smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161338836 539527653 /nfs/dbraw/zinc/52/76/53/539527653.db2.gz KTHLZNHTOITAKJ-INIZCTEOSA-N 2 2 330.476 2.383 20 70 EEIDLP CC[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000160925522 463382367 /nfs/dbraw/zinc/38/23/67/463382367.db2.gz LOXKHABBGVYFCE-IBGZPJMESA-N 2 2 337.483 2.257 20 70 EEIDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000160307636 206289690 /nfs/dbraw/zinc/28/96/90/206289690.db2.gz OJTHMBLNEXKLBA-WIYYLYMNSA-N 3 2 344.547 2.396 20 70 EEIDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000160307636 206289695 /nfs/dbraw/zinc/28/96/95/206289695.db2.gz OJTHMBLNEXKLBA-WIYYLYMNSA-N 3 2 344.547 2.396 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000160307636 206289700 /nfs/dbraw/zinc/28/97/00/206289700.db2.gz OJTHMBLNEXKLBA-WIYYLYMNSA-N 3 2 344.547 2.396 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000160307636 206289701 /nfs/dbraw/zinc/28/97/01/206289701.db2.gz OJTHMBLNEXKLBA-WIYYLYMNSA-N 3 2 344.547 2.396 20 70 EEIDLP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161336461 539526768 /nfs/dbraw/zinc/52/67/68/539526768.db2.gz IQWHZWBERLZJOS-JFIYKMOQSA-N 2 2 330.476 2.287 20 70 EEIDLP C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161329638 539526887 /nfs/dbraw/zinc/52/68/87/539526887.db2.gz SABZIBISDTYBOW-INIZCTEOSA-N 2 2 336.439 2.181 20 70 EEIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(C2CC2)C1=O ZINC000160060702 311349517 /nfs/dbraw/zinc/34/95/17/311349517.db2.gz SVYFITODROYVOQ-GOSISDBHSA-N 2 2 342.487 2.383 20 70 EEIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(C2CC2)C1=O ZINC000160060702 311349521 /nfs/dbraw/zinc/34/95/21/311349521.db2.gz SVYFITODROYVOQ-GOSISDBHSA-N 2 2 342.487 2.383 20 70 EEIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000161366261 539527639 /nfs/dbraw/zinc/52/76/39/539527639.db2.gz PEKISARCZLWWOZ-PKOBYXMFSA-N 2 2 342.487 2.385 20 70 EEIDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cnccn2)CC1 ZINC000160350823 206291946 /nfs/dbraw/zinc/29/19/46/206291946.db2.gz ZZMSDILRQOVNEC-KRWDZBQOSA-N 2 2 339.487 2.465 20 70 EEIDLP Cc1ccc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000161311536 539527054 /nfs/dbraw/zinc/52/70/54/539527054.db2.gz GOMNJMBDSCXTHT-UHFFFAOYSA-N 2 2 328.391 2.290 20 70 EEIDLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161336235 539527228 /nfs/dbraw/zinc/52/72/28/539527228.db2.gz IQWHZWBERLZJOS-NUJGCVRESA-N 2 2 330.476 2.287 20 70 EEIDLP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161384357 539527293 /nfs/dbraw/zinc/52/72/93/539527293.db2.gz AXMXRARVHLPBRJ-OAHLLOKOSA-N 2 2 342.418 2.048 20 70 EEIDLP Cc1ccccc1CN(C)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161402162 539528521 /nfs/dbraw/zinc/52/85/21/539528521.db2.gz VARXNJLIVKAQCW-UHFFFAOYSA-N 2 2 338.455 2.171 20 70 EEIDLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCC[C@H]([NH3+])C3)cn2c1 ZINC000160776914 463369289 /nfs/dbraw/zinc/36/92/89/463369289.db2.gz PGUSZGWTAQQSNN-KBPBESRZSA-N 2 2 332.473 2.262 20 70 EEIDLP CCN(CC)c1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)c[nH+]1 ZINC000159603917 528300498 /nfs/dbraw/zinc/30/04/98/528300498.db2.gz JTJLWYMUTZBYEC-UHFFFAOYSA-N 2 2 333.480 2.165 20 70 EEIDLP CCN(CC)c1ccc(CNC(=O)N2CCC[N@@H+](CC)CC2)c[nH+]1 ZINC000159603917 528300500 /nfs/dbraw/zinc/30/05/00/528300500.db2.gz JTJLWYMUTZBYEC-UHFFFAOYSA-N 2 2 333.480 2.165 20 70 EEIDLP Cc1cccc2nc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc(=O)n12 ZINC000160904397 463380288 /nfs/dbraw/zinc/38/02/88/463380288.db2.gz ULDRDOREMRESJD-MRXNPFEDSA-N 2 2 349.438 2.332 20 70 EEIDLP Cc1cccc2nc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc(=O)n12 ZINC000160904397 463380293 /nfs/dbraw/zinc/38/02/93/463380293.db2.gz ULDRDOREMRESJD-MRXNPFEDSA-N 2 2 349.438 2.332 20 70 EEIDLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cn2c1 ZINC000160777204 463370487 /nfs/dbraw/zinc/37/04/87/463370487.db2.gz PGUSZGWTAQQSNN-KGLIPLIRSA-N 2 2 332.473 2.262 20 70 EEIDLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161355732 539527042 /nfs/dbraw/zinc/52/70/42/539527042.db2.gz UFNZGCRYLFXWFT-KRWDZBQOSA-N 2 2 338.455 2.423 20 70 EEIDLP CCC[C@@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+](C)C ZINC000161416895 311365455 /nfs/dbraw/zinc/36/54/55/311365455.db2.gz KBCVAHRYBGNABH-KRWDZBQOSA-N 2 2 328.460 2.320 20 70 EEIDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160597190 311356212 /nfs/dbraw/zinc/35/62/12/311356212.db2.gz PHRXKEXZVJPSLA-HLIPFELVSA-N 3 2 331.504 2.337 20 70 EEIDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160597190 311356214 /nfs/dbraw/zinc/35/62/14/311356214.db2.gz PHRXKEXZVJPSLA-HLIPFELVSA-N 3 2 331.504 2.337 20 70 EEIDLP CC[N@@H+]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000159611435 276162100 /nfs/dbraw/zinc/16/21/00/276162100.db2.gz MKQJMNCNADUSBN-UHFFFAOYSA-N 2 2 341.459 2.169 20 70 EEIDLP CC[N@H+]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000159611435 276162101 /nfs/dbraw/zinc/16/21/01/276162101.db2.gz MKQJMNCNADUSBN-UHFFFAOYSA-N 2 2 341.459 2.169 20 70 EEIDLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159650452 463297816 /nfs/dbraw/zinc/29/78/16/463297816.db2.gz OIWIAUDDIPEUCO-SFHVURJKSA-N 2 2 338.455 2.358 20 70 EEIDLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000160296280 225383359 /nfs/dbraw/zinc/38/33/59/225383359.db2.gz XGIWVBJTYAJLPJ-SFHVURJKSA-N 2 2 347.503 2.106 20 70 EEIDLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000160296143 225383507 /nfs/dbraw/zinc/38/35/07/225383507.db2.gz XGIWVBJTYAJLPJ-GOSISDBHSA-N 2 2 347.503 2.106 20 70 EEIDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cnccn3)cc2)CC1 ZINC000160317261 463329181 /nfs/dbraw/zinc/32/91/81/463329181.db2.gz DDRKJZGLTQAWMA-KRWDZBQOSA-N 2 2 339.487 2.465 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cnccn3)cc2)CC1 ZINC000160317261 463329187 /nfs/dbraw/zinc/32/91/87/463329187.db2.gz DDRKJZGLTQAWMA-KRWDZBQOSA-N 2 2 339.487 2.465 20 70 EEIDLP C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161336097 539527384 /nfs/dbraw/zinc/52/73/84/539527384.db2.gz RPQQMCWSELMQOU-CYBMUJFWSA-N 2 2 345.834 2.279 20 70 EEIDLP CC(C)c1nc(N(CC[NH+](C)C)Cc2ccccn2)nc(N(C)C)[nH+]1 ZINC000160717540 311357754 /nfs/dbraw/zinc/35/77/54/311357754.db2.gz MSHQYVBTUOQPRE-UHFFFAOYSA-N 2 2 343.479 2.024 20 70 EEIDLP C[C@@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159614420 534128458 /nfs/dbraw/zinc/12/84/58/534128458.db2.gz ZIVHAKHTRTZBGT-LPHOPBHVSA-N 2 2 340.471 2.494 20 70 EEIDLP C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159614420 534128461 /nfs/dbraw/zinc/12/84/61/534128461.db2.gz ZIVHAKHTRTZBGT-LPHOPBHVSA-N 2 2 340.471 2.494 20 70 EEIDLP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000160366731 463331423 /nfs/dbraw/zinc/33/14/23/463331423.db2.gz CTTWHGNAIDMXKZ-QGZVFWFLSA-N 2 2 328.460 2.187 20 70 EEIDLP Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000160366731 463331426 /nfs/dbraw/zinc/33/14/26/463331426.db2.gz CTTWHGNAIDMXKZ-QGZVFWFLSA-N 2 2 328.460 2.187 20 70 EEIDLP CCCn1c(C)nnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000160127363 311350419 /nfs/dbraw/zinc/35/04/19/311350419.db2.gz XYEZVLWRIBTUJL-UHFFFAOYSA-N 2 2 335.496 2.073 20 70 EEIDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000160307760 529149200 /nfs/dbraw/zinc/14/92/00/529149200.db2.gz OJTHMBLNEXKLBA-NQIIRXRSSA-N 3 2 344.547 2.396 20 70 EEIDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000160307760 529149201 /nfs/dbraw/zinc/14/92/01/529149201.db2.gz OJTHMBLNEXKLBA-NQIIRXRSSA-N 3 2 344.547 2.396 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000160307760 529149202 /nfs/dbraw/zinc/14/92/02/529149202.db2.gz OJTHMBLNEXKLBA-NQIIRXRSSA-N 3 2 344.547 2.396 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000160307760 529149203 /nfs/dbraw/zinc/14/92/03/529149203.db2.gz OJTHMBLNEXKLBA-NQIIRXRSSA-N 3 2 344.547 2.396 20 70 EEIDLP CC[NH+](CC)CCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000161155425 311362874 /nfs/dbraw/zinc/36/28/74/311362874.db2.gz ZYPONSCWLWZVAU-UHFFFAOYSA-N 2 2 329.448 2.288 20 70 EEIDLP CC(=O)NC1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000161024192 463392388 /nfs/dbraw/zinc/39/23/88/463392388.db2.gz ORSRWUGHWCBGJM-UHFFFAOYSA-N 2 2 345.487 2.056 20 70 EEIDLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000159609740 539516655 /nfs/dbraw/zinc/51/66/55/539516655.db2.gz TZUBJRLVUOAUKZ-MRXNPFEDSA-N 2 2 344.503 2.250 20 70 EEIDLP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161363520 539527777 /nfs/dbraw/zinc/52/77/77/539527777.db2.gz HSNHDIJYSBRMDI-OAHLLOKOSA-N 2 2 344.484 2.013 20 70 EEIDLP CC(C)c1nc(N(CC[NH+](C)C)Cc2ccco2)nc(N(C)C)[nH+]1 ZINC000160513343 463345951 /nfs/dbraw/zinc/34/59/51/463345951.db2.gz YMFFSXQABOUTNI-UHFFFAOYSA-N 2 2 332.452 2.222 20 70 EEIDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000159401829 463284946 /nfs/dbraw/zinc/28/49/46/463284946.db2.gz HIBQUQONBFAKGA-KRWDZBQOSA-N 2 2 333.501 2.193 20 70 EEIDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000159401829 463284950 /nfs/dbraw/zinc/28/49/50/463284950.db2.gz HIBQUQONBFAKGA-KRWDZBQOSA-N 2 2 333.501 2.193 20 70 EEIDLP Cc1ccccc1OCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159366384 463283148 /nfs/dbraw/zinc/28/31/48/463283148.db2.gz PDELGKFPSCJAFR-SFHVURJKSA-N 2 2 345.487 2.178 20 70 EEIDLP Cc1ccccc1OCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159366384 463283153 /nfs/dbraw/zinc/28/31/53/463283153.db2.gz PDELGKFPSCJAFR-SFHVURJKSA-N 2 2 345.487 2.178 20 70 EEIDLP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161363383 539527217 /nfs/dbraw/zinc/52/72/17/539527217.db2.gz HSNHDIJYSBRMDI-HNNXBMFYSA-N 2 2 344.484 2.013 20 70 EEIDLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161330586 539527328 /nfs/dbraw/zinc/52/73/28/539527328.db2.gz BBHIGCOEZRKXSM-MRXNPFEDSA-N 2 2 330.476 2.289 20 70 EEIDLP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160227847 463323964 /nfs/dbraw/zinc/32/39/64/463323964.db2.gz VSTSTZCTADURCM-CQSZACIVSA-N 2 2 328.416 2.025 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cnn(C)c3)cc2)CC1 ZINC000160319461 463328702 /nfs/dbraw/zinc/32/87/02/463328702.db2.gz RHTJGMMMUUAPJE-QGZVFWFLSA-N 2 2 341.503 2.408 20 70 EEIDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cnccn2)CC1 ZINC000160350953 206291414 /nfs/dbraw/zinc/29/14/14/206291414.db2.gz ZZMSDILRQOVNEC-QGZVFWFLSA-N 2 2 339.487 2.465 20 70 EEIDLP CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161350886 539526705 /nfs/dbraw/zinc/52/67/05/539526705.db2.gz APULIYBVFUPXLK-OAHLLOKOSA-N 2 2 342.447 2.008 20 70 EEIDLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161326297 539527009 /nfs/dbraw/zinc/52/70/09/539527009.db2.gz JHXMFMQQHOASKK-SJORKVTESA-N 2 2 330.476 2.383 20 70 EEIDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160460156 288105008 /nfs/dbraw/zinc/10/50/08/288105008.db2.gz MKXWWFJTMYDOJD-HLIPFELVSA-N 3 2 331.504 2.337 20 70 EEIDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160460156 288105011 /nfs/dbraw/zinc/10/50/11/288105011.db2.gz MKXWWFJTMYDOJD-HLIPFELVSA-N 3 2 331.504 2.337 20 70 EEIDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000160240125 206286617 /nfs/dbraw/zinc/28/66/17/206286617.db2.gz VLTXZHKSLZQNJV-HOCLYGCPSA-N 2 2 349.442 2.177 20 70 EEIDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000160240125 206286621 /nfs/dbraw/zinc/28/66/21/206286621.db2.gz VLTXZHKSLZQNJV-HOCLYGCPSA-N 2 2 349.442 2.177 20 70 EEIDLP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161338441 539527717 /nfs/dbraw/zinc/52/77/17/539527717.db2.gz STVOJHBCPDGMDN-OAHLLOKOSA-N 2 2 340.427 2.239 20 70 EEIDLP CC[N@@H+]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000159754322 206261684 /nfs/dbraw/zinc/26/16/84/206261684.db2.gz FECXXCSLUOQKPD-UHFFFAOYSA-N 2 2 345.422 2.249 20 70 EEIDLP CC[N@H+]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000159754322 206261686 /nfs/dbraw/zinc/26/16/86/206261686.db2.gz FECXXCSLUOQKPD-UHFFFAOYSA-N 2 2 345.422 2.249 20 70 EEIDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@H](C)C1 ZINC000160445381 206296826 /nfs/dbraw/zinc/29/68/26/206296826.db2.gz HTVQAJOYDKZWME-XLIONFOSSA-N 3 2 331.504 2.339 20 70 EEIDLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@H](C)C1 ZINC000160445381 206296832 /nfs/dbraw/zinc/29/68/32/206296832.db2.gz HTVQAJOYDKZWME-XLIONFOSSA-N 3 2 331.504 2.339 20 70 EEIDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@H](C)C1 ZINC000160445381 206296837 /nfs/dbraw/zinc/29/68/37/206296837.db2.gz HTVQAJOYDKZWME-XLIONFOSSA-N 2 2 331.504 2.339 20 70 EEIDLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@H](C)C1 ZINC000160445381 206296842 /nfs/dbraw/zinc/29/68/42/206296842.db2.gz HTVQAJOYDKZWME-XLIONFOSSA-N 2 2 331.504 2.339 20 70 EEIDLP CCC[C@@H](C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[NH+](C)C ZINC000161338492 206341626 /nfs/dbraw/zinc/34/16/26/206341626.db2.gz QAMCJMMCJLRYEI-INIZCTEOSA-N 2 2 347.507 2.287 20 70 EEIDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160597430 311356631 /nfs/dbraw/zinc/35/66/31/311356631.db2.gz PHRXKEXZVJPSLA-MBOZVWFJSA-N 3 2 331.504 2.337 20 70 EEIDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160597430 311356633 /nfs/dbraw/zinc/35/66/33/311356633.db2.gz PHRXKEXZVJPSLA-MBOZVWFJSA-N 3 2 331.504 2.337 20 70 EEIDLP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)c3ccc(C)cc3)C2)CC1 ZINC000159539940 206251959 /nfs/dbraw/zinc/25/19/59/206251959.db2.gz UTZQCEBOLJWUIH-IBGZPJMESA-N 2 2 329.488 2.280 20 70 EEIDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)c3ccc(C)cc3)C2)CC1 ZINC000159539940 206251963 /nfs/dbraw/zinc/25/19/63/206251963.db2.gz UTZQCEBOLJWUIH-IBGZPJMESA-N 2 2 329.488 2.280 20 70 EEIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000161365848 539527587 /nfs/dbraw/zinc/52/75/87/539527587.db2.gz PEKISARCZLWWOZ-MJGOQNOKSA-N 2 2 342.487 2.385 20 70 EEIDLP C(CN1CC[NH+](CCC[NH+]2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000160403039 273985253 /nfs/dbraw/zinc/98/52/53/273985253.db2.gz WLXTWYSAUMBNRP-UHFFFAOYSA-N 3 2 336.568 2.356 20 70 EEIDLP C[NH+](C)CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000160735031 463365859 /nfs/dbraw/zinc/36/58/59/463365859.db2.gz ATUOZJPVMGZUFY-UHFFFAOYSA-N 2 2 347.507 2.278 20 70 EEIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCCNC1=O ZINC000160081425 528349020 /nfs/dbraw/zinc/34/90/20/528349020.db2.gz YLDCKPBSIMRNNJ-KRWDZBQOSA-N 2 2 330.476 2.289 20 70 EEIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCCNC1=O ZINC000160081425 528349023 /nfs/dbraw/zinc/34/90/23/528349023.db2.gz YLDCKPBSIMRNNJ-KRWDZBQOSA-N 2 2 330.476 2.289 20 70 EEIDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000160239966 225370086 /nfs/dbraw/zinc/37/00/86/225370086.db2.gz VLTXZHKSLZQNJV-ZBFHGGJFSA-N 2 2 349.442 2.177 20 70 EEIDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000160239966 225370088 /nfs/dbraw/zinc/37/00/88/225370088.db2.gz VLTXZHKSLZQNJV-ZBFHGGJFSA-N 2 2 349.442 2.177 20 70 EEIDLP Cc1ccccc1C[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000160523848 463347046 /nfs/dbraw/zinc/34/70/46/463347046.db2.gz XOFACNJLNVAUJD-UHFFFAOYSA-N 2 2 325.460 2.169 20 70 EEIDLP Cc1ccccc1C[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000160523848 463347050 /nfs/dbraw/zinc/34/70/50/463347050.db2.gz XOFACNJLNVAUJD-UHFFFAOYSA-N 2 2 325.460 2.169 20 70 EEIDLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161326164 539527320 /nfs/dbraw/zinc/52/73/20/539527320.db2.gz JHXMFMQQHOASKK-IAGOWNOFSA-N 2 2 330.476 2.383 20 70 EEIDLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160837123 284194833 /nfs/dbraw/zinc/19/48/33/284194833.db2.gz ILUHUOICVASCCR-HNNXBMFYSA-N 2 2 331.464 2.247 20 70 EEIDLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160837123 284194843 /nfs/dbraw/zinc/19/48/43/284194843.db2.gz ILUHUOICVASCCR-HNNXBMFYSA-N 2 2 331.464 2.247 20 70 EEIDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000160319048 463328178 /nfs/dbraw/zinc/32/81/78/463328178.db2.gz SWFAGOLTMNEMQP-RXVVDRJESA-N 3 2 344.547 2.254 20 70 EEIDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000160319048 463328184 /nfs/dbraw/zinc/32/81/84/463328184.db2.gz SWFAGOLTMNEMQP-RXVVDRJESA-N 3 2 344.547 2.254 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000160319048 463328188 /nfs/dbraw/zinc/32/81/88/463328188.db2.gz SWFAGOLTMNEMQP-RXVVDRJESA-N 3 2 344.547 2.254 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000160319048 463328193 /nfs/dbraw/zinc/32/81/93/463328193.db2.gz SWFAGOLTMNEMQP-RXVVDRJESA-N 3 2 344.547 2.254 20 70 EEIDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160597513 311356382 /nfs/dbraw/zinc/35/63/82/311356382.db2.gz PHRXKEXZVJPSLA-FUHIMQAGSA-N 3 2 331.504 2.337 20 70 EEIDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160597513 311356384 /nfs/dbraw/zinc/35/63/84/311356384.db2.gz PHRXKEXZVJPSLA-FUHIMQAGSA-N 3 2 331.504 2.337 20 70 EEIDLP CCOc1cccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000161004086 255801606 /nfs/dbraw/zinc/80/16/06/255801606.db2.gz YEAMSSYLWCZYRL-UHFFFAOYSA-N 2 2 332.492 2.478 20 70 EEIDLP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000160366883 463331952 /nfs/dbraw/zinc/33/19/52/463331952.db2.gz CTTWHGNAIDMXKZ-KRWDZBQOSA-N 2 2 328.460 2.187 20 70 EEIDLP Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000160366883 463331954 /nfs/dbraw/zinc/33/19/54/463331954.db2.gz CTTWHGNAIDMXKZ-KRWDZBQOSA-N 2 2 328.460 2.187 20 70 EEIDLP CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161307783 539526198 /nfs/dbraw/zinc/52/61/98/539526198.db2.gz JDIWLTXOOJMNRA-UHFFFAOYSA-N 2 2 332.492 2.344 20 70 EEIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(Cl)c1 ZINC000161289383 539526285 /nfs/dbraw/zinc/52/62/85/539526285.db2.gz QCKPSNHBPSUPTJ-UHFFFAOYSA-N 2 2 330.819 2.496 20 70 EEIDLP CC1CCC(N(C)C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000161364951 539526934 /nfs/dbraw/zinc/52/69/34/539526934.db2.gz FCAZSEWWHXKDCT-UHFFFAOYSA-N 2 2 330.476 2.241 20 70 EEIDLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000159399627 463284047 /nfs/dbraw/zinc/28/40/47/463284047.db2.gz ZIZMEEFMQTVXPH-GOSISDBHSA-N 2 2 338.455 2.149 20 70 EEIDLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000159399627 463284052 /nfs/dbraw/zinc/28/40/52/463284052.db2.gz ZIZMEEFMQTVXPH-GOSISDBHSA-N 2 2 338.455 2.149 20 70 EEIDLP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000159609600 539516854 /nfs/dbraw/zinc/51/68/54/539516854.db2.gz TZUBJRLVUOAUKZ-INIZCTEOSA-N 2 2 344.503 2.250 20 70 EEIDLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000159401692 463284860 /nfs/dbraw/zinc/28/48/60/463284860.db2.gz HIBQUQONBFAKGA-QGZVFWFLSA-N 2 2 333.501 2.193 20 70 EEIDLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000159401692 463284867 /nfs/dbraw/zinc/28/48/67/463284867.db2.gz HIBQUQONBFAKGA-QGZVFWFLSA-N 2 2 333.501 2.193 20 70 EEIDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000159925121 225303234 /nfs/dbraw/zinc/30/32/34/225303234.db2.gz YQQGIWZWQRJRFR-WBVHZDCISA-N 2 2 341.459 2.082 20 70 EEIDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000159925121 225303237 /nfs/dbraw/zinc/30/32/37/225303237.db2.gz YQQGIWZWQRJRFR-WBVHZDCISA-N 2 2 341.459 2.082 20 70 EEIDLP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160886647 463379128 /nfs/dbraw/zinc/37/91/28/463379128.db2.gz NMWKHQPGUOILMX-MRXNPFEDSA-N 2 2 330.476 2.216 20 70 EEIDLP CC[N@@H+]1CCCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000159554820 529024493 /nfs/dbraw/zinc/02/44/93/529024493.db2.gz LTRAUBKZYYZDEO-UHFFFAOYSA-N 2 2 329.448 2.082 20 70 EEIDLP CC[N@H+]1CCCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000159554820 529024496 /nfs/dbraw/zinc/02/44/96/529024496.db2.gz LTRAUBKZYYZDEO-UHFFFAOYSA-N 2 2 329.448 2.082 20 70 EEIDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C(N)=O)c2ccccc2)CC1 ZINC000159907249 225299547 /nfs/dbraw/zinc/29/95/47/225299547.db2.gz FDWQKFNXKLRMAB-KXBFYZLASA-N 2 2 338.455 2.423 20 70 EEIDLP CC[NH2+]CC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000161135856 463403215 /nfs/dbraw/zinc/40/32/15/463403215.db2.gz NMEIRQSCBYJHCY-UHFFFAOYSA-N 2 2 326.444 2.393 20 70 EEIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC1CC1 ZINC000160041752 276121513 /nfs/dbraw/zinc/12/15/13/276121513.db2.gz LCGGZUBKQJRPEC-OAHLLOKOSA-N 2 2 330.476 2.287 20 70 EEIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC1CC1 ZINC000160041752 276121514 /nfs/dbraw/zinc/12/15/14/276121514.db2.gz LCGGZUBKQJRPEC-OAHLLOKOSA-N 2 2 330.476 2.287 20 70 EEIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000161366124 539527798 /nfs/dbraw/zinc/52/77/98/539527798.db2.gz PEKISARCZLWWOZ-IEBWSBKVSA-N 2 2 342.487 2.385 20 70 EEIDLP O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000159712483 463301570 /nfs/dbraw/zinc/30/15/70/463301570.db2.gz UVYGQCAIFLPMDF-WMZOPIPTSA-N 2 2 331.460 2.188 20 70 EEIDLP O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000159712483 463301575 /nfs/dbraw/zinc/30/15/75/463301575.db2.gz UVYGQCAIFLPMDF-WMZOPIPTSA-N 2 2 331.460 2.188 20 70 EEIDLP CCc1nsc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000161387622 463427438 /nfs/dbraw/zinc/42/74/38/463427438.db2.gz PZULLQNGIBWALF-UHFFFAOYSA-N 2 2 337.537 2.489 20 70 EEIDLP CCc1nsc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000161387622 463427443 /nfs/dbraw/zinc/42/74/43/463427443.db2.gz PZULLQNGIBWALF-UHFFFAOYSA-N 2 2 337.537 2.489 20 70 EEIDLP CC[C@H](C(=O)NCc1cn2cc(Br)ccc2[nH+]1)[NH+](C)C ZINC000159708450 311345277 /nfs/dbraw/zinc/34/52/77/311345277.db2.gz QDZGEBRCJNUACW-GFCCVEGCSA-N 2 2 339.237 2.053 20 70 EEIDLP CC[NH+](CC)CCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159458023 535532358 /nfs/dbraw/zinc/53/23/58/535532358.db2.gz ZFMIPZYAZNPMLO-HNNXBMFYSA-N 2 2 338.521 2.478 20 70 EEIDLP Cc1ccc(C)c([C@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)c1 ZINC000160925400 311359955 /nfs/dbraw/zinc/35/99/55/311359955.db2.gz CUYLTIIEIFLCOS-IBGZPJMESA-N 2 2 333.520 2.344 20 70 EEIDLP C[NH+](C)C1CC[NH+](CCNC(=O)CCc2ccc(F)cc2F)CC1 ZINC000160914836 463381600 /nfs/dbraw/zinc/38/16/00/463381600.db2.gz NBEDDYORSNUQIE-UHFFFAOYSA-N 2 2 339.430 2.040 20 70 EEIDLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)cn21 ZINC000159544827 463291434 /nfs/dbraw/zinc/29/14/34/463291434.db2.gz BHNHYKRCQDLNBG-MRXNPFEDSA-N 2 2 329.448 2.124 20 70 EEIDLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)cn21 ZINC000159544827 463291437 /nfs/dbraw/zinc/29/14/37/463291437.db2.gz BHNHYKRCQDLNBG-MRXNPFEDSA-N 2 2 329.448 2.124 20 70 EEIDLP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161384261 539527501 /nfs/dbraw/zinc/52/75/01/539527501.db2.gz AXMXRARVHLPBRJ-HNNXBMFYSA-N 2 2 342.418 2.048 20 70 EEIDLP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161399293 539527622 /nfs/dbraw/zinc/52/76/22/539527622.db2.gz YAGDTXCTUWEOGB-BRWVUGGUSA-N 2 2 330.476 2.097 20 70 EEIDLP Cc1ccc(C)c([C@@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)c1 ZINC000160925268 311360155 /nfs/dbraw/zinc/36/01/55/311360155.db2.gz CUYLTIIEIFLCOS-LJQANCHMSA-N 2 2 333.520 2.344 20 70 EEIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(C2CC2)C1=O ZINC000160060832 311349638 /nfs/dbraw/zinc/34/96/38/311349638.db2.gz SVYFITODROYVOQ-SFHVURJKSA-N 2 2 342.487 2.383 20 70 EEIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(C2CC2)C1=O ZINC000160060832 311349640 /nfs/dbraw/zinc/34/96/40/311349640.db2.gz SVYFITODROYVOQ-SFHVURJKSA-N 2 2 342.487 2.383 20 70 EEIDLP Cc1ccccc1OCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159366198 463283233 /nfs/dbraw/zinc/28/32/33/463283233.db2.gz PDELGKFPSCJAFR-GOSISDBHSA-N 2 2 345.487 2.178 20 70 EEIDLP Cc1ccccc1OCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159366198 463283236 /nfs/dbraw/zinc/28/32/36/463283236.db2.gz PDELGKFPSCJAFR-GOSISDBHSA-N 2 2 345.487 2.178 20 70 EEIDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C(N)=O)c2ccccc2)CC1 ZINC000159907520 206269490 /nfs/dbraw/zinc/26/94/90/206269490.db2.gz FDWQKFNXKLRMAB-HNAYVOBHSA-N 2 2 338.455 2.423 20 70 EEIDLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161326426 539527132 /nfs/dbraw/zinc/52/71/32/539527132.db2.gz JHXMFMQQHOASKK-DLBZAZTESA-N 2 2 330.476 2.383 20 70 EEIDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000161185564 311363404 /nfs/dbraw/zinc/36/34/04/311363404.db2.gz JDKUVMGGDDXGMG-GXTWGEPZSA-N 2 2 329.286 2.498 20 70 EEIDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000161185564 311363402 /nfs/dbraw/zinc/36/34/02/311363402.db2.gz JDKUVMGGDDXGMG-GXTWGEPZSA-N 2 2 329.286 2.498 20 70 EEIDLP COc1ccc(C[N@H+](CCO)CCC[NH+]2CCCCC2)c(OC)c1 ZINC000161068525 206327218 /nfs/dbraw/zinc/32/72/18/206327218.db2.gz KHUYHOKWJMUXOZ-UHFFFAOYSA-N 2 2 336.476 2.374 20 70 EEIDLP COc1ccc(C[N@@H+](CCO)CCC[NH+]2CCCCC2)c(OC)c1 ZINC000161068525 206327222 /nfs/dbraw/zinc/32/72/22/206327222.db2.gz KHUYHOKWJMUXOZ-UHFFFAOYSA-N 2 2 336.476 2.374 20 70 EEIDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000160318898 463328824 /nfs/dbraw/zinc/32/88/24/463328824.db2.gz SWFAGOLTMNEMQP-GHTZIAJQSA-N 3 2 344.547 2.254 20 70 EEIDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000160318898 463328832 /nfs/dbraw/zinc/32/88/32/463328832.db2.gz SWFAGOLTMNEMQP-GHTZIAJQSA-N 3 2 344.547 2.254 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000160318898 463328835 /nfs/dbraw/zinc/32/88/35/463328835.db2.gz SWFAGOLTMNEMQP-GHTZIAJQSA-N 3 2 344.547 2.254 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000160318898 463328840 /nfs/dbraw/zinc/32/88/40/463328840.db2.gz SWFAGOLTMNEMQP-GHTZIAJQSA-N 3 2 344.547 2.254 20 70 EEIDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000160351690 463330054 /nfs/dbraw/zinc/33/00/54/463330054.db2.gz SEGGXMCPEVTWDV-GHTZIAJQSA-N 3 2 344.547 2.254 20 70 EEIDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000160351690 463330059 /nfs/dbraw/zinc/33/00/59/463330059.db2.gz SEGGXMCPEVTWDV-GHTZIAJQSA-N 3 2 344.547 2.254 20 70 EEIDLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000160351690 463330063 /nfs/dbraw/zinc/33/00/63/463330063.db2.gz SEGGXMCPEVTWDV-GHTZIAJQSA-N 3 2 344.547 2.254 20 70 EEIDLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000160351690 463330068 /nfs/dbraw/zinc/33/00/68/463330068.db2.gz SEGGXMCPEVTWDV-GHTZIAJQSA-N 3 2 344.547 2.254 20 70 EEIDLP COc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161378360 539527835 /nfs/dbraw/zinc/52/78/35/539527835.db2.gz GIFNVANWQLESJQ-HNNXBMFYSA-N 2 2 340.427 2.239 20 70 EEIDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000159925292 225302962 /nfs/dbraw/zinc/30/29/62/225302962.db2.gz YQQGIWZWQRJRFR-RDJZCZTQSA-N 2 2 341.459 2.082 20 70 EEIDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000159925292 225302968 /nfs/dbraw/zinc/30/29/68/225302968.db2.gz YQQGIWZWQRJRFR-RDJZCZTQSA-N 2 2 341.459 2.082 20 70 EEIDLP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160886779 463379242 /nfs/dbraw/zinc/37/92/42/463379242.db2.gz NMWKHQPGUOILMX-INIZCTEOSA-N 2 2 330.476 2.216 20 70 EEIDLP Cc1cccc2nc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc(=O)n12 ZINC000160904527 463380058 /nfs/dbraw/zinc/38/00/58/463380058.db2.gz ULDRDOREMRESJD-INIZCTEOSA-N 2 2 349.438 2.332 20 70 EEIDLP Cc1cccc2nc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc(=O)n12 ZINC000160904527 463380062 /nfs/dbraw/zinc/38/00/62/463380062.db2.gz ULDRDOREMRESJD-INIZCTEOSA-N 2 2 349.438 2.332 20 70 EEIDLP CC[C@@H](C(=O)NCc1cn2cc(Br)ccc2[nH+]1)[NH+](C)C ZINC000159708317 311344936 /nfs/dbraw/zinc/34/49/36/311344936.db2.gz QDZGEBRCJNUACW-LBPRGKRZSA-N 2 2 339.237 2.053 20 70 EEIDLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)cn21 ZINC000159544962 463291020 /nfs/dbraw/zinc/29/10/20/463291020.db2.gz BHNHYKRCQDLNBG-INIZCTEOSA-N 2 2 329.448 2.124 20 70 EEIDLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@H+](C)C[C@H]3C(C)C)cn21 ZINC000159544962 463291023 /nfs/dbraw/zinc/29/10/23/463291023.db2.gz BHNHYKRCQDLNBG-INIZCTEOSA-N 2 2 329.448 2.124 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cnn(C)c3)cc2)CC1 ZINC000160319358 463329232 /nfs/dbraw/zinc/32/92/32/463329232.db2.gz RHTJGMMMUUAPJE-KRWDZBQOSA-N 2 2 341.503 2.408 20 70 EEIDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000160351810 463329892 /nfs/dbraw/zinc/32/98/92/463329892.db2.gz SEGGXMCPEVTWDV-RXVVDRJESA-N 3 2 344.547 2.254 20 70 EEIDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000160351810 463329898 /nfs/dbraw/zinc/32/98/98/463329898.db2.gz SEGGXMCPEVTWDV-RXVVDRJESA-N 3 2 344.547 2.254 20 70 EEIDLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000160351810 463329901 /nfs/dbraw/zinc/32/99/01/463329901.db2.gz SEGGXMCPEVTWDV-RXVVDRJESA-N 3 2 344.547 2.254 20 70 EEIDLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000160351810 463329905 /nfs/dbraw/zinc/32/99/05/463329905.db2.gz SEGGXMCPEVTWDV-RXVVDRJESA-N 3 2 344.547 2.254 20 70 EEIDLP C[NH2+]C[C@H]1CCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000161304385 277284029 /nfs/dbraw/zinc/28/40/29/277284029.db2.gz ISJJYTZRIGHXIP-OAHLLOKOSA-N 2 2 332.473 2.086 20 70 EEIDLP C[C@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159614564 290273961 /nfs/dbraw/zinc/27/39/61/290273961.db2.gz ZIVHAKHTRTZBGT-APWZRJJASA-N 2 2 340.471 2.494 20 70 EEIDLP C[C@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159614564 290273965 /nfs/dbraw/zinc/27/39/65/290273965.db2.gz ZIVHAKHTRTZBGT-APWZRJJASA-N 2 2 340.471 2.494 20 70 EEIDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000161185692 311363470 /nfs/dbraw/zinc/36/34/70/311363470.db2.gz JDKUVMGGDDXGMG-JSGCOSHPSA-N 2 2 329.286 2.498 20 70 EEIDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000161185692 311363471 /nfs/dbraw/zinc/36/34/71/311363471.db2.gz JDKUVMGGDDXGMG-JSGCOSHPSA-N 2 2 329.286 2.498 20 70 EEIDLP COc1cc[nH+]c(N2CC[NH+](Cc3c(C)nc4ccccn43)CC2)c1 ZINC000159840282 463306352 /nfs/dbraw/zinc/30/63/52/463306352.db2.gz UAZTWHOQLAWWHL-UHFFFAOYSA-N 2 2 337.427 2.369 20 70 EEIDLP Cc1nccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1Cl ZINC000160015320 539519682 /nfs/dbraw/zinc/51/96/82/539519682.db2.gz IZXNUVXAJWCQPX-UHFFFAOYSA-N 2 2 339.871 2.191 20 70 EEIDLP O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161359006 539527484 /nfs/dbraw/zinc/52/74/84/539527484.db2.gz XXNLYSQXOOTOJQ-IBGZPJMESA-N 2 2 336.439 2.224 20 70 EEIDLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCc1nccs1)c1ccccc1 ZINC000159496164 225228995 /nfs/dbraw/zinc/22/89/95/225228995.db2.gz XNEASBVXTDODRE-MRXNPFEDSA-N 2 2 346.500 2.037 20 70 EEIDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCc1nccs1)c1ccccc1 ZINC000159496164 225229000 /nfs/dbraw/zinc/22/90/00/225229000.db2.gz XNEASBVXTDODRE-MRXNPFEDSA-N 2 2 346.500 2.037 20 70 EEIDLP C[NH+](C)CCN(C(=O)NCCCNc1cccc[nH+]1)C1CCCC1 ZINC000160681743 311357411 /nfs/dbraw/zinc/35/74/11/311357411.db2.gz CYONAQGBGKJEOO-UHFFFAOYSA-N 2 2 333.480 2.399 20 70 EEIDLP CC[N@@H+]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000159745561 529029444 /nfs/dbraw/zinc/02/94/44/529029444.db2.gz MVQSGEMCDCCEMN-UHFFFAOYSA-N 2 2 327.432 2.110 20 70 EEIDLP CC[N@H+]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000159745561 529029452 /nfs/dbraw/zinc/02/94/52/529029452.db2.gz MVQSGEMCDCCEMN-UHFFFAOYSA-N 2 2 327.432 2.110 20 70 EEIDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000160338784 529149881 /nfs/dbraw/zinc/14/98/81/529149881.db2.gz QPUBFDAVLJIJKX-WIYYLYMNSA-N 3 2 344.547 2.396 20 70 EEIDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000160338784 529149882 /nfs/dbraw/zinc/14/98/82/529149882.db2.gz QPUBFDAVLJIJKX-WIYYLYMNSA-N 3 2 344.547 2.396 20 70 EEIDLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000160338784 529149883 /nfs/dbraw/zinc/14/98/83/529149883.db2.gz QPUBFDAVLJIJKX-WIYYLYMNSA-N 3 2 344.547 2.396 20 70 EEIDLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000160338784 529149884 /nfs/dbraw/zinc/14/98/84/529149884.db2.gz QPUBFDAVLJIJKX-WIYYLYMNSA-N 3 2 344.547 2.396 20 70 EEIDLP CC[N@@H+]1CCCN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000159541598 529024397 /nfs/dbraw/zinc/02/43/97/529024397.db2.gz SIEMACSDVDHLND-UHFFFAOYSA-N 2 2 343.475 2.472 20 70 EEIDLP CC[N@H+]1CCCN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000159541598 529024403 /nfs/dbraw/zinc/02/44/03/529024403.db2.gz SIEMACSDVDHLND-UHFFFAOYSA-N 2 2 343.475 2.472 20 70 EEIDLP CC[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000160925644 463382296 /nfs/dbraw/zinc/38/22/96/463382296.db2.gz LOXKHABBGVYFCE-LJQANCHMSA-N 2 2 337.483 2.257 20 70 EEIDLP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161335987 539527419 /nfs/dbraw/zinc/52/74/19/539527419.db2.gz RPQQMCWSELMQOU-ZDUSSCGKSA-N 2 2 345.834 2.279 20 70 EEIDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C(N)=O)c2ccccc2)CC1 ZINC000159907670 225299802 /nfs/dbraw/zinc/29/98/02/225299802.db2.gz FDWQKFNXKLRMAB-DNVCBOLYSA-N 2 2 338.455 2.423 20 70 EEIDLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCc1nccs1)c1ccccc1 ZINC000159496057 463289601 /nfs/dbraw/zinc/28/96/01/463289601.db2.gz XNEASBVXTDODRE-INIZCTEOSA-N 2 2 346.500 2.037 20 70 EEIDLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CCc1nccs1)c1ccccc1 ZINC000159496057 463289606 /nfs/dbraw/zinc/28/96/06/463289606.db2.gz XNEASBVXTDODRE-INIZCTEOSA-N 2 2 346.500 2.037 20 70 EEIDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@H](C)C1 ZINC000160445520 463340377 /nfs/dbraw/zinc/34/03/77/463340377.db2.gz HTVQAJOYDKZWME-YLJYHZDGSA-N 3 2 331.504 2.339 20 70 EEIDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@H](C)C1 ZINC000160445520 463340383 /nfs/dbraw/zinc/34/03/83/463340383.db2.gz HTVQAJOYDKZWME-YLJYHZDGSA-N 3 2 331.504 2.339 20 70 EEIDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@H](C)C1 ZINC000160445520 463340386 /nfs/dbraw/zinc/34/03/86/463340386.db2.gz HTVQAJOYDKZWME-YLJYHZDGSA-N 2 2 331.504 2.339 20 70 EEIDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@H](C)C1 ZINC000160445520 463340389 /nfs/dbraw/zinc/34/03/89/463340389.db2.gz HTVQAJOYDKZWME-YLJYHZDGSA-N 2 2 331.504 2.339 20 70 EEIDLP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161351016 539527671 /nfs/dbraw/zinc/52/76/71/539527671.db2.gz APULIYBVFUPXLK-HNNXBMFYSA-N 2 2 342.447 2.008 20 70 EEIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000161365999 539527822 /nfs/dbraw/zinc/52/78/22/539527822.db2.gz PEKISARCZLWWOZ-HKUYNNGSSA-N 2 2 342.487 2.385 20 70 EEIDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000159500126 311342210 /nfs/dbraw/zinc/34/22/10/311342210.db2.gz MSWYMVSGXVJFLS-JENIJYKNSA-N 3 2 345.535 2.042 20 70 EEIDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000159500126 311342211 /nfs/dbraw/zinc/34/22/11/311342211.db2.gz MSWYMVSGXVJFLS-JENIJYKNSA-N 3 2 345.535 2.042 20 70 EEIDLP CC[N@@H+]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000159581437 529029708 /nfs/dbraw/zinc/02/97/08/529029708.db2.gz NKRHYKPHDUPTQF-UHFFFAOYSA-N 2 2 345.491 2.309 20 70 EEIDLP CC[N@H+]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000159581437 529029717 /nfs/dbraw/zinc/02/97/17/529029717.db2.gz NKRHYKPHDUPTQF-UHFFFAOYSA-N 2 2 345.491 2.309 20 70 EEIDLP C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161378634 539527571 /nfs/dbraw/zinc/52/75/71/539527571.db2.gz KARKMFDDCDERDM-AWEZNQCLSA-N 2 2 328.391 2.370 20 70 EEIDLP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161344792 539527074 /nfs/dbraw/zinc/52/70/74/539527074.db2.gz TZFKGHCMCZGLER-UHFFFAOYSA-N 2 2 342.418 2.001 20 70 EEIDLP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159920983 534624736 /nfs/dbraw/zinc/62/47/36/534624736.db2.gz JWEOGTGLVHBWCC-KSZLIROESA-N 2 2 345.512 2.129 20 70 EEIDLP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161378482 539527171 /nfs/dbraw/zinc/52/71/71/539527171.db2.gz GIFNVANWQLESJQ-OAHLLOKOSA-N 2 2 340.427 2.239 20 70 EEIDLP O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161359125 539527305 /nfs/dbraw/zinc/52/73/05/539527305.db2.gz XXNLYSQXOOTOJQ-LJQANCHMSA-N 2 2 336.439 2.224 20 70 EEIDLP C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161329751 539527759 /nfs/dbraw/zinc/52/77/59/539527759.db2.gz SABZIBISDTYBOW-MRXNPFEDSA-N 2 2 336.439 2.181 20 70 EEIDLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161322764 539527148 /nfs/dbraw/zinc/52/71/48/539527148.db2.gz WOPNXMWBRXYIAN-KRWDZBQOSA-N 2 2 338.455 2.251 20 70 EEIDLP CCC[C@H](C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[NH+](C)C ZINC000161338623 463422101 /nfs/dbraw/zinc/42/21/01/463422101.db2.gz QAMCJMMCJLRYEI-MRXNPFEDSA-N 2 2 347.507 2.287 20 70 EEIDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C(N)=O)c2ccccc2)CC1 ZINC000159907384 225299677 /nfs/dbraw/zinc/29/96/77/225299677.db2.gz FDWQKFNXKLRMAB-BEFAXECRSA-N 2 2 338.455 2.423 20 70 EEIDLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161355852 539527437 /nfs/dbraw/zinc/52/74/37/539527437.db2.gz UFNZGCRYLFXWFT-QGZVFWFLSA-N 2 2 338.455 2.423 20 70 EEIDLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159650348 463297566 /nfs/dbraw/zinc/29/75/66/463297566.db2.gz OIWIAUDDIPEUCO-GOSISDBHSA-N 2 2 338.455 2.358 20 70 EEIDLP C[C@H](NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000161401617 539528291 /nfs/dbraw/zinc/52/82/91/539528291.db2.gz BSHUWWLHWGBWFV-AWEZNQCLSA-N 2 2 330.457 2.143 20 70 EEIDLP COCC[N@H+](C)CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000159377599 225205084 /nfs/dbraw/zinc/20/50/84/225205084.db2.gz PLOSRIOUKCPGMY-UHFFFAOYSA-N 2 2 339.911 2.472 20 70 EEIDLP COCC[N@@H+](C)CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000159377599 225205088 /nfs/dbraw/zinc/20/50/88/225205088.db2.gz PLOSRIOUKCPGMY-UHFFFAOYSA-N 2 2 339.911 2.472 20 70 EEIDLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161335050 539527268 /nfs/dbraw/zinc/52/72/68/539527268.db2.gz MBZGJSQAYFVPQP-IXDOHACOSA-N 2 2 330.476 2.382 20 70 EEIDLP CN(Cc1ccccc1F)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161361532 539527111 /nfs/dbraw/zinc/52/71/11/539527111.db2.gz TWVYAXPZLQRFPB-UHFFFAOYSA-N 2 2 342.418 2.001 20 70 EEIDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)c3ccc(C)cc3)C2)CC1 ZINC000159539824 206251656 /nfs/dbraw/zinc/25/16/56/206251656.db2.gz UTZQCEBOLJWUIH-LJQANCHMSA-N 2 2 329.488 2.280 20 70 EEIDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)c3ccc(C)cc3)C2)CC1 ZINC000159539824 206251658 /nfs/dbraw/zinc/25/16/58/206251658.db2.gz UTZQCEBOLJWUIH-LJQANCHMSA-N 2 2 329.488 2.280 20 70 EEIDLP CCC[C@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+](C)C ZINC000161416987 311365692 /nfs/dbraw/zinc/36/56/92/311365692.db2.gz KBCVAHRYBGNABH-QGZVFWFLSA-N 2 2 328.460 2.320 20 70 EEIDLP C[NH2+]C[C@@H]1CCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000161304521 463417868 /nfs/dbraw/zinc/41/78/68/463417868.db2.gz ISJJYTZRIGHXIP-HNNXBMFYSA-N 2 2 332.473 2.086 20 70 EEIDLP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000161289972 539525921 /nfs/dbraw/zinc/52/59/21/539525921.db2.gz SFEMRQMRIMJYTI-JFIYKMOQSA-N 2 2 330.476 2.145 20 70 EEIDLP Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161385760 539526745 /nfs/dbraw/zinc/52/67/45/539526745.db2.gz UHJAEYMBCZRTKS-QGZVFWFLSA-N 2 2 338.455 2.217 20 70 EEIDLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161335178 539527339 /nfs/dbraw/zinc/52/73/39/539527339.db2.gz MBZGJSQAYFVPQP-YESZJQIVSA-N 2 2 330.476 2.382 20 70 EEIDLP c1cc(C[NH2+]C2CCC3(CC2)OCCO3)cc(C[NH+]2CCOCC2)c1 ZINC000161024331 206323891 /nfs/dbraw/zinc/32/38/91/206323891.db2.gz CERHEEVRAVHFMA-UHFFFAOYSA-N 2 2 346.471 2.294 20 70 EEIDLP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161330478 539527367 /nfs/dbraw/zinc/52/73/67/539527367.db2.gz BBHIGCOEZRKXSM-INIZCTEOSA-N 2 2 330.476 2.289 20 70 EEIDLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161322884 539527467 /nfs/dbraw/zinc/52/74/67/539527467.db2.gz WOPNXMWBRXYIAN-QGZVFWFLSA-N 2 2 338.455 2.251 20 70 EEIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC1CC1 ZINC000160041617 276341701 /nfs/dbraw/zinc/34/17/01/276341701.db2.gz LCGGZUBKQJRPEC-HNNXBMFYSA-N 2 2 330.476 2.287 20 70 EEIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC1CC1 ZINC000160041617 276341703 /nfs/dbraw/zinc/34/17/03/276341703.db2.gz LCGGZUBKQJRPEC-HNNXBMFYSA-N 2 2 330.476 2.287 20 70 EEIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1cccc(Cl)c1 ZINC000161360752 539526905 /nfs/dbraw/zinc/52/69/05/539526905.db2.gz PSPTZFVKHMKAGD-UHFFFAOYSA-N 2 2 344.846 2.173 20 70 EEIDLP C[C@H](c1cccnc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159615801 206254243 /nfs/dbraw/zinc/25/42/43/206254243.db2.gz KEHKCLROSJQUIV-APWZRJJASA-N 2 2 340.471 2.494 20 70 EEIDLP C[C@H](c1cccnc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159615801 206254247 /nfs/dbraw/zinc/25/42/47/206254247.db2.gz KEHKCLROSJQUIV-APWZRJJASA-N 2 2 340.471 2.494 20 70 EEIDLP C[C@@H](c1cccnc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159615700 225250098 /nfs/dbraw/zinc/25/00/98/225250098.db2.gz KEHKCLROSJQUIV-LPHOPBHVSA-N 2 2 340.471 2.494 20 70 EEIDLP C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159615700 225250100 /nfs/dbraw/zinc/25/01/00/225250100.db2.gz KEHKCLROSJQUIV-LPHOPBHVSA-N 2 2 340.471 2.494 20 70 EEIDLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cn2c1 ZINC000160776787 463369606 /nfs/dbraw/zinc/36/96/06/463369606.db2.gz PGUSZGWTAQQSNN-UONOGXRCSA-N 2 2 332.473 2.262 20 70 EEIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1ccc(Cl)cc1 ZINC000161291799 539525939 /nfs/dbraw/zinc/52/59/39/539525939.db2.gz WZAJNTVFHXSYDK-UHFFFAOYSA-N 2 2 344.846 2.173 20 70 EEIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCC1=CCCCC1 ZINC000161311936 539526728 /nfs/dbraw/zinc/52/67/28/539526728.db2.gz PWYFNLIVLNNOFR-UHFFFAOYSA-N 2 2 328.460 2.210 20 70 EEIDLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161399056 539527207 /nfs/dbraw/zinc/52/72/07/539527207.db2.gz YAGDTXCTUWEOGB-IXDOHACOSA-N 2 2 330.476 2.097 20 70 EEIDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160460542 463341619 /nfs/dbraw/zinc/34/16/19/463341619.db2.gz MKXWWFJTMYDOJD-FUHIMQAGSA-N 3 2 331.504 2.337 20 70 EEIDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160460542 463341623 /nfs/dbraw/zinc/34/16/23/463341623.db2.gz MKXWWFJTMYDOJD-FUHIMQAGSA-N 3 2 331.504 2.337 20 70 EEIDLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161378745 539527197 /nfs/dbraw/zinc/52/71/97/539527197.db2.gz KARKMFDDCDERDM-CQSZACIVSA-N 2 2 328.391 2.370 20 70 EEIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCCNC1=O ZINC000160081286 528348231 /nfs/dbraw/zinc/34/82/31/528348231.db2.gz YLDCKPBSIMRNNJ-QGZVFWFLSA-N 2 2 330.476 2.289 20 70 EEIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCCNC1=O ZINC000160081286 528348235 /nfs/dbraw/zinc/34/82/35/528348235.db2.gz YLDCKPBSIMRNNJ-QGZVFWFLSA-N 2 2 330.476 2.289 20 70 EEIDLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000161289705 539525825 /nfs/dbraw/zinc/52/58/25/539525825.db2.gz SFEMRQMRIMJYTI-NUJGCVRESA-N 2 2 330.476 2.145 20 70 EEIDLP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161326569 539527401 /nfs/dbraw/zinc/52/74/01/539527401.db2.gz JHXMFMQQHOASKK-IRXDYDNUSA-N 2 2 330.476 2.383 20 70 EEIDLP CCN(C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000161302073 539526096 /nfs/dbraw/zinc/52/60/96/539526096.db2.gz CBNNQZUEUYWQHF-UHFFFAOYSA-N 2 2 330.476 2.385 20 70 EEIDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000159500375 311342083 /nfs/dbraw/zinc/34/20/83/311342083.db2.gz MSWYMVSGXVJFLS-YQVWRLOYSA-N 3 2 345.535 2.042 20 70 EEIDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000159500375 311342084 /nfs/dbraw/zinc/34/20/84/311342084.db2.gz MSWYMVSGXVJFLS-YQVWRLOYSA-N 3 2 345.535 2.042 20 70 EEIDLP CC[N@@H+]1CCCN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000159897795 529023828 /nfs/dbraw/zinc/02/38/28/529023828.db2.gz PQNHDFWRHAUBFF-UHFFFAOYSA-N 2 2 345.491 2.096 20 70 EEIDLP CC[N@H+]1CCCN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000159897795 529023829 /nfs/dbraw/zinc/02/38/29/529023829.db2.gz PQNHDFWRHAUBFF-UHFFFAOYSA-N 2 2 345.491 2.096 20 70 EEIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(Cl)cc1 ZINC000161299753 539526329 /nfs/dbraw/zinc/52/63/29/539526329.db2.gz AYAPJYCFSQJLEP-UHFFFAOYSA-N 2 2 330.819 2.496 20 70 EEIDLP COCC[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000160815762 463373470 /nfs/dbraw/zinc/37/34/70/463373470.db2.gz GIZQBMLPWBDVHU-UHFFFAOYSA-N 2 2 332.452 2.104 20 70 EEIDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000159399766 463284650 /nfs/dbraw/zinc/28/46/50/463284650.db2.gz ZIZMEEFMQTVXPH-SFHVURJKSA-N 2 2 338.455 2.149 20 70 EEIDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000159399766 463284655 /nfs/dbraw/zinc/28/46/55/463284655.db2.gz ZIZMEEFMQTVXPH-SFHVURJKSA-N 2 2 338.455 2.149 20 70 EEIDLP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159921119 534575061 /nfs/dbraw/zinc/57/50/61/534575061.db2.gz JWEOGTGLVHBWCC-FGTMMUONSA-N 2 2 345.512 2.129 20 70 EEIDLP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161338322 539526970 /nfs/dbraw/zinc/52/69/70/539526970.db2.gz STVOJHBCPDGMDN-HNNXBMFYSA-N 2 2 340.427 2.239 20 70 EEIDLP C[C@@H](NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000161401730 539528503 /nfs/dbraw/zinc/52/85/03/539528503.db2.gz BSHUWWLHWGBWFV-CQSZACIVSA-N 2 2 330.457 2.143 20 70 EEIDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160597314 311356359 /nfs/dbraw/zinc/35/63/59/311356359.db2.gz PHRXKEXZVJPSLA-UWVAXJGDSA-N 3 2 331.504 2.337 20 70 EEIDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160597314 311356360 /nfs/dbraw/zinc/35/63/60/311356360.db2.gz PHRXKEXZVJPSLA-UWVAXJGDSA-N 3 2 331.504 2.337 20 70 EEIDLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160836969 463374967 /nfs/dbraw/zinc/37/49/67/463374967.db2.gz ILUHUOICVASCCR-OAHLLOKOSA-N 2 2 331.464 2.247 20 70 EEIDLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160836969 463374968 /nfs/dbraw/zinc/37/49/68/463374968.db2.gz ILUHUOICVASCCR-OAHLLOKOSA-N 2 2 331.464 2.247 20 70 EEIDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000160338922 529149974 /nfs/dbraw/zinc/14/99/74/529149974.db2.gz QPUBFDAVLJIJKX-NQIIRXRSSA-N 3 2 344.547 2.396 20 70 EEIDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000160338922 529149975 /nfs/dbraw/zinc/14/99/75/529149975.db2.gz QPUBFDAVLJIJKX-NQIIRXRSSA-N 3 2 344.547 2.396 20 70 EEIDLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000160338922 529149976 /nfs/dbraw/zinc/14/99/76/529149976.db2.gz QPUBFDAVLJIJKX-NQIIRXRSSA-N 3 2 344.547 2.396 20 70 EEIDLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000160338922 529149977 /nfs/dbraw/zinc/14/99/77/529149977.db2.gz QPUBFDAVLJIJKX-NQIIRXRSSA-N 3 2 344.547 2.396 20 70 EEIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCc2ccccc21 ZINC000161289086 539526293 /nfs/dbraw/zinc/52/62/93/539526293.db2.gz SUSIIEJFIFOLBG-UHFFFAOYSA-N 2 2 336.439 2.183 20 70 EEIDLP CC(=O)NC1CCC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000161272257 311364307 /nfs/dbraw/zinc/36/43/07/311364307.db2.gz AVXZPGAVLLRQOI-UHFFFAOYSA-N 2 2 326.444 2.468 20 70 EEIDLP COc1ccc(OC)c(C[N@H+](CCO)CCC[NH+]2CCCCC2)c1 ZINC000161054431 463395018 /nfs/dbraw/zinc/39/50/18/463395018.db2.gz LDCKARAYCGCQLH-UHFFFAOYSA-N 2 2 336.476 2.374 20 70 EEIDLP COc1ccc(OC)c(C[N@@H+](CCO)CCC[NH+]2CCCCC2)c1 ZINC000161054431 463395026 /nfs/dbraw/zinc/39/50/26/463395026.db2.gz LDCKARAYCGCQLH-UHFFFAOYSA-N 2 2 336.476 2.374 20 70 EEIDLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161335307 539527353 /nfs/dbraw/zinc/52/73/53/539527353.db2.gz MBZGJSQAYFVPQP-BRWVUGGUSA-N 2 2 330.476 2.382 20 70 EEIDLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cn2c1 ZINC000160777067 463369080 /nfs/dbraw/zinc/36/90/80/463369080.db2.gz PGUSZGWTAQQSNN-ZIAGYGMSSA-N 2 2 332.473 2.262 20 70 EEIDLP Cc1cccn2cc(CCNC(=O)N(CC[NH+](C)C)C(C)C)[nH+]c12 ZINC000159372750 539516147 /nfs/dbraw/zinc/51/61/47/539516147.db2.gz UDQBEOCKKONTQI-UHFFFAOYSA-N 2 2 331.464 2.167 20 70 EEIDLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161338948 539527283 /nfs/dbraw/zinc/52/72/83/539527283.db2.gz KTHLZNHTOITAKJ-MRXNPFEDSA-N 2 2 330.476 2.383 20 70 EEIDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cnccn3)cc2)CC1 ZINC000160317399 463328577 /nfs/dbraw/zinc/32/85/77/463328577.db2.gz DDRKJZGLTQAWMA-QGZVFWFLSA-N 2 2 339.487 2.465 20 70 EEIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cnccn3)cc2)CC1 ZINC000160317399 463328588 /nfs/dbraw/zinc/32/85/88/463328588.db2.gz DDRKJZGLTQAWMA-QGZVFWFLSA-N 2 2 339.487 2.465 20 70 EEIDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160460287 463339516 /nfs/dbraw/zinc/33/95/16/463339516.db2.gz MKXWWFJTMYDOJD-UWVAXJGDSA-N 3 2 331.504 2.337 20 70 EEIDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160460287 463339521 /nfs/dbraw/zinc/33/95/21/463339521.db2.gz MKXWWFJTMYDOJD-UWVAXJGDSA-N 3 2 331.504 2.337 20 70 EEIDLP Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161385868 539526995 /nfs/dbraw/zinc/52/69/95/539526995.db2.gz UHJAEYMBCZRTKS-KRWDZBQOSA-N 2 2 338.455 2.217 20 70 EEIDLP COc1c(C)c[nH+]c(CN2CCC(C[NH+]3CCOCC3)CC2)c1C ZINC000160970193 463386812 /nfs/dbraw/zinc/38/68/12/463386812.db2.gz NDXQSZZNPGHZAO-UHFFFAOYSA-N 2 2 333.476 2.251 20 70 EEIDLP O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000159692134 463300059 /nfs/dbraw/zinc/30/00/59/463300059.db2.gz SBPMVUKDCFVQDN-ROUUACIJSA-N 2 2 342.487 2.385 20 70 EEIDLP O=C(CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000159692134 463300062 /nfs/dbraw/zinc/30/00/62/463300062.db2.gz SBPMVUKDCFVQDN-ROUUACIJSA-N 2 2 342.487 2.385 20 70 EEIDLP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160227978 463323869 /nfs/dbraw/zinc/32/38/69/463323869.db2.gz VSTSTZCTADURCM-AWEZNQCLSA-N 2 2 328.416 2.025 20 70 EEIDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160460411 463340596 /nfs/dbraw/zinc/34/05/96/463340596.db2.gz MKXWWFJTMYDOJD-MBOZVWFJSA-N 3 2 331.504 2.337 20 70 EEIDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160460411 463340599 /nfs/dbraw/zinc/34/05/99/463340599.db2.gz MKXWWFJTMYDOJD-MBOZVWFJSA-N 3 2 331.504 2.337 20 70 EEIDLP CC[NH+](CC)CCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159458158 463287080 /nfs/dbraw/zinc/28/70/80/463287080.db2.gz ZFMIPZYAZNPMLO-OAHLLOKOSA-N 2 2 338.521 2.478 20 70 EEIDLP