.gz QHJZLAPCYMEMFC-UHFFFAOYSA-N 1 0 340.854 4.437 1 0 EIAFRO C[NH+](C)CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000028653922 212631238 /nfs/dbraw/zinc/63/12/38/212631238.db2.gz PSHJHMPZCYKSJB-CWRQFWGNSA-N 1 0 342.870 4.162 1 0 EIAFRO C[NH+](C)C[C@H](c1ccc(C(F)(F)F)cc1)C1(O)CCCCCC1 ZINC000026733555 212533172 /nfs/dbraw/zinc/53/31/72/212533172.db2.gz DIJHWDLCXYFXRM-MRXNPFEDSA-N 1 0 329.406 4.436 1 0 EIAFRO C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)[C@H](c2ccccc2)C1C(=O)OC ZINC000021981277 212267548 /nfs/dbraw/zinc/26/75/48/212267548.db2.gz YGODTRTXGSNAQE-CQGUWYRNSA-N 1 0 343.423 4.134 1 0 EIAFRO c1ccc2c(c1)CCc1ccccc1C2N1CC([NH2+]C2CCCCC2)C1 ZINC000019368331 212022630 /nfs/dbraw/zinc/02/26/30/212022630.db2.gz CRHLZDAYZHEKGL-UHFFFAOYSA-N 1 0 346.518 4.481 1 0 EIAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[NH2+]CCc1ccccc1)O2 ZINC000013651348 211600013 /nfs/dbraw/zinc/60/00/13/211600013.db2.gz YWBRJQBAZAOYNP-QFIPXVFZSA-N 1 0 339.479 4.233 1 0 EIAFRO CCC[N@H+]1CCC(=O)N([C@H](CSc2ccccc2)CC(C)C)CC1 ZINC000012474526 211390689 /nfs/dbraw/zinc/39/06/89/211390689.db2.gz PYEQUFKIQYLXNI-SFHVURJKSA-N 1 0 348.556 4.138 3 0 EIAFRO Cc1cnc(-c2ccccc2C(C)C)nc1NCC1CC[NH+](C)CC1 ZINC000169304602 534518677 /nfs/dbraw/zinc/51/86/77/534518677.db2.gz SAUJRKOJYBJLSN-UHFFFAOYSA-N 1 0 338.499 4.329 1 0 EIAFRO CCOC(=O)C(C[C@@H]1CCCC[NH2+]1)(c1ccccc1)c1ccccc1 ZINC000004214151 210145107 /nfs/dbraw/zinc/14/51/07/210145107.db2.gz KSIVTSFSGVVBJQ-FQEVSTJZSA-N 1 0 337.463 4.068 1 0 in-man EIAFRO CC[NH+]1CCN(C2=Nc3ccc(C)cc3CC=C2c2ccccc2)CC1 ZINC000101761892 219162677 /nfs/dbraw/zinc/16/26/77/219162677.db2.gz KUIRSDFXZLUTMJ-UHFFFAOYSA-N 1 0 345.490 4.302 1 0 EIAFRO CC[N@@H+]1CCc2cc(OCCCF)cc3c2[C@H]1Cc1cccc(O)c1-3 ZINC000066077823 215006929 /nfs/dbraw/zinc/00/69/29/215006929.db2.gz LODBNYQJHVOXNX-GOSISDBHSA-N 1 0 341.426 4.273 1 0 EIAFRO Clc1ccc([C@@]2(CCOC3CCC3)[C@@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC000101980219 219178240 /nfs/dbraw/zinc/17/82/40/219178240.db2.gz JTZODQOWHKXAGE-HALDLXJZSA-N 1 0 326.267 4.040 1 0 EIAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2sccc2C)C1C(=O)OCC ZINC000102661542 219220268 /nfs/dbraw/zinc/22/02/68/219220268.db2.gz BFRCJFXALGSASK-SUCHYCSPSA-N 1 0 349.452 4.258 1 0 EIAFRO Cc1ncoc1C[C@]12C[C@@]1(c1ccc(Cl)c(Cl)c1)CC[NH2+]C2 ZINC000043207733 213567775 /nfs/dbraw/zinc/56/77/75/213567775.db2.gz GTRIRKWLHVGYGS-IAGOWNOFSA-N 1 0 337.250 4.154 1 0 EIAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CC(O)(c1cccs1)c1cccs1)C2 ZINC000103233185 219273555 /nfs/dbraw/zinc/27/35/55/219273555.db2.gz ZWDDMBUPVUAOHG-QDMKHBRRSA-N 1 0 333.522 4.308 1 0 EIAFRO [NH2+]=C1N[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H](CCc3ccccc3)N12 ZINC000103262074 219277509 /nfs/dbraw/zinc/27/75/09/219277509.db2.gz SFYHILHUWWMZML-XUVXKRRUSA-N 1 0 337.442 4.261 1 0 EIAFRO OCC[N@@H+]1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 ZINC000103301409 219287116 /nfs/dbraw/zinc/28/71/16/219287116.db2.gz WIYPLKCEZYLLHV-ZRZAMGCNSA-N 1 0 337.507 4.467 1 0 EIAFRO Cc1csc2nc(OCCC[NH+]3CCCCC3)c3cccn3c12 ZINC000040891618 213396867 /nfs/dbraw/zinc/39/68/67/213396867.db2.gz CEQAFGRUCFGESC-UHFFFAOYSA-N 1 0 329.469 4.112 1 0 EIAFRO Cc1ccn2cc(-c3ccc(OCCC[NH+]4CCCC4)cc3)nc2c1 ZINC000001909632 209805459 /nfs/dbraw/zinc/80/54/59/209805459.db2.gz MVBPOZZUALTPQG-UHFFFAOYSA-N 1 0 335.451 4.174 1 0 EIAFRO CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(N)cc3)ccc2[nH+]1 ZINC000036351736 213088094 /nfs/dbraw/zinc/08/80/94/213088094.db2.gz XCGFHRFLMKAVRY-IZZDOVSWSA-N 1 0 346.434 4.004 1 0 EIAFRO CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(O)cc3)ccc2[nH+]1 ZINC000036351722 213087454 /nfs/dbraw/zinc/08/74/54/213087454.db2.gz CQQUNWIOKPWYDC-IZZDOVSWSA-N 1 0 347.418 4.127 1 0 EIAFRO CO[C@@]12CCCC[C@@]13CC[N@H+](CC1CCC1)[C@@H]2Cc1ccc(O)cc13 ZINC000071296591 215756048 /nfs/dbraw/zinc/75/60/48/215756048.db2.gz AVDWHTCJIXKWKF-BHIFYINESA-N 1 0 341.495 4.020 1 0 EIAFRO [NH2+]=C(c1cc2ccc(O)cc2[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC000035259628 213016315 /nfs/dbraw/zinc/01/63/15/213016315.db2.gz BBBUKZLXKVZWHU-UHFFFAOYSA-N 1 0 333.435 4.154 1 0 EIAFRO C[NH2+][C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)OC(=O)[C@@]54CC[C@@H]32)C1 ZINC000072108530 216010819 /nfs/dbraw/zinc/01/08/19/216010819.db2.gz RSFPISDAJMWREU-UACFYWDWSA-N 1 0 343.511 4.079 1 0 EIAFRO Cc1coc(C[C@]23C[C@@]2(c2ccc(Cl)c(Cl)c2)CC[NH2+]C3)n1 ZINC000072116221 216012078 /nfs/dbraw/zinc/01/20/78/216012078.db2.gz XAKHVFLBNVAXLY-IAGOWNOFSA-N 1 0 337.250 4.154 1 0 EIAFRO CC[NH2+][C@H]1CCC[C@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237426 212609042 /nfs/dbraw/zinc/60/90/42/212609042.db2.gz GKDCVGNKESHKGU-LSDHHAIUSA-N 1 0 329.271 4.267 1 0 EIAFRO COc1cccc2c1N[C@@H]1[C@@H]2CC[NH2+][C@@H]1Cc1cccc2ccccc21 ZINC000026662141 212529350 /nfs/dbraw/zinc/52/93/50/212529350.db2.gz MDJXRHFEZCHQBQ-KCZVDYSFSA-N 1 0 344.458 4.331 1 0 EIAFRO CC(C)[NH+](CC[C@@]1(c2ccccc2)C[C@@H]2CCCCN2C1=O)C(C)C ZINC000026275659 212513447 /nfs/dbraw/zinc/51/34/47/212513447.db2.gz NGTHSHJXZHWAHM-UNMCSNQZSA-N 1 0 342.527 4.218 1 0 EIAFRO c1c(C[N@@H+]2CCc3ccccc3C2)sc2nnc(-c3ccccc3)n12 ZINC000021348544 212221309 /nfs/dbraw/zinc/22/13/09/212221309.db2.gz WUJMRQKCPMZNOK-UHFFFAOYSA-N 1 0 346.459 4.016 1 0 EIAFRO CCC[NH+](CCC)[C@@H]1CCc2cccc(C(=O)NC(C)C)c2[C@@H]1C ZINC000013740182 211629204 /nfs/dbraw/zinc/62/92/04/211629204.db2.gz DTWWPOHOAKPMBW-VQIMIIECSA-N 1 0 330.516 4.365 1 0 EIAFRO CCn1c2ccccc2c2cc(NC(=O)CC[NH+]3CCCC3)ccc21 ZINC000013490269 211566995 /nfs/dbraw/zinc/56/69/95/211566995.db2.gz BVLRPFAPSIXVLV-UHFFFAOYSA-N 1 0 335.451 4.239 1 0 EIAFRO C[NH+](C)C[C@@H]1C[C@@H]2c3cccc(Cl)c3Cc3ccccc3N2O1 ZINC000013437260 211557772 /nfs/dbraw/zinc/55/77/72/211557772.db2.gz YDCWINJIBUMKOY-IFXJQAMLSA-N 1 0 328.843 4.057 1 0 EIAFRO O[C@@H](C[C@H]1CCCC[NH2+]1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000169334809 226545223 /nfs/dbraw/zinc/54/52/23/226545223.db2.gz UBTJBCNZKMTYEM-VGSWGCGISA-N 1 0 332.447 4.467 1 0 EIAFRO CC(=O)c1ccc(N2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cc1 ZINC000004981043 563517120 /nfs/dbraw/zinc/51/71/20/563517120.db2.gz DTSZNYCHGCSWRW-FPOVZHCZSA-N 1 0 338.495 4.004 1 0 EIAFRO COc1ccc2cc(C(=O)[C@H]3C[NH+]=C4C=C(C)C=C(C)N4C3)ccc2c1 ZINC000049803292 214033221 /nfs/dbraw/zinc/03/32/21/214033221.db2.gz ZWLXIQPPWIUSGY-IBGZPJMESA-N 1 0 346.430 4.225 1 0 EIAFRO CC(C)Cc1cn(-c2nc(C(N)=[NH2+])cs2)c2cc(Cl)ccc12 ZINC000045334552 213726055 /nfs/dbraw/zinc/72/60/55/213726055.db2.gz RELMTPMJLWWXQN-UHFFFAOYSA-N 1 0 332.860 4.223 1 0 EIAFRO O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCCC1 ZINC000103267788 219278716 /nfs/dbraw/zinc/27/87/16/219278716.db2.gz HKJUAVMSGYJMQM-PWRODBHTSA-N 1 0 335.447 4.170 1 0 EIAFRO CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000040917290 213399685 /nfs/dbraw/zinc/39/96/85/213399685.db2.gz NLRQPOSSIBJNGG-IBGZPJMESA-N 1 0 338.451 4.063 1 0 EIAFRO C[C@@H]1CC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1 ZINC000040700970 213370619 /nfs/dbraw/zinc/37/06/19/213370619.db2.gz LTWIOIIEIHAYGU-OUWXYEHJSA-N 1 0 325.496 4.497 1 0 EIAFRO CCCC[NH+](CCCC)CCCNCc1coc(-c2ccco2)n1 ZINC000072182960 216067641 /nfs/dbraw/zinc/06/76/41/216067641.db2.gz IYWAAANVHCLDKG-UHFFFAOYSA-N 1 0 333.476 4.317 1 0 EIAFRO Cc1noc(C)c1[C@@H](OC1CC[NH2+]CC1)c1ccc(C(C)C)cc1 ZINC000028249067 212611054 /nfs/dbraw/zinc/61/10/54/212611054.db2.gz JSDXDXJQVGXFCS-FQEVSTJZSA-N 1 0 328.456 4.273 1 0 EIAFRO c1cc(C2(c3cc[nH]c3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)c[nH]1 ZINC000026646843 212527911 /nfs/dbraw/zinc/52/79/11/212527911.db2.gz FTHMSNDPXJXXQI-YADHBBJMSA-N 1 0 338.434 4.055 1 0 EIAFRO C[NH+](C)[C@H](Cc1ccccc1)c1nccc2c3cc(O)ccc3[nH]c21 ZINC000015209787 211808087 /nfs/dbraw/zinc/80/80/87/211808087.db2.gz RHWHMFSBROSYKE-LJQANCHMSA-N 1 0 331.419 4.267 1 0 EIAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])c4ccccc4)c3)cc12 ZINC000014957874 581091650 /nfs/dbraw/zinc/09/16/50/581091650.db2.gz AQPXLTYTCOZDFT-HXUWFJFHSA-N 1 0 344.418 4.012 1 0 EIAFRO Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1C[NH2+]C1 ZINC000066058913 215005196 /nfs/dbraw/zinc/00/51/96/215005196.db2.gz VWOHPBLHZAONKH-UHFFFAOYSA-N 1 0 328.170 4.275 1 0 EIAFRO CCOc1ccccc1CCC(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1 ZINC000103237063 219273247 /nfs/dbraw/zinc/27/32/47/219273247.db2.gz DAUOFACYVCSTFD-UHFFFAOYSA-N 1 0 349.434 4.095 1 0 EIAFRO NCC[N@@H+]1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 ZINC000103301413 219287220 /nfs/dbraw/zinc/28/72/20/219287220.db2.gz FVUOROQTTXBLKL-ZRZAMGCNSA-N 1 0 336.523 4.434 1 0 EIAFRO Nc1ccccc1[C@H]1c2ccccc2CC[N@H+]1CCOc1ccccc1 ZINC000040913448 213399970 /nfs/dbraw/zinc/39/99/70/213399970.db2.gz LUPAIGZXTIGZDY-HSZRJFAPSA-N 1 0 344.458 4.295 1 0 EIAFRO CCn1c2cc[nH+]cc2c2cc(NC(=O)c3ccccc3O)ccc21 ZINC000040834541 213391045 /nfs/dbraw/zinc/39/10/45/213391045.db2.gz BVNNVTRVMXNIRF-UHFFFAOYSA-N 1 0 331.375 4.167 1 0 EIAFRO C[NH+](C)CCc1cccc2[nH]c(-c3nc(CCC(C)(C)C)no3)cc21 ZINC000040566123 213352418 /nfs/dbraw/zinc/35/24/18/213352418.db2.gz FNXCZZBSKCIOJR-UHFFFAOYSA-N 1 0 340.471 4.301 1 0 EIAFRO Oc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c2cccnc12 ZINC000040406159 213300420 /nfs/dbraw/zinc/30/04/20/213300420.db2.gz GLTQDEGSNDCQOH-UHFFFAOYSA-N 1 0 332.325 4.249 1 0 EIAFRO C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000001026047 209701729 /nfs/dbraw/zinc/70/17/29/209701729.db2.gz STYAGPHRIVPVTJ-ZWOKBUDYSA-N 1 0 337.463 4.090 1 0 EIAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)OC2CCCC2)[N@@H+]3C)cc1 ZINC000036271095 213079753 /nfs/dbraw/zinc/07/97/53/213079753.db2.gz PSQGGMTYCHMOPL-RSPOEFSDSA-N 1 0 327.468 4.047 1 0 EIAFRO Clc1cccc(C[C@@H](c2ccccc2)N2CC[NH2+]CC2)c1Cl ZINC000036093254 213063435 /nfs/dbraw/zinc/06/34/35/213063435.db2.gz NXRPSLBPUSCIJD-KRWDZBQOSA-N 1 0 335.278 4.182 1 0 EIAFRO C[C@@H]1CCc2c(C(=O)NCCC[N@H+]3[C@H](C)CCC[C@@H]3C)csc2C1 ZINC000005070269 210383455 /nfs/dbraw/zinc/38/34/55/210383455.db2.gz SSDAVWGNVXMOGB-OAGGEKHMSA-N 1 0 348.556 4.256 1 0 EIAFRO Cc1cc([C@H](c2ccc(C(C)C)cc2)N2C[C@H](C)[NH2+][C@@H](C)C2)sn1 ZINC000169302118 226238929 /nfs/dbraw/zinc/23/89/29/226238929.db2.gz KXKZCELYSNODQC-FTRWYGJKSA-N 1 0 343.540 4.347 1 0 EIAFRO C[n+]1c(-c2ccccc2)nn(Cc2ccccc2)c1-c1ccccc1 ZINC000058541038 518185571 /nfs/dbraw/zinc/18/55/71/518185571.db2.gz YWLLBSHSDLRIDR-UHFFFAOYSA-N 1 0 326.423 4.090 1 0 EIAFRO C[NH+](C)CCc1c[nH]c(CCC(c2ccccc2)c2ccccc2)n1 ZINC000013805866 560220519 /nfs/dbraw/zinc/22/05/19/560220519.db2.gz GNBOIGBQIBQOIA-UHFFFAOYSA-N 1 0 333.479 4.279 1 0 in-vitro EIAFRO COc1cccc(-c2nc3ccccc3c(Nc3cc[nH+]cc3)n2)c1 ZINC000004258478 210153510 /nfs/dbraw/zinc/15/35/10/210153510.db2.gz WIEHKHRKXABTRA-UHFFFAOYSA-N 1 0 328.375 4.444 1 0 EIAFRO C[C@@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@H](CCO)c1ccccc12 ZINC000066258315 215028664 /nfs/dbraw/zinc/02/86/64/215028664.db2.gz IXURNWHCTYEQAY-LAUBAEHRSA-N 1 0 337.463 4.193 1 0 EIAFRO Clc1ccc([C@@]23C[NH2+]C[C@@H]2[C@H]3COC2CCCC2)cc1Cl ZINC000045366519 213730840 /nfs/dbraw/zinc/73/08/40/213730840.db2.gz ONSLZFSSJGOMSK-CPUCHLNUSA-N 1 0 326.267 4.040 1 0 EIAFRO Cc1csc2nc(OCC3CC[NH+](C(C)C)CC3)c3cccn3c12 ZINC000040379014 213293114 /nfs/dbraw/zinc/29/31/14/213293114.db2.gz VTPNPBDVPFUPSP-UHFFFAOYSA-N 1 0 343.496 4.357 1 0 EIAFRO CC[NH+](CC)CCC(=O)N[C@@H]1c2ccccc2Oc2c(C)cccc21 ZINC000001624558 209769389 /nfs/dbraw/zinc/76/93/89/209769389.db2.gz AZBIGTAPZFFJAP-HXUWFJFHSA-N 1 0 338.451 4.038 1 0 EIAFRO C[NH2+][C@@H]1C=C[C@@H]([C@@]23CC4=C(C)CC[C@]4([C@H](C)CC2)C3(C)C)N2C[C@@H]12 ZINC000085548286 291007135 /nfs/dbraw/zinc/00/71/35/291007135.db2.gz QMXHHGQOIZSXQQ-XTRVJWCNSA-N 1 0 326.528 4.140 1 0 biogenic,in-vitro EIAFRO O=C(NCC[NH+]1CCCC1)N1c2ccccc2Sc2ccccc21 ZINC000038442189 213209273 /nfs/dbraw/zinc/20/92/73/213209273.db2.gz DUFNIJJWDMNBKO-UHFFFAOYSA-N 1 0 339.464 4.095 1 0 EIAFRO COc1cc2cc[n+](CCc3cccc(Cl)c3)cc2cc1OC ZINC000072106553 216009377 /nfs/dbraw/zinc/00/93/77/216009377.db2.gz ZHYDQROJAZXPGE-UHFFFAOYSA-N 1 0 328.819 4.041 1 0 EIAFRO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3ccccc3)c2cc1Cl ZINC000072141240 216027392 /nfs/dbraw/zinc/02/73/92/216027392.db2.gz QEUBZLPCMMGFHT-UHFFFAOYSA-N 1 0 327.811 4.387 3 0 EIAFRO C[NH+](C)CCCn1ccc2cc(NC(=N)c3cccs3)ccc21 ZINC000072142825 216028137 /nfs/dbraw/zinc/02/81/37/216028137.db2.gz VUJRFVYKJBJJOB-UHFFFAOYSA-N 1 0 326.469 4.092 1 0 EIAFRO CSc1nn(-c2cccc(F)c2)c2cc(C3=CC[NH2+]CC3)ccc21 ZINC000072179651 216066211 /nfs/dbraw/zinc/06/62/11/216066211.db2.gz BHFXIDWQKHRXDC-UHFFFAOYSA-N 1 0 339.439 4.263 1 0 EIAFRO C[NH+](C)C[C@H]1C[C@H]2c3ccc(Cl)cc3Cc3ccccc3N2O1 ZINC000026567218 212525619 /nfs/dbraw/zinc/52/56/19/212525619.db2.gz RCJWVLIRJLNAIE-APWZRJJASA-N 1 0 328.843 4.057 1 0 EIAFRO CCCN(CCC)C(=O)c1cccc2c1[C@@H]1CC[N@H+](CCC)[C@@H]1CC2 ZINC000013740528 211628746 /nfs/dbraw/zinc/62/87/46/211628746.db2.gz BIWNMNHJFZWZIO-UYAOXDASSA-N 1 0 342.527 4.463 1 0 EIAFRO C[NH2+]CCC[C@@H]1Cc2ccccc2N(c2ccc(Cl)cc2)C1=O ZINC000028528508 135740896 /nfs/dbraw/zinc/74/08/96/135740896.db2.gz JZXQQBOUEFCSBP-OAHLLOKOSA-N 1 0 328.843 4.177 1 0 EIAFRO C[C@@H]1[NH2+]C(C)(C)CO[C@@]1(O)c1cccc(-c2ccc3ccccc3c2)c1 ZINC000053224522 214171373 /nfs/dbraw/zinc/17/13/73/214171373.db2.gz YFWBKVXUOIZZMD-QMHKHESXSA-N 1 0 347.458 4.439 1 0 EIAFRO CC(=O)Nc1sc2c(c1-c1cc3ccccc3s1)CC[NH2+]C2 ZINC000036382658 213092650 /nfs/dbraw/zinc/09/26/50/213092650.db2.gz BLOKHVKXFSAWCC-UHFFFAOYSA-N 1 0 328.462 4.234 1 0 EIAFRO [NH3+][C@H]1CCc2c(-c3ccccc3)ccc(-c3ccccc3)c2CC1=O ZINC000072106333 216009303 /nfs/dbraw/zinc/00/93/03/216009303.db2.gz GIALIWVNJLPIKP-QFIPXVFZSA-N 1 0 327.427 4.406 1 0 EIAFRO COc1cccc(Cn2c3ccc(C(F)(F)F)cc3nc2[C@H](C)[NH3+])c1 ZINC000072141543 216027014 /nfs/dbraw/zinc/02/70/14/216027014.db2.gz MFNXELILMQAZRY-NSHDSACASA-N 1 0 349.356 4.132 1 0 EIAFRO Cc1cc(-c2c(F)cc3c(=[NH2+])ccn(C4CC4)c3c2F)cc(C)n1 ZINC000027328599 212553857 /nfs/dbraw/zinc/55/38/57/212553857.db2.gz NPANHLMPSYXETP-UHFFFAOYSA-N 1 0 325.362 4.413 1 0 EIAFRO C[C@H]1C[NH+]=C2N(CC[C@@H]3C[C@H]4CC[C@@H]3C4)[C@@H](C3CCCCC3)CN21 ZINC000027213658 212550014 /nfs/dbraw/zinc/55/00/14/212550014.db2.gz JJDFSKYVEMOTAE-ORFRNNEJSA-N 1 0 329.532 4.137 1 0 EIAFRO CC[NH+](CC)CC/C=C1/c2cccnc2COc2ccc(OC)cc21 ZINC000026838639 212537124 /nfs/dbraw/zinc/53/71/24/212537124.db2.gz DPWLUNLBMGELMR-MFOYZWKCSA-N 1 0 338.451 4.146 1 0 EIAFRO Cc1cccc2[nH]cc(C[C@@H](C)[NH2+]C[C@@H](O)c3cccc(Cl)c3)c21 ZINC000013488807 211566609 /nfs/dbraw/zinc/56/66/09/211566609.db2.gz ZBBKSSFBAYHGKM-AUUYWEPGSA-N 1 0 342.870 4.384 1 0 EIAFRO Cc1ccc2c(C[C@@H](C)[NH2+]C[C@@H](O)c3cccc(Cl)c3)c[nH]c2c1 ZINC000013488813 211567157 /nfs/dbraw/zinc/56/71/57/211567157.db2.gz WOWWREMXHNACHB-JLTOFOAXSA-N 1 0 342.870 4.384 1 0 EIAFRO C[C@@H]1CC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]3C1 ZINC000169293347 534266141 /nfs/dbraw/zinc/26/61/41/534266141.db2.gz LTWIOIIEIHAYGU-FJGOKHBRSA-N 1 0 325.496 4.497 1 0 EIAFRO NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1 ZINC000002047576 581097229 /nfs/dbraw/zinc/09/72/29/581097229.db2.gz GAVRMVQHHVMXFD-UHFFFAOYSA-N 1 0 327.387 4.492 1 0 in-vivo EIAFRO CC[C@H](C)OCC[C@]1(c2ccc(Cl)c(Cl)c2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000101944102 219174531 /nfs/dbraw/zinc/17/45/31/219174531.db2.gz FSLROBKNJCTZIC-HVOFVXBASA-N 1 0 328.283 4.286 1 0 EIAFRO Nc1nccc2cc(C[NH2+]CCc3ccc(Cl)c(Cl)c3)ccc12 ZINC000066100853 215009831 /nfs/dbraw/zinc/00/98/31/215009831.db2.gz BIJYCMAPFSDOCZ-UHFFFAOYSA-N 1 0 346.261 4.456 1 0 EIAFRO Nc1nccc2cc(C[NH2+]CCc3cccc(C(F)(F)F)c3)ccc12 ZINC000066100861 215009964 /nfs/dbraw/zinc/00/99/64/215009964.db2.gz FHGICQLRHVZVCW-UHFFFAOYSA-N 1 0 345.368 4.168 1 0 EIAFRO CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000102321624 219194316 /nfs/dbraw/zinc/19/43/16/219194316.db2.gz PFJXVYZMCGALGZ-UWUNEBHHSA-N 1 0 344.499 4.128 1 0 EIAFRO COc1cccc2c1C[C@@H](CC1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000003814276 210076946 /nfs/dbraw/zinc/07/69/46/210076946.db2.gz KUSSCVJBDDYTOG-LJQANCHMSA-N 1 0 349.474 4.353 1 0 EIAFRO Cc1ccc2c(c1)c1c(n2CCC[NH2+]Cc2cccnc2)CCCC1 ZINC000103298742 219286381 /nfs/dbraw/zinc/28/63/81/219286381.db2.gz HUWQFFUURRGXOQ-UHFFFAOYSA-N 1 0 333.479 4.403 1 0 EIAFRO Cc1cccc(Nc2nc3ccc(C(=[NH2+])NC(C)C)cc3s2)n1 ZINC000040915075 213399652 /nfs/dbraw/zinc/39/96/52/213399652.db2.gz NNMLRFSKXGYZPC-UHFFFAOYSA-N 1 0 325.441 4.067 1 0 EIAFRO CCC[N@@H+]1CCC[C@@H](COc2nc3ccsc3n3cccc23)C1 ZINC000040893229 213397627 /nfs/dbraw/zinc/39/76/27/213397627.db2.gz UMXQETCBUUJJNG-CQSZACIVSA-N 1 0 329.469 4.050 1 0 EIAFRO CCC[N@@H+]1CCC[C@H](COc2nc3ccsc3n3cccc23)C1 ZINC000040893226 213396994 /nfs/dbraw/zinc/39/69/94/213396994.db2.gz UMXQETCBUUJJNG-AWEZNQCLSA-N 1 0 329.469 4.050 1 0 EIAFRO Cc1ccc(C[N@@H+]2CCO[C@@]3(C2)CC(C)(C)Oc2ccccc23)cc1 ZINC000040874103 213395702 /nfs/dbraw/zinc/39/57/02/213395702.db2.gz NSAUKFVGNKVMSE-JOCHJYFZSA-N 1 0 337.463 4.284 1 0 EIAFRO COc1cccc2c1N[C@H]1[C@H]2CC[NH2+][C@@H]1Cc1cccc2ccccc21 ZINC000040460479 213306021 /nfs/dbraw/zinc/30/60/21/213306021.db2.gz MDJXRHFEZCHQBQ-VWPQPMDRSA-N 1 0 344.458 4.331 1 0 EIAFRO C[NH+]1CCC(c2c[nH]c3cc(NC(=N)c4cccs4)ccc32)CC1 ZINC000072105040 216009759 /nfs/dbraw/zinc/00/97/59/216009759.db2.gz SJQKGYZEJFPXQY-UHFFFAOYSA-N 1 0 338.480 4.476 1 0 EIAFRO C[NH+]1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 ZINC000022937780 212337906 /nfs/dbraw/zinc/33/79/06/212337906.db2.gz JBFVCXODUHNOEN-QUCCMNQESA-N 1 0 344.861 4.303 1 0 EIAFRO COc1cccc2c1CCC[C@@H]2CN1CC[NH+](C2CCCCC2)CC1 ZINC000022778605 212322872 /nfs/dbraw/zinc/32/28/72/212322872.db2.gz YHVGSPGZCCLSHP-GOSISDBHSA-N 1 0 342.527 4.065 1 0 EIAFRO CC[C@@H](C)C[C@@H](C)/C=C/CC[C@@H](O)[C@@H](Cc1ccc(O)cc1)[NH2+]C ZINC000014824895 211767336 /nfs/dbraw/zinc/76/73/36/211767336.db2.gz RNCWKUCWPBNWOH-KHTNZIKOSA-N 1 0 333.516 4.292 1 0 EIAFRO Fc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C3)[N@@H+]1CCCc1cccnc1 ZINC000013861345 211652629 /nfs/dbraw/zinc/65/26/29/211652629.db2.gz JHJZSVHCUXVYQO-UZLBHIALSA-N 1 0 335.426 4.396 1 0 EIAFRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000169301316 534227192 /nfs/dbraw/zinc/22/71/92/534227192.db2.gz PASGDOWIXPAUQU-LVCYWYKZSA-N 1 0 339.479 4.026 1 0 EIAFRO