smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160673094 396075162 /nfs/dbraw/zinc/07/51/62/396075162.db2.gz FJQJVWJOVPSHKI-OAHLLOKOSA-N 2 2 310.442 0.444 20 70 DCIDLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160673094 396075166 /nfs/dbraw/zinc/07/51/66/396075166.db2.gz FJQJVWJOVPSHKI-OAHLLOKOSA-N 2 2 310.442 0.444 20 70 DCIDLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161390335 396076600 /nfs/dbraw/zinc/07/66/00/396076600.db2.gz CPUYJSFGQKDVCR-ZDUSSCGKSA-N 2 2 319.409 0.826 20 70 DCIDLP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000161044886 416011410 /nfs/dbraw/zinc/01/14/10/416011410.db2.gz YMMLUEKLLCVNBQ-LBPRGKRZSA-N 2 2 302.382 0.842 20 70 DCIDLP C[C@H](C(=O)NCCC[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160127559 526043995 /nfs/dbraw/zinc/04/39/95/526043995.db2.gz VVMBWTAKAUQSPU-CYBMUJFWSA-N 2 2 308.401 0.801 20 70 DCIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCO1 ZINC000161401353 545865680 /nfs/dbraw/zinc/86/56/80/545865680.db2.gz ROZLTDDNVLWPTO-OAHLLOKOSA-N 2 2 304.394 0.499 20 70 DCIDLP CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000159831024 279285906 /nfs/dbraw/zinc/28/59/06/279285906.db2.gz ROOLWZPFZYGWRX-HNNXBMFYSA-N 2 2 311.474 0.360 20 70 DCIDLP CC[N@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000159831024 279285907 /nfs/dbraw/zinc/28/59/07/279285907.db2.gz ROOLWZPFZYGWRX-HNNXBMFYSA-N 2 2 311.474 0.360 20 70 DCIDLP CC[N@@H+]1CCCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000159826248 285214430 /nfs/dbraw/zinc/21/44/30/285214430.db2.gz LHLKURPFWTYRKL-HUUCEWRRSA-N 2 2 312.458 0.833 20 70 DCIDLP CC[N@H+]1CCCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000159826248 285214433 /nfs/dbraw/zinc/21/44/33/285214433.db2.gz LHLKURPFWTYRKL-HUUCEWRRSA-N 2 2 312.458 0.833 20 70 DCIDLP CCCS(=O)(=O)NC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000161397198 158357493 /nfs/dbraw/zinc/35/74/93/158357493.db2.gz JVQYSNHONIFTOJ-UHFFFAOYSA-N 2 2 300.428 0.677 20 70 DCIDLP C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000159883500 291236986 /nfs/dbraw/zinc/23/69/86/291236986.db2.gz QBLKJKPSKQZPOT-JTQLQIEISA-N 2 2 311.348 0.883 20 70 DCIDLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000161409882 545865712 /nfs/dbraw/zinc/86/57/12/545865712.db2.gz WSCKFHAJIIXCJZ-HUUCEWRRSA-N 2 2 317.437 0.590 20 70 DCIDLP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H](C[NH3+])C1CC1 ZINC000160005226 158352702 /nfs/dbraw/zinc/35/27/02/158352702.db2.gz ONNHPOZYVHPHHW-CQSZACIVSA-N 2 2 313.423 0.382 20 70 DCIDLP C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H](C[NH3+])C1CC1 ZINC000160005226 158352704 /nfs/dbraw/zinc/35/27/04/158352704.db2.gz ONNHPOZYVHPHHW-CQSZACIVSA-N 2 2 313.423 0.382 20 70 DCIDLP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161460741 416012337 /nfs/dbraw/zinc/01/23/37/416012337.db2.gz WGZSNDBJZXWQOC-CYBMUJFWSA-N 2 2 306.410 0.361 20 70 DCIDLP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H]1C[NH+](C)CCO1 ZINC000160629881 545862348 /nfs/dbraw/zinc/86/23/48/545862348.db2.gz AYLYAAQQWXNJCR-YNEHKIRRSA-N 2 2 301.456 0.259 20 70 DCIDLP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@H]1C[NH+](C)CCO1 ZINC000160629881 545862355 /nfs/dbraw/zinc/86/23/55/545862355.db2.gz AYLYAAQQWXNJCR-YNEHKIRRSA-N 2 2 301.456 0.259 20 70 DCIDLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CCSC1)[C@H]1C[N@H+](C)CCO1 ZINC000160629881 545862359 /nfs/dbraw/zinc/86/23/59/545862359.db2.gz AYLYAAQQWXNJCR-YNEHKIRRSA-N 2 2 301.456 0.259 20 70 DCIDLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CCSC1)[C@H]1C[N@@H+](C)CCO1 ZINC000160629881 545862363 /nfs/dbraw/zinc/86/23/63/545862363.db2.gz AYLYAAQQWXNJCR-YNEHKIRRSA-N 2 2 301.456 0.259 20 70 DCIDLP COCC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161390656 416012227 /nfs/dbraw/zinc/01/22/27/416012227.db2.gz LWNKRQGRECPNDR-CQSZACIVSA-N 2 2 315.439 0.717 20 70 DCIDLP COCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161390656 416012233 /nfs/dbraw/zinc/01/22/33/416012233.db2.gz LWNKRQGRECPNDR-CQSZACIVSA-N 2 2 315.439 0.717 20 70 DCIDLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161330720 545866327 /nfs/dbraw/zinc/86/63/27/545866327.db2.gz PBQAJOSIZOLDFL-HOCLYGCPSA-N 2 2 318.421 0.887 20 70 DCIDLP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161460830 416013010 /nfs/dbraw/zinc/01/30/10/416013010.db2.gz WGZSNDBJZXWQOC-ZDUSSCGKSA-N 2 2 306.410 0.361 20 70 DCIDLP C[C@@H](C(=O)NCCC[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160127466 524182665 /nfs/dbraw/zinc/18/26/65/524182665.db2.gz VVMBWTAKAUQSPU-ZDUSSCGKSA-N 2 2 308.401 0.801 20 70 DCIDLP Cn1cc(C(=O)NCC2CC[NH+](CCn3cc[nH+]c3)CC2)cn1 ZINC000159841937 527162140 /nfs/dbraw/zinc/16/21/40/527162140.db2.gz OOVGMXXTXFUXDG-UHFFFAOYSA-N 2 2 316.409 0.759 20 70 DCIDLP CCCCNC(=O)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161375246 396076088 /nfs/dbraw/zinc/07/60/88/396076088.db2.gz SPSWSAVWCULCFS-UHFFFAOYSA-N 2 2 319.409 0.830 20 70 DCIDLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160833100 158356418 /nfs/dbraw/zinc/35/64/18/158356418.db2.gz LCYVQUIURPCXTB-HNNXBMFYSA-N 2 2 324.469 0.977 20 70 DCIDLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160833100 158356419 /nfs/dbraw/zinc/35/64/19/158356419.db2.gz LCYVQUIURPCXTB-HNNXBMFYSA-N 2 2 324.469 0.977 20 70 DCIDLP CC[N@@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000159831148 396071780 /nfs/dbraw/zinc/07/17/80/396071780.db2.gz ROOLWZPFZYGWRX-OAHLLOKOSA-N 2 2 311.474 0.360 20 70 DCIDLP CC[N@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000159831148 396071784 /nfs/dbraw/zinc/07/17/84/396071784.db2.gz ROOLWZPFZYGWRX-OAHLLOKOSA-N 2 2 311.474 0.360 20 70 DCIDLP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160005098 158352408 /nfs/dbraw/zinc/35/24/08/158352408.db2.gz ONNHPOZYVHPHHW-AWEZNQCLSA-N 2 2 313.423 0.382 20 70 DCIDLP C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160005098 158352413 /nfs/dbraw/zinc/35/24/13/158352413.db2.gz ONNHPOZYVHPHHW-AWEZNQCLSA-N 2 2 313.423 0.382 20 70 DCIDLP C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000159883620 291237031 /nfs/dbraw/zinc/23/70/31/291237031.db2.gz QBLKJKPSKQZPOT-SNVBAGLBSA-N 2 2 311.348 0.883 20 70 DCIDLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000160343589 291238376 /nfs/dbraw/zinc/23/83/76/291238376.db2.gz CLEGRJOHWABLMP-CQSZACIVSA-N 2 2 313.442 0.134 20 70 DCIDLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000160343589 291238377 /nfs/dbraw/zinc/23/83/77/291238377.db2.gz CLEGRJOHWABLMP-CQSZACIVSA-N 2 2 313.442 0.134 20 70 DCIDLP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000161044754 416011359 /nfs/dbraw/zinc/01/13/59/416011359.db2.gz YMMLUEKLLCVNBQ-GFCCVEGCSA-N 2 2 302.382 0.842 20 70 DCIDLP COc1ccc(OCC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000161082991 291240585 /nfs/dbraw/zinc/24/05/85/291240585.db2.gz BGFLVPFEZIBABL-UHFFFAOYSA-N 2 2 321.421 0.780 20 70 DCIDLP COc1ccc(OCC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000161082991 291240586 /nfs/dbraw/zinc/24/05/86/291240586.db2.gz BGFLVPFEZIBABL-UHFFFAOYSA-N 2 2 321.421 0.780 20 70 DCIDLP CCCNC(=O)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161328671 396076154 /nfs/dbraw/zinc/07/61/54/396076154.db2.gz GASYMANBRGTKGA-UHFFFAOYSA-N 2 2 305.382 0.439 20 70 DCIDLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000161439742 158357475 /nfs/dbraw/zinc/35/74/75/158357475.db2.gz HVSSCHLNJKUGJA-BFHYXJOUSA-N 2 2 306.410 0.671 20 70 DCIDLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161319315 396076424 /nfs/dbraw/zinc/07/64/24/396076424.db2.gz QXEDXYKKORCVNZ-GFCCVEGCSA-N 2 2 305.382 0.438 20 70 DCIDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)CC[N@@H+]1C ZINC000160954669 524923766 /nfs/dbraw/zinc/92/37/66/524923766.db2.gz OIKIVPZJMMPPQU-SWLSCSKDSA-N 2 2 318.421 0.474 20 70 DCIDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)CC[N@H+]1C ZINC000160954669 524923776 /nfs/dbraw/zinc/92/37/76/524923776.db2.gz OIKIVPZJMMPPQU-SWLSCSKDSA-N 2 2 318.421 0.474 20 70 DCIDLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160396146 527321392 /nfs/dbraw/zinc/32/13/92/527321392.db2.gz ZTCFBOVCMVAJPH-OAHLLOKOSA-N 2 2 316.405 0.840 20 70 DCIDLP CC[N@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000159527432 396068849 /nfs/dbraw/zinc/06/88/49/396068849.db2.gz FFZNALICOIVUHB-UHFFFAOYSA-N 2 2 312.458 0.834 20 70 DCIDLP CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161328289 396076171 /nfs/dbraw/zinc/07/61/71/396076171.db2.gz XJENUFVYSLSLJM-UHFFFAOYSA-N 2 2 319.409 0.685 20 70 DCIDLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161330834 545866153 /nfs/dbraw/zinc/86/61/53/545866153.db2.gz PBQAJOSIZOLDFL-ZBFHGGJFSA-N 2 2 318.421 0.887 20 70 DCIDLP C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000161391357 545866778 /nfs/dbraw/zinc/86/67/78/545866778.db2.gz PRSASGZAORLCRZ-GASCZTMLSA-N 2 2 318.421 0.839 20 70 DCIDLP CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161315863 396076144 /nfs/dbraw/zinc/07/61/44/396076144.db2.gz AUKBGGIBJWHSMJ-UHFFFAOYSA-N 2 2 319.409 0.828 20 70 DCIDLP COCC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000161390805 416012942 /nfs/dbraw/zinc/01/29/42/416012942.db2.gz LWNKRQGRECPNDR-AWEZNQCLSA-N 2 2 315.439 0.717 20 70 DCIDLP COCC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000161390805 416012949 /nfs/dbraw/zinc/01/29/49/416012949.db2.gz LWNKRQGRECPNDR-AWEZNQCLSA-N 2 2 315.439 0.717 20 70 DCIDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)CC[N@@H+]1C ZINC000160954787 525268939 /nfs/dbraw/zinc/26/89/39/525268939.db2.gz OIKIVPZJMMPPQU-DOMZBBRYSA-N 2 2 318.421 0.474 20 70 DCIDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)CC[N@H+]1C ZINC000160954787 525268948 /nfs/dbraw/zinc/26/89/48/525268948.db2.gz OIKIVPZJMMPPQU-DOMZBBRYSA-N 2 2 318.421 0.474 20 70 DCIDLP [NH3+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000161409738 545866683 /nfs/dbraw/zinc/86/66/83/545866683.db2.gz WSCKFHAJIIXCJZ-GJZGRUSLSA-N 2 2 317.437 0.590 20 70 DCIDLP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000161432250 158356933 /nfs/dbraw/zinc/35/69/33/158356933.db2.gz CUGBGBFWTAQYHU-CYBMUJFWSA-N 2 2 300.428 0.677 20 70 DCIDLP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000161432250 158356937 /nfs/dbraw/zinc/35/69/37/158356937.db2.gz CUGBGBFWTAQYHU-CYBMUJFWSA-N 2 2 300.428 0.677 20 70 DCIDLP COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000160102451 523603126 /nfs/dbraw/zinc/60/31/26/523603126.db2.gz AIGXQJRVTLVMEV-UHFFFAOYSA-N 2 2 321.425 0.583 20 70 DCIDLP COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000160102451 523603136 /nfs/dbraw/zinc/60/31/36/523603136.db2.gz AIGXQJRVTLVMEV-UHFFFAOYSA-N 2 2 321.425 0.583 20 70 DCIDLP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161331028 545866483 /nfs/dbraw/zinc/86/64/83/545866483.db2.gz PBQAJOSIZOLDFL-GDBMZVCRSA-N 2 2 318.421 0.887 20 70 DCIDLP [NH3+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000161409604 545866072 /nfs/dbraw/zinc/86/60/72/545866072.db2.gz WSCKFHAJIIXCJZ-LSDHHAIUSA-N 2 2 317.437 0.590 20 70 DCIDLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161319423 396075982 /nfs/dbraw/zinc/07/59/82/396075982.db2.gz QXEDXYKKORCVNZ-LBPRGKRZSA-N 2 2 305.382 0.438 20 70 DCIDLP CC[N@@H+]1CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000159826072 285211453 /nfs/dbraw/zinc/21/14/53/285211453.db2.gz LHLKURPFWTYRKL-LSDHHAIUSA-N 2 2 312.458 0.833 20 70 DCIDLP CC[N@H+]1CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000159826072 285211454 /nfs/dbraw/zinc/21/14/54/285211454.db2.gz LHLKURPFWTYRKL-LSDHHAIUSA-N 2 2 312.458 0.833 20 70 DCIDLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000160343456 291238390 /nfs/dbraw/zinc/23/83/90/291238390.db2.gz CLEGRJOHWABLMP-AWEZNQCLSA-N 2 2 313.442 0.134 20 70 DCIDLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000160343456 291238391 /nfs/dbraw/zinc/23/83/91/291238391.db2.gz CLEGRJOHWABLMP-AWEZNQCLSA-N 2 2 313.442 0.134 20 70 DCIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCO1 ZINC000161401223 545866403 /nfs/dbraw/zinc/86/64/03/545866403.db2.gz ROZLTDDNVLWPTO-HNNXBMFYSA-N 2 2 304.394 0.499 20 70 DCIDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)CC[N@@H+]1C ZINC000160954544 525442000 /nfs/dbraw/zinc/44/20/00/525442000.db2.gz OIKIVPZJMMPPQU-IUODEOHRSA-N 2 2 318.421 0.474 20 70 DCIDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)CC[N@H+]1C ZINC000160954544 525442010 /nfs/dbraw/zinc/44/20/10/525442010.db2.gz OIKIVPZJMMPPQU-IUODEOHRSA-N 2 2 318.421 0.474 20 70 DCIDLP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000160903063 527406318 /nfs/dbraw/zinc/40/63/18/527406318.db2.gz ZDNNHHQECALGAI-UHFFFAOYSA-N 2 2 309.414 0.555 20 70 DCIDLP C[C@H]1CN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000161391494 545865917 /nfs/dbraw/zinc/86/59/17/545865917.db2.gz PRSASGZAORLCRZ-GJZGRUSLSA-N 2 2 318.421 0.839 20 70 DCIDLP CC[NH+]1CCC(NC(=O)CSCC[NH+]2CCOCC2)CC1 ZINC000159962070 291236873 /nfs/dbraw/zinc/23/68/73/291236873.db2.gz JPOFZSNITZXJOA-UHFFFAOYSA-N 2 2 315.483 0.652 20 70 DCIDLP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000161432125 158357606 /nfs/dbraw/zinc/35/76/06/158357606.db2.gz CUGBGBFWTAQYHU-ZDUSSCGKSA-N 2 2 300.428 0.677 20 70 DCIDLP CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000161432125 158357608 /nfs/dbraw/zinc/35/76/08/158357608.db2.gz CUGBGBFWTAQYHU-ZDUSSCGKSA-N 2 2 300.428 0.677 20 70 DCIDLP C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000161391628 545866136 /nfs/dbraw/zinc/86/61/36/545866136.db2.gz PRSASGZAORLCRZ-HUUCEWRRSA-N 2 2 318.421 0.839 20 70 DCIDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)C[C@@H]21 ZINC000161127570 283003465 /nfs/dbraw/zinc/00/34/65/283003465.db2.gz UNADCCXVZAHEMK-VNQPRFMTSA-N 2 2 322.453 0.728 20 70 DCIDLP C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)C[C@@H]21 ZINC000161127570 283003474 /nfs/dbraw/zinc/00/34/74/283003474.db2.gz UNADCCXVZAHEMK-VNQPRFMTSA-N 2 2 322.453 0.728 20 70 DCIDLP C[NH+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C[C@@H]21 ZINC000161127570 283003478 /nfs/dbraw/zinc/00/34/78/283003478.db2.gz UNADCCXVZAHEMK-VNQPRFMTSA-N 2 2 322.453 0.728 20 70 DCIDLP C[NH+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C[C@@H]21 ZINC000161127570 283003483 /nfs/dbraw/zinc/00/34/83/283003483.db2.gz UNADCCXVZAHEMK-VNQPRFMTSA-N 2 2 322.453 0.728 20 70 DCIDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)CC[N@@H+]1C ZINC000160954870 524809975 /nfs/dbraw/zinc/80/99/75/524809975.db2.gz OIKIVPZJMMPPQU-WFASDCNBSA-N 2 2 318.421 0.474 20 70 DCIDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)CC[N@H+]1C ZINC000160954870 524809985 /nfs/dbraw/zinc/80/99/85/524809985.db2.gz OIKIVPZJMMPPQU-WFASDCNBSA-N 2 2 318.421 0.474 20 70 DCIDLP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161330926 545865968 /nfs/dbraw/zinc/86/59/68/545865968.db2.gz PBQAJOSIZOLDFL-GOEBONIOSA-N 2 2 318.421 0.887 20 70 DCIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NC(=O)NC1CC1 ZINC000161352253 396076231 /nfs/dbraw/zinc/07/62/31/396076231.db2.gz BJNKRZUROJZGOH-UHFFFAOYSA-N 2 2 303.366 0.192 20 70 DCIDLP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1C[NH+](C)CCO1 ZINC000160629645 545862211 /nfs/dbraw/zinc/86/22/11/545862211.db2.gz AYLYAAQQWXNJCR-XQQFMLRXSA-N 2 2 301.456 0.259 20 70 DCIDLP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@@H]1C[NH+](C)CCO1 ZINC000160629645 545862213 /nfs/dbraw/zinc/86/22/13/545862213.db2.gz AYLYAAQQWXNJCR-XQQFMLRXSA-N 2 2 301.456 0.259 20 70 DCIDLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CCSC1)[C@@H]1C[N@H+](C)CCO1 ZINC000160629645 545862220 /nfs/dbraw/zinc/86/22/20/545862220.db2.gz AYLYAAQQWXNJCR-XQQFMLRXSA-N 2 2 301.456 0.259 20 70 DCIDLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CCSC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000160629645 545862226 /nfs/dbraw/zinc/86/22/26/545862226.db2.gz AYLYAAQQWXNJCR-XQQFMLRXSA-N 2 2 301.456 0.259 20 70 DCIDLP [NH3+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000161410018 545865805 /nfs/dbraw/zinc/86/58/05/545865805.db2.gz WSCKFHAJIIXCJZ-CABCVRRESA-N 2 2 317.437 0.590 20 70 DCIDLP C[N@@H+]1CCO[C@H]2CN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)C[C@@H]21 ZINC000161127449 283032688 /nfs/dbraw/zinc/03/26/88/283032688.db2.gz UNADCCXVZAHEMK-KBMXLJTQSA-N 2 2 322.453 0.728 20 70 DCIDLP C[N@H+]1CCO[C@H]2CN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)C[C@@H]21 ZINC000161127449 283032692 /nfs/dbraw/zinc/03/26/92/283032692.db2.gz UNADCCXVZAHEMK-KBMXLJTQSA-N 2 2 322.453 0.728 20 70 DCIDLP C[NH+]1CCO[C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C[C@@H]21 ZINC000161127449 283032695 /nfs/dbraw/zinc/03/26/95/283032695.db2.gz UNADCCXVZAHEMK-KBMXLJTQSA-N 2 2 322.453 0.728 20 70 DCIDLP C[NH+]1CCO[C@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C[C@@H]21 ZINC000161127449 283032696 /nfs/dbraw/zinc/03/26/96/283032696.db2.gz UNADCCXVZAHEMK-KBMXLJTQSA-N 2 2 322.453 0.728 20 70 DCIDLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160673243 396075536 /nfs/dbraw/zinc/07/55/36/396075536.db2.gz FJQJVWJOVPSHKI-HNNXBMFYSA-N 2 2 310.442 0.444 20 70 DCIDLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160673243 396075538 /nfs/dbraw/zinc/07/55/38/396075538.db2.gz FJQJVWJOVPSHKI-HNNXBMFYSA-N 2 2 310.442 0.444 20 70 DCIDLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161390205 396076113 /nfs/dbraw/zinc/07/61/13/396076113.db2.gz CPUYJSFGQKDVCR-CYBMUJFWSA-N 2 2 319.409 0.826 20 70 DCIDLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160832974 158355606 /nfs/dbraw/zinc/35/56/06/158355606.db2.gz LCYVQUIURPCXTB-OAHLLOKOSA-N 2 2 324.469 0.977 20 70 DCIDLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160832974 158355609 /nfs/dbraw/zinc/35/56/09/158355609.db2.gz LCYVQUIURPCXTB-OAHLLOKOSA-N 2 2 324.469 0.977 20 70 DCIDLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](C)[NH+]1CCOCC1 ZINC000161440020 158357420 /nfs/dbraw/zinc/35/74/20/158357420.db2.gz HVSSCHLNJKUGJA-MELADBBJSA-N 2 2 306.410 0.671 20 70 DCIDLP