smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001278523685 862357196 /nfs/dbraw/zinc/35/71/96/862357196.db2.gz MJSTYIGYGDHGDQ-AOIWGVFYSA-N 2 2 351.491 0.880 10 30 FCEELP C=C(Br)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001278782418 862475674 /nfs/dbraw/zinc/47/56/74/862475674.db2.gz WWVWPOQIXSIRPV-UMVBOHGHSA-N 2 2 360.296 0.788 10 30 FCEELP C=C(Br)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278782418 862475683 /nfs/dbraw/zinc/47/56/83/862475683.db2.gz WWVWPOQIXSIRPV-UMVBOHGHSA-N 2 2 360.296 0.788 10 30 FCEELP C=C(Br)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001278782418 862475693 /nfs/dbraw/zinc/47/56/93/862475693.db2.gz WWVWPOQIXSIRPV-UMVBOHGHSA-N 2 2 360.296 0.788 10 30 FCEELP C=C(Br)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001278782418 862475703 /nfs/dbraw/zinc/47/57/03/862475703.db2.gz WWVWPOQIXSIRPV-UMVBOHGHSA-N 2 2 360.296 0.788 10 30 FCEELP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001267588284 859510427 /nfs/dbraw/zinc/51/04/27/859510427.db2.gz VTGSKGWMDDXMBO-KSZLIROESA-N 2 2 351.491 0.833 10 30 FCEELP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001267588284 859510437 /nfs/dbraw/zinc/51/04/37/859510437.db2.gz VTGSKGWMDDXMBO-KSZLIROESA-N 2 2 351.491 0.833 10 30 FCEELP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001280129643 863279242 /nfs/dbraw/zinc/27/92/42/863279242.db2.gz YOZQBIQAPWTWTR-KSZLIROESA-N 2 2 351.491 0.880 10 30 FCEELP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001330874731 872856464 /nfs/dbraw/zinc/85/64/64/872856464.db2.gz KVRDUEOZWHKVJS-KURKYZTESA-N 2 2 351.491 0.764 10 30 FCEELP C[NH+](C)C1CC[NH+](CCNc2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000301521533 488881026 /nfs/dbraw/zinc/88/10/26/488881026.db2.gz HBOAFBYHXXZGSN-UHFFFAOYSA-N 2 2 351.476 0.644 10 30 FCEELP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000329093940 488968717 /nfs/dbraw/zinc/96/87/17/488968717.db2.gz XLIZAWAGOJXQMM-SJORKVTESA-N 2 2 353.511 0.331 10 30 FCEELP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000329093940 488968720 /nfs/dbraw/zinc/96/87/20/488968720.db2.gz XLIZAWAGOJXQMM-SJORKVTESA-N 2 2 353.511 0.331 10 30 FCEELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420090866 489907995 /nfs/dbraw/zinc/90/79/95/489907995.db2.gz ALBOPLKFHQOLMK-YJBOKZPZSA-N 2 2 369.469 0.317 10 30 FCEELP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000596067769 491974354 /nfs/dbraw/zinc/97/43/54/491974354.db2.gz AKMVSZYLHPRGGN-VQTJNVASSA-N 2 2 359.518 0.599 10 30 FCEELP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000596067769 491974355 /nfs/dbraw/zinc/97/43/55/491974355.db2.gz AKMVSZYLHPRGGN-VQTJNVASSA-N 2 2 359.518 0.599 10 30 FCEELP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599284345 492154164 /nfs/dbraw/zinc/15/41/64/492154164.db2.gz RHXHJIDKTFEYKF-KRWDZBQOSA-N 2 2 366.506 0.544 10 30 FCEELP C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636706510 492666470 /nfs/dbraw/zinc/66/64/70/492666470.db2.gz AGLMJONRGKENIN-HNNXBMFYSA-N 2 2 350.507 0.990 10 30 FCEELP C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636706510 492666474 /nfs/dbraw/zinc/66/64/74/492666474.db2.gz AGLMJONRGKENIN-HNNXBMFYSA-N 2 2 350.507 0.990 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000130375580 526372929 /nfs/dbraw/zinc/37/29/29/526372929.db2.gz SKYPCCSLQDHLSV-CHWSQXEVSA-N 2 2 351.417 0.461 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000130375580 526372933 /nfs/dbraw/zinc/37/29/33/526372933.db2.gz SKYPCCSLQDHLSV-CHWSQXEVSA-N 2 2 351.417 0.461 10 30 FCEELP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262813027 526379366 /nfs/dbraw/zinc/37/93/66/526379366.db2.gz UXJLHJJKEHDWCQ-DOTOQJQBSA-N 3 2 355.552 0.406 10 30 FCEELP C[NH+]=C(NCc1scnc1C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261967064 526393622 /nfs/dbraw/zinc/39/36/22/526393622.db2.gz LRXSNWFKNKCABZ-UHFFFAOYSA-N 2 2 352.508 0.623 10 30 FCEELP C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001267175192 1172052682 /nfs/dbraw/zinc/05/26/82/1172052682.db2.gz QYMXUHXWSXMRCB-BRWVUGGUSA-N 2 2 371.485 0.634 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001267175192 1172052694 /nfs/dbraw/zinc/05/26/94/1172052694.db2.gz QYMXUHXWSXMRCB-BRWVUGGUSA-N 2 2 371.485 0.634 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001272033482 1191096808 /nfs/dbraw/zinc/09/68/08/1191096808.db2.gz JGHYIDFOBAHYNU-NCOADZHNSA-N 2 2 369.469 0.338 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001272033482 1191096812 /nfs/dbraw/zinc/09/68/12/1191096812.db2.gz JGHYIDFOBAHYNU-NCOADZHNSA-N 2 2 369.469 0.338 10 30 FCEELP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000088240455 1193761576 /nfs/dbraw/zinc/76/15/76/1193761576.db2.gz YFBYYFMBJNPEBA-AWEZNQCLSA-N 2 2 373.509 0.554 10 30 FCEELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)CC1 ZINC000734283379 1197747780 /nfs/dbraw/zinc/74/77/80/1197747780.db2.gz IVBSJOCSSIBWGK-YJBOKZPZSA-N 2 2 360.506 0.537 10 30 FCEELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)CC1 ZINC000734283379 1197747794 /nfs/dbraw/zinc/74/77/94/1197747794.db2.gz IVBSJOCSSIBWGK-YJBOKZPZSA-N 2 2 360.506 0.537 10 30 FCEELP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001488888721 1208558488 /nfs/dbraw/zinc/55/84/88/1208558488.db2.gz LFSUOFBHGGEIGH-ZWKOTPCHSA-N 2 2 371.485 0.552 10 30 FCEELP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001488888721 1208558494 /nfs/dbraw/zinc/55/84/94/1208558494.db2.gz LFSUOFBHGGEIGH-ZWKOTPCHSA-N 2 2 371.485 0.552 10 30 FCEELP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001488888721 1208558504 /nfs/dbraw/zinc/55/85/04/1208558504.db2.gz LFSUOFBHGGEIGH-ZWKOTPCHSA-N 2 2 371.485 0.552 10 30 FCEELP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001488888721 1208558514 /nfs/dbraw/zinc/55/85/14/1208558514.db2.gz LFSUOFBHGGEIGH-ZWKOTPCHSA-N 2 2 371.485 0.552 10 30 FCEELP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867970926 1210037642 /nfs/dbraw/zinc/03/76/42/1210037642.db2.gz KYUXZMDVFWDIMN-DLBZAZTESA-N 2 2 350.426 0.652 10 30 FCEELP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cnn(C)c1 ZINC001479501326 1263224845 /nfs/dbraw/zinc/22/48/45/1263224845.db2.gz DTJIVAXGQGYBRU-RYQLBKOJSA-N 2 2 366.469 0.787 10 30 FCEELP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001485818848 1263516714 /nfs/dbraw/zinc/51/67/14/1263516714.db2.gz ANPWLINCDQZGEA-QYZOEREBSA-N 2 2 363.502 0.716 10 30 FCEELP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001318816531 1263614686 /nfs/dbraw/zinc/61/46/86/1263614686.db2.gz LYDNRLIFCSCBLZ-OTWHNJEPSA-N 2 2 363.502 0.718 10 30 FCEELP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC2)C1=O ZINC001326890413 1265191945 /nfs/dbraw/zinc/19/19/45/1265191945.db2.gz YMVOECKYPBDKRM-OAGGEKHMSA-N 2 2 371.485 0.939 10 30 FCEELP C#CCN(C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC001335164933 1267379377 /nfs/dbraw/zinc/37/93/77/1267379377.db2.gz YGEVEPHWVLLNBW-OAHLLOKOSA-N 2 2 357.458 0.672 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001566049958 1269582137 /nfs/dbraw/zinc/58/21/37/1269582137.db2.gz XHANSLATUWKIQJ-YYIAUSFCSA-N 2 2 371.485 0.606 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001566049958 1269582144 /nfs/dbraw/zinc/58/21/44/1269582144.db2.gz XHANSLATUWKIQJ-YYIAUSFCSA-N 2 2 371.485 0.606 10 30 FCEELP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC2)C1=O ZINC001570108038 1269839706 /nfs/dbraw/zinc/83/97/06/1269839706.db2.gz IYQUYMDGXJUQMD-KFWWJZLASA-N 2 2 357.458 0.929 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCCC2)CC1 ZINC001588733735 1282674190 /nfs/dbraw/zinc/67/41/90/1282674190.db2.gz ZCDZOCONBLFVGI-UHFFFAOYSA-N 2 2 373.505 0.267 10 30 FCEELP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001707110017 1286448825 /nfs/dbraw/zinc/44/88/25/1286448825.db2.gz CRMJSBWNCUUORV-MANSERQUSA-N 2 2 363.502 0.764 10 30 FCEELP C=CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001707403504 1287134788 /nfs/dbraw/zinc/13/47/88/1287134788.db2.gz DEGAHIGUNYGWMF-BZUAXINKSA-N 2 2 359.474 0.749 10 30 FCEELP C=CCN1CC[C@@H]([N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001707403504 1287134790 /nfs/dbraw/zinc/13/47/90/1287134790.db2.gz DEGAHIGUNYGWMF-BZUAXINKSA-N 2 2 359.474 0.749 10 30 FCEELP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001733578726 1288619433 /nfs/dbraw/zinc/61/94/33/1288619433.db2.gz OWYFOOOTRWBVOT-NQNKBUKLSA-N 2 2 369.469 0.052 10 30 FCEELP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001733578726 1288619442 /nfs/dbraw/zinc/61/94/42/1288619442.db2.gz OWYFOOOTRWBVOT-NQNKBUKLSA-N 2 2 369.469 0.052 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)CC(=O)NCC#N)C(C)C)CC[N@@H+]1C ZINC001734547872 1288660009 /nfs/dbraw/zinc/66/00/09/1288660009.db2.gz PFBKKDPVHUDLHF-JKSUJKDBSA-N 2 2 351.495 0.525 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)CC(=O)NCC#N)C(C)C)CC[N@H+]1C ZINC001734547872 1288660013 /nfs/dbraw/zinc/66/00/13/1288660013.db2.gz PFBKKDPVHUDLHF-JKSUJKDBSA-N 2 2 351.495 0.525 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)N(CC[N@H+](C)CC(=O)NCC#N)C(C)C)CC[NH+]1C ZINC001734547872 1288660017 /nfs/dbraw/zinc/66/00/17/1288660017.db2.gz PFBKKDPVHUDLHF-JKSUJKDBSA-N 2 2 351.495 0.525 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)N(CC[N@@H+](C)CC(=O)NCC#N)C(C)C)CC[NH+]1C ZINC001734547872 1288660021 /nfs/dbraw/zinc/66/00/21/1288660021.db2.gz PFBKKDPVHUDLHF-JKSUJKDBSA-N 2 2 351.495 0.525 10 30 FCEELP C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@H](C)C2)CC1 ZINC001736370686 1289289200 /nfs/dbraw/zinc/28/92/00/1289289200.db2.gz SUBNULJJBSLMPK-SJLPKXTDSA-N 2 2 371.485 0.439 10 30 FCEELP C[NH+](C)CC#CCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001687889183 1293026372 /nfs/dbraw/zinc/02/63/72/1293026372.db2.gz OVGJLFFNWWQULW-OAHLLOKOSA-N 2 2 367.494 0.402 10 30 FCEELP C[NH+](C)CC#CCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001687889183 1293026378 /nfs/dbraw/zinc/02/63/78/1293026378.db2.gz OVGJLFFNWWQULW-OAHLLOKOSA-N 2 2 367.494 0.402 10 30 FCEELP C[NH+]1CCN(CCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1(C)C ZINC000328876003 488946223 /nfs/dbraw/zinc/94/62/23/488946223.db2.gz KAEKWCGPFIBTDC-JKSUJKDBSA-N 2 2 353.511 0.331 10 30 FCEELP C[NH+]1CCO[C@@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@@H]21 ZINC000328876003 488946224 /nfs/dbraw/zinc/94/62/24/488946224.db2.gz KAEKWCGPFIBTDC-JKSUJKDBSA-N 2 2 353.511 0.331 10 30 FCEELP C[NH+]1CCO[C@@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C[C@@H]21 ZINC000328876003 488946226 /nfs/dbraw/zinc/94/62/26/488946226.db2.gz KAEKWCGPFIBTDC-JKSUJKDBSA-N 2 2 353.511 0.331 10 30 FCEELP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCC[NH+]2CCOCC2)nc1 ZINC000572470337 491372658 /nfs/dbraw/zinc/37/26/58/491372658.db2.gz DAWZIOAPGKJRFF-UHFFFAOYSA-N 2 2 352.460 0.429 10 30 FCEELP C[NH+]1CCC(CNC(=O)N2CC[C@](O)(CC#N)C2)([NH+]2CCCCC2)CC1 ZINC000591968712 491826417 /nfs/dbraw/zinc/82/64/17/491826417.db2.gz CUYPEDKOZPQPIS-LJQANCHMSA-N 2 2 363.506 0.997 10 30 FCEELP N#CC1(C[C@H](O)C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000600723866 491878658 /nfs/dbraw/zinc/87/86/58/491878658.db2.gz PQAJFZWDMZFEGF-INIZCTEOSA-N 2 2 357.458 0.765 10 30 FCEELP CN(C(=O)C(=O)N1CC[C@](C)(C#N)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000595153212 491890595 /nfs/dbraw/zinc/89/05/95/491890595.db2.gz UBBITLKFFUJTOP-VQIMIIECSA-N 2 2 361.490 0.375 10 30 FCEELP CN(C(=O)C(=O)N1CC[C@](C)(C#N)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000595153212 491890597 /nfs/dbraw/zinc/89/05/97/491890597.db2.gz UBBITLKFFUJTOP-VQIMIIECSA-N 2 2 361.490 0.375 10 30 FCEELP C=CCNC(=O)C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634641398 492357881 /nfs/dbraw/zinc/35/78/81/492357881.db2.gz RXXRLZPQNIDUMW-OAQYLSRUSA-N 2 2 372.513 0.543 10 30 FCEELP C=CCNC(=O)C[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634641398 492357885 /nfs/dbraw/zinc/35/78/85/492357885.db2.gz RXXRLZPQNIDUMW-OAQYLSRUSA-N 2 2 372.513 0.543 10 30 FCEELP CN1CCCC[C@H]([NH+](C)CC#CC[N@@H+](C)[C@H]2CCCCN(C)C2=O)C1=O ZINC000634743353 492366724 /nfs/dbraw/zinc/36/67/24/492366724.db2.gz QYXBUSHWBPXNGJ-ROUUACIJSA-N 2 2 362.518 0.875 10 30 FCEELP 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C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C[C@@H]2C1 ZINC000193601482 529823510 /nfs/dbraw/zinc/82/35/10/529823510.db2.gz LWOXTTDFSONTOD-IXDOHACOSA-N 2 2 373.526 0.950 10 30 FCEELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C[C@@H]2C1 ZINC000193601482 529823512 /nfs/dbraw/zinc/82/35/12/529823512.db2.gz LWOXTTDFSONTOD-IXDOHACOSA-N 2 2 373.526 0.950 10 30 FCEELP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930705816 674050207 /nfs/dbraw/zinc/05/02/07/674050207.db2.gz KKEZICOPOZGKFY-SJORKVTESA-N 2 2 352.479 0.560 10 30 FCEELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328895501 488947634 /nfs/dbraw/zinc/94/76/34/488947634.db2.gz VGWDZJQKTIQIDD-ZACQAIPSSA-N 2 2 353.511 0.331 10 30 FCEELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328895501 488947637 /nfs/dbraw/zinc/94/76/37/488947637.db2.gz VGWDZJQKTIQIDD-ZACQAIPSSA-N 2 2 353.511 0.331 10 30 FCEELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420144800 489929723 /nfs/dbraw/zinc/92/97/23/489929723.db2.gz NVZRPGCEICUTAF-MAUKXSAKSA-N 2 2 369.469 0.317 10 30 FCEELP OC[C@@H]1C[NH+](CC#CC[N@@H+]2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC000463229278 490006197 /nfs/dbraw/zinc/00/61/97/490006197.db2.gz CDLINSGRUIZCNA-KBPBESRZSA-N 2 2 352.372 0.889 10 30 FCEELP OC[C@@H]1C[NH+](CC#CC[N@H+]2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC000463229278 490006201 /nfs/dbraw/zinc/00/62/01/490006201.db2.gz CDLINSGRUIZCNA-KBPBESRZSA-N 2 2 352.372 0.889 10 30 FCEELP O[C@]1(C(F)(F)F)CC[NH+](CC#CC[N@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000566015428 491412715 /nfs/dbraw/zinc/41/27/15/491412715.db2.gz WEFPXHCDAMZFBZ-TXEJJXNPSA-N 2 2 360.298 0.988 10 30 FCEELP O[C@]1(C(F)(F)F)CC[NH+](CC#CC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000566015428 491412717 /nfs/dbraw/zinc/41/27/17/491412717.db2.gz WEFPXHCDAMZFBZ-TXEJJXNPSA-N 2 2 360.298 0.988 10 30 FCEELP 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C[NH+]=C(NC[C@H]1C[N@H+](CC(C)C)CCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000179203579 526378207 /nfs/dbraw/zinc/37/82/07/526378207.db2.gz PPGXIVFYIZWAQQ-HNNXBMFYSA-N 2 2 374.551 0.428 10 30 FCEELP C[NH+]=C(NC[C@H]1C[N@@H+](CC(C)C)CCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000179203579 526378211 /nfs/dbraw/zinc/37/82/11/526378211.db2.gz PPGXIVFYIZWAQQ-HNNXBMFYSA-N 2 2 374.551 0.428 10 30 FCEELP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CCN(c2cccc[nH+]2)CC1 ZINC000261626495 526378264 /nfs/dbraw/zinc/37/82/64/526378264.db2.gz CKVBMNWYPPMLOC-KRWDZBQOSA-N 3 2 357.506 0.215 10 30 FCEELP C#CCC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000127325859 526727677 /nfs/dbraw/zinc/72/76/77/526727677.db2.gz ZNSCDXHECKBEBE-GOSISDBHSA-N 2 2 350.507 0.100 10 30 FCEELP C#CCC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000127325859 526727684 /nfs/dbraw/zinc/72/76/84/526727684.db2.gz ZNSCDXHECKBEBE-GOSISDBHSA-N 2 2 350.507 0.100 10 30 FCEELP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CCN(c2cccc[nH+]2)CC1 ZINC000261621755 528814602 /nfs/dbraw/zinc/81/46/02/528814602.db2.gz CAGLFZAFWWFZHU-SFHVURJKSA-N 3 2 371.533 0.605 10 30 FCEELP C#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001266376861 1168354821 /nfs/dbraw/zinc/35/48/21/1168354821.db2.gz KDGFGLRGNUZLMF-BFYDXBDKSA-N 2 2 369.469 0.244 10 30 FCEELP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCC1 ZINC001772514812 1168414969 /nfs/dbraw/zinc/41/49/69/1168414969.db2.gz CDNPCMMEUCZEHG-MSOLQXFVSA-N 2 2 363.502 0.908 10 30 FCEELP C#CCN(C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC[NH+](C)CC1 ZINC000910885542 1195857210 /nfs/dbraw/zinc/85/72/10/1195857210.db2.gz KXOBPRNSIXKSMG-GOSISDBHSA-N 2 2 370.453 0.617 10 30 FCEELP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC001489056164 1208616258 /nfs/dbraw/zinc/61/62/58/1208616258.db2.gz QCCITLQYDCTGHX-WBVHZDCISA-N 2 2 361.490 0.872 10 30 FCEELP C#CCN(C(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C)C1CC[NH+](C)CC1 ZINC000929803394 1211662270 /nfs/dbraw/zinc/66/22/70/1211662270.db2.gz WCPBXEYWNVHOBA-UHFFFAOYSA-N 2 2 372.469 0.879 10 30 FCEELP C#CC1(O)CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000931143124 1211742199 /nfs/dbraw/zinc/74/21/99/1211742199.db2.gz WKDVWCVRXCUNAK-UHFFFAOYSA-N 2 2 371.481 0.595 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001330662305 1266078997 /nfs/dbraw/zinc/07/89/97/1266078997.db2.gz MRRJHJUTFZBNMD-OXGONZEZSA-N 2 2 357.458 0.146 10 30 FCEELP C#CCN(C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC001336580808 1260177261 /nfs/dbraw/zinc/17/72/61/1260177261.db2.gz DZEJRYDODGMLCE-UHFFFAOYSA-N 2 2 357.458 0.672 10 30 FCEELP C#CCN(C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CC[NH+](C)CC1 ZINC001336580808 1260177264 /nfs/dbraw/zinc/17/72/64/1260177264.db2.gz DZEJRYDODGMLCE-UHFFFAOYSA-N 2 2 357.458 0.672 10 30 FCEELP C#CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001484758534 1263484783 /nfs/dbraw/zinc/48/47/83/1263484783.db2.gz GZIQGABALOIFBX-ARFHVFGLSA-N 2 2 359.474 0.442 10 30 FCEELP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001484758534 1263484788 /nfs/dbraw/zinc/48/47/88/1263484788.db2.gz GZIQGABALOIFBX-ARFHVFGLSA-N 2 2 359.474 0.442 10 30 FCEELP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001485256553 1263499006 /nfs/dbraw/zinc/49/90/06/1263499006.db2.gz SMBFZXYATYMDCI-MSOLQXFVSA-N 2 2 365.518 0.964 10 30 FCEELP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001506518104 1264326397 /nfs/dbraw/zinc/32/63/97/1264326397.db2.gz GFGPTHRQSRAWPO-HZPDHXFCSA-N 2 2 371.485 0.682 10 30 FCEELP C=CCO[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001324821600 1264707818 /nfs/dbraw/zinc/70/78/18/1264707818.db2.gz OBXDPNBNTVNFPQ-QGZVFWFLSA-N 2 2 366.506 0.274 10 30 FCEELP C=CCO[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001324821600 1264707820 /nfs/dbraw/zinc/70/78/20/1264707820.db2.gz OBXDPNBNTVNFPQ-QGZVFWFLSA-N 2 2 366.506 0.274 10 30 FCEELP C#CCN(C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C1CC[NH+](C)CC1 ZINC001332948986 1266511560 /nfs/dbraw/zinc/51/15/60/1266511560.db2.gz RPZYMMDWIVHNIF-LJQANCHMSA-N 2 2 368.481 0.845 10 30 FCEELP C#CCN(C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C1CC[NH+](C)CC1 ZINC001332948986 1266511571 /nfs/dbraw/zinc/51/15/71/1266511571.db2.gz RPZYMMDWIVHNIF-LJQANCHMSA-N 2 2 368.481 0.845 10 30 FCEELP CCO[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC#CCOC ZINC001565953932 1269530441 /nfs/dbraw/zinc/53/04/41/1269530441.db2.gz KYBGWVBTFZVDJF-JFIYKMOQSA-N 2 2 362.474 0.691 10 30 FCEELP CCO[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC#CCOC ZINC001565953932 1269530447 /nfs/dbraw/zinc/53/04/47/1269530447.db2.gz KYBGWVBTFZVDJF-JFIYKMOQSA-N 2 2 362.474 0.691 10 30 FCEELP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001570258209 1269857316 /nfs/dbraw/zinc/85/73/16/1269857316.db2.gz XARRTXVQSZWCKQ-MSOLQXFVSA-N 2 2 363.502 0.860 10 30 FCEELP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001713897937 1287306119 /nfs/dbraw/zinc/30/61/19/1287306119.db2.gz ODKNCYAUMBYYAT-GVDBMIGSSA-N 2 2 371.485 0.443 10 30 FCEELP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001713897937 1287306126 /nfs/dbraw/zinc/30/61/26/1287306126.db2.gz ODKNCYAUMBYYAT-GVDBMIGSSA-N 2 2 371.485 0.443 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001588732437 1282673833 /nfs/dbraw/zinc/67/38/33/1282673833.db2.gz AEJOAUJNUGHBSA-LJQANCHMSA-N 2 2 360.506 0.397 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001588732437 1282673842 /nfs/dbraw/zinc/67/38/42/1282673842.db2.gz AEJOAUJNUGHBSA-LJQANCHMSA-N 2 2 360.506 0.397 10 30 FCEELP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001707257419 1287109161 /nfs/dbraw/zinc/10/91/61/1287109161.db2.gz VQEDGFFHTBAUNF-KGLIPLIRSA-N 2 2 365.478 0.062 10 30 FCEELP 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CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CCN(c2cccc[nH+]2)CC1 ZINC000261621751 528812993 /nfs/dbraw/zinc/81/29/93/528812993.db2.gz CAGLFZAFWWFZHU-GOSISDBHSA-N 3 2 371.533 0.605 10 30 FCEELP CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000130450476 528815762 /nfs/dbraw/zinc/81/57/62/528815762.db2.gz AEWKPCBDEWFPSW-QAPCUYQASA-N 2 2 350.463 0.859 10 30 FCEELP C#CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481985037 1187565201 /nfs/dbraw/zinc/56/52/01/1187565201.db2.gz WITAYDGWPXNLCI-BRWVUGGUSA-N 2 2 371.485 0.491 10 30 FCEELP N#CCCCC[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000594437808 1196721128 /nfs/dbraw/zinc/72/11/28/1196721128.db2.gz KZEZPKPWFHBOOJ-INIZCTEOSA-N 2 2 372.473 0.648 10 30 FCEELP C#CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000806210305 1202714345 /nfs/dbraw/zinc/71/43/45/1202714345.db2.gz HFIKVQPHCQCBKA-INIZCTEOSA-N 2 2 360.502 0.676 10 30 FCEELP C#CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 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JTDQZOFNVURKLA-SFHVURJKSA-N 2 2 359.474 0.962 10 30 FCEELP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105281888 208195495 /nfs/dbraw/zinc/19/54/95/208195495.db2.gz JTDQZOFNVURKLA-SFHVURJKSA-N 2 2 359.474 0.962 10 30 FCEELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)C[NH+]1CCOCC1 ZINC000329607527 489019738 /nfs/dbraw/zinc/01/97/38/489019738.db2.gz MVMIFVWXOSQFPR-BRWVUGGUSA-N 2 2 354.495 0.664 10 30 FCEELP C(#CC[N@@H+]1CCO[C@@]2(CCCOC2)C1)C[NH+]1CCO[C@@]2(CCCOC2)C1 ZINC000375623021 489721718 /nfs/dbraw/zinc/72/17/18/489721718.db2.gz HTQANPLGPFWHLN-PMACEKPBSA-N 2 2 364.486 0.753 10 30 FCEELP C(#CC[N@H+]1CCO[C@@]2(CCCOC2)C1)C[NH+]1CCO[C@@]2(CCCOC2)C1 ZINC000375623021 489721722 /nfs/dbraw/zinc/72/17/22/489721722.db2.gz HTQANPLGPFWHLN-PMACEKPBSA-N 2 2 364.486 0.753 10 30 FCEELP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000483190364 490290793 /nfs/dbraw/zinc/29/07/93/490290793.db2.gz BJMMIYANPHGHJJ-UHFFFAOYSA-N 2 2 356.430 0.868 10 30 FCEELP 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351.491 0.310 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001488857903 1208553770 /nfs/dbraw/zinc/55/37/70/1208553770.db2.gz GJSKCDYHPICMDV-OXGONZEZSA-N 2 2 357.458 0.146 10 30 FCEELP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001488937934 1208577731 /nfs/dbraw/zinc/57/77/31/1208577731.db2.gz BTBUCBSCCBJYTB-HRCADAONSA-N 2 2 359.474 0.622 10 30 FCEELP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001488981319 1208597590 /nfs/dbraw/zinc/59/75/90/1208597590.db2.gz XFBYQLKVDVBODB-ZJPYXAASSA-N 2 2 366.469 0.865 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001489315265 1208760645 /nfs/dbraw/zinc/76/06/45/1208760645.db2.gz SPWTVIWXZOYTBR-RYRKJORJSA-N 2 2 350.507 0.988 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001489315265 1208760648 /nfs/dbraw/zinc/76/06/48/1208760648.db2.gz SPWTVIWXZOYTBR-RYRKJORJSA-N 2 2 350.507 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10 30 FCEELP C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001588871779 1282720814 /nfs/dbraw/zinc/72/08/14/1282720814.db2.gz PVJISLABZUPQNT-KRWDZBQOSA-N 2 2 360.506 0.910 10 30 FCEELP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001732311355 1288580959 /nfs/dbraw/zinc/58/09/59/1288580959.db2.gz NALFVSDJSHGYSL-MKXGPGLRSA-N 2 2 363.502 0.907 10 30 FCEELP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001733666152 1288624226 /nfs/dbraw/zinc/62/42/26/1288624226.db2.gz JOJCTQLDNGMRQC-BZUAXINKSA-N 2 2 359.474 0.654 10 30 FCEELP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001733688728 1288624865 /nfs/dbraw/zinc/62/48/65/1288624865.db2.gz SLVGWAHAIGQTBZ-MKXGPGLRSA-N 2 2 363.502 0.764 10 30 FCEELP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001739905935 1290434656 /nfs/dbraw/zinc/43/46/56/1290434656.db2.gz YNCSXXGQRRGKRZ-DOTOQJQBSA-N 2 2 371.485 0.699 10 30 FCEELP 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C=CCn1c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nnc1[C@@]1(C)C[C@H](O)C[NH+]1C ZINC001520568827 1265938390 /nfs/dbraw/zinc/93/83/90/1265938390.db2.gz ZVEIAESBZSUOHT-YYAJDYIMSA-N 2 2 360.506 0.906 10 30 FCEELP C=CCn1c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)nnc1[C@@]1(C)C[C@H](O)C[NH+]1C ZINC001520568827 1265938395 /nfs/dbraw/zinc/93/83/95/1265938395.db2.gz ZVEIAESBZSUOHT-YYAJDYIMSA-N 2 2 360.506 0.906 10 30 FCEELP C=CCn1c(N2CC[C@@H]3[C@H](CC[NH+]3C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001520568827 1265938400 /nfs/dbraw/zinc/93/84/00/1265938400.db2.gz ZVEIAESBZSUOHT-YYAJDYIMSA-N 2 2 360.506 0.906 10 30 FCEELP C=CCn1c(N2CC[C@@H]3[C@H](CC[NH+]3C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001520568827 1265938405 /nfs/dbraw/zinc/93/84/05/1265938405.db2.gz ZVEIAESBZSUOHT-YYAJDYIMSA-N 2 2 360.506 0.906 10 30 FCEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001335457758 1259669741 /nfs/dbraw/zinc/66/97/41/1259669741.db2.gz NUVJUOCMPBXDPM-INIZCTEOSA-N 2 2 371.547 0.675 10 30 FCEELP CCO[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC#CCOC ZINC001264536453 1260378683 /nfs/dbraw/zinc/37/86/83/1260378683.db2.gz YBAQZBUCEVCAAC-HZPDHXFCSA-N 2 2 362.474 0.790 10 30 FCEELP C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001265591351 1260415220 /nfs/dbraw/zinc/41/52/20/1260415220.db2.gz SPYLXAJWBZIIOH-ARFHVFGLSA-N 2 2 357.458 0.101 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001265591351 1260415224 /nfs/dbraw/zinc/41/52/24/1260415224.db2.gz SPYLXAJWBZIIOH-ARFHVFGLSA-N 2 2 357.458 0.101 10 30 FCEELP C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001265591352 1260415889 /nfs/dbraw/zinc/41/58/89/1260415889.db2.gz SPYLXAJWBZIIOH-BZUAXINKSA-N 2 2 357.458 0.101 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001265591352 1260415893 /nfs/dbraw/zinc/41/58/93/1260415893.db2.gz SPYLXAJWBZIIOH-BZUAXINKSA-N 2 2 357.458 0.101 10 30 FCEELP C#CCCCC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001284820368 1261790860 /nfs/dbraw/zinc/79/08/60/1261790860.db2.gz RAEJPCOCQAGTNA-QZTJIDSGSA-N 2 2 362.518 0.733 10 30 FCEELP C#CCCCC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001284820368 1261790863 /nfs/dbraw/zinc/79/08/63/1261790863.db2.gz RAEJPCOCQAGTNA-QZTJIDSGSA-N 2 2 362.518 0.733 10 30 FCEELP C#CC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284823371 1261791844 /nfs/dbraw/zinc/79/18/44/1261791844.db2.gz ZDQGRKLNTACCCW-BZUAXINKSA-N 2 2 357.458 0.623 10 30 FCEELP C#CC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284823371 1261791846 /nfs/dbraw/zinc/79/18/46/1261791846.db2.gz ZDQGRKLNTACCCW-BZUAXINKSA-N 2 2 357.458 0.623 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001300681679 1262994763 /nfs/dbraw/zinc/99/47/63/1262994763.db2.gz YMOJWYBKEDSFRH-MRXNPFEDSA-N 2 2 373.505 0.219 10 30 FCEELP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001316654662 1263401059 /nfs/dbraw/zinc/40/10/59/1263401059.db2.gz HYMJWWMWSVTQLU-ARFHVFGLSA-N 2 2 359.474 0.622 10 30 FCEELP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001317379191 1263508329 /nfs/dbraw/zinc/50/83/29/1263508329.db2.gz VDJLRSCBQDNRGS-OTWHNJEPSA-N 2 2 363.502 0.812 10 30 FCEELP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001317379191 1263508338 /nfs/dbraw/zinc/50/83/38/1263508338.db2.gz VDJLRSCBQDNRGS-OTWHNJEPSA-N 2 2 363.502 0.812 10 30 FCEELP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001317845143 1263525288 /nfs/dbraw/zinc/52/52/88/1263525288.db2.gz MHSKPFYNGBWBOS-QRVBRYPASA-N 2 2 363.502 0.670 10 30 FCEELP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001317845143 1263525292 /nfs/dbraw/zinc/52/52/92/1263525292.db2.gz MHSKPFYNGBWBOS-QRVBRYPASA-N 2 2 363.502 0.670 10 30 FCEELP C=CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001322997832 1264311471 /nfs/dbraw/zinc/31/14/71/1264311471.db2.gz KUASHHZTINPCLX-RDJZCZTQSA-N 2 2 364.490 0.075 10 30 FCEELP C=CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001322997832 1264311480 /nfs/dbraw/zinc/31/14/80/1264311480.db2.gz KUASHHZTINPCLX-RDJZCZTQSA-N 2 2 364.490 0.075 10 30 FCEELP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001569684341 1269796741 /nfs/dbraw/zinc/79/67/41/1269796741.db2.gz BCBCDMVVGGPIDH-CLCXKQKWSA-N 2 2 357.458 0.101 10 30 FCEELP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001571138774 1269925930 /nfs/dbraw/zinc/92/59/30/1269925930.db2.gz DVXIRZIAHNOFAF-TVFCKZIOSA-N 2 2 351.491 0.927 10 30 FCEELP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001717128929 1287407692 /nfs/dbraw/zinc/40/76/92/1287407692.db2.gz RPVBDJHWPWVMKP-HZPDHXFCSA-N 2 2 371.485 0.750 10 30 FCEELP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001717524167 1287428906 /nfs/dbraw/zinc/42/89/06/1287428906.db2.gz SURAJGCLSKEEBW-HUUCEWRRSA-N 2 2 357.458 0.671 10 30 FCEELP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001717524167 1287428912 /nfs/dbraw/zinc/42/89/12/1287428912.db2.gz SURAJGCLSKEEBW-HUUCEWRRSA-N 2 2 357.458 0.671 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001705638601 1286407906 /nfs/dbraw/zinc/40/79/06/1286407906.db2.gz QHEAJHLXHCCZFJ-QGZVFWFLSA-N 2 2 372.517 0.879 10 30 FCEELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001687888951 1293026709 /nfs/dbraw/zinc/02/67/09/1293026709.db2.gz HMOCGOFKGRDPHV-UHFFFAOYSA-N 2 2 351.495 0.137 10 30 FCEELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001687888951 1293026719 /nfs/dbraw/zinc/02/67/19/1293026719.db2.gz HMOCGOFKGRDPHV-UHFFFAOYSA-N 2 2 351.495 0.137 10 30 FCEELP CCc1nc2n(n1)C[C@H](NC(NCc1c[nH+]c(N(C)C)n1C)=[NH+]C)CC2 ZINC000262746038 529751190 /nfs/dbraw/zinc/75/11/90/529751190.db2.gz ALPBIWVYOIJCPH-GFCCVEGCSA-N 2 2 359.482 0.320 10 30 FCEELP CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262278529 229299730 /nfs/dbraw/zinc/29/97/30/229299730.db2.gz ILQPYWYOCGTHJT-INIZCTEOSA-N 2 2 351.495 0.369 10 30 FCEELP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000329058178 488964781 /nfs/dbraw/zinc/96/47/81/488964781.db2.gz TZTOZWMUTLVNHC-SJORKVTESA-N 2 2 353.511 0.331 10 30 FCEELP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000329058178 488964784 /nfs/dbraw/zinc/96/47/84/488964784.db2.gz TZTOZWMUTLVNHC-SJORKVTESA-N 2 2 353.511 0.331 10 30 FCEELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@H]21 ZINC000329099172 488969339 /nfs/dbraw/zinc/96/93/39/488969339.db2.gz YYWOSQJZTORJOV-ZJPYXAASSA-N 2 2 366.506 0.683 10 30 FCEELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@H]21 ZINC000329099172 488969343 /nfs/dbraw/zinc/96/93/43/488969343.db2.gz YYWOSQJZTORJOV-ZJPYXAASSA-N 2 2 366.506 0.683 10 30 FCEELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329504399 489010535 /nfs/dbraw/zinc/01/05/35/489010535.db2.gz AAIFQKBOJVYOHF-KZNAEPCWSA-N 2 2 367.538 0.721 10 30 FCEELP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329504399 489010536 /nfs/dbraw/zinc/01/05/36/489010536.db2.gz AAIFQKBOJVYOHF-KZNAEPCWSA-N 2 2 367.538 0.721 10 30 FCEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000597989363 492076375 /nfs/dbraw/zinc/07/63/75/492076375.db2.gz FSGZKEWNRAWQBC-UHFFFAOYSA-N 2 2 369.473 0.939 10 30 FCEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000597989363 492076378 /nfs/dbraw/zinc/07/63/78/492076378.db2.gz FSGZKEWNRAWQBC-UHFFFAOYSA-N 2 2 369.473 0.939 10 30 FCEELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000619595065 492270933 /nfs/dbraw/zinc/27/09/33/492270933.db2.gz JRCQNLFTGDEZCO-HNNXBMFYSA-N 2 2 359.478 0.777 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000261953284 526373207 /nfs/dbraw/zinc/37/32/07/526373207.db2.gz IBDDJGMGNQBNPL-DLBZAZTESA-N 2 2 365.522 0.663 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000261953284 526373212 /nfs/dbraw/zinc/37/32/12/526373212.db2.gz IBDDJGMGNQBNPL-DLBZAZTESA-N 2 2 365.522 0.663 10 30 FCEELP C[NH+]=C(NC[C@H]1CCC[N@H+]1CCOC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261987908 526377387 /nfs/dbraw/zinc/37/73/87/526377387.db2.gz QOAROKAUDLGJCB-CQSZACIVSA-N 2 2 360.524 0.182 10 30 FCEELP C[NH+]=C(NC[C@H]1CCC[N@@H+]1CCOC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261987908 526377395 /nfs/dbraw/zinc/37/73/95/526377395.db2.gz QOAROKAUDLGJCB-CQSZACIVSA-N 2 2 360.524 0.182 10 30 FCEELP C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000126967244 526387640 /nfs/dbraw/zinc/38/76/40/526387640.db2.gz GSKPTQCKNVNUPR-CYBMUJFWSA-N 2 2 374.411 0.921 10 30 FCEELP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000262830064 526388717 /nfs/dbraw/zinc/38/87/17/526388717.db2.gz ZPQKCVVFTXBNIZ-CYBMUJFWSA-N 2 2 373.509 0.881 10 30 FCEELP C=C(Br)CNC(=[NH+]C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261982673 526425682 /nfs/dbraw/zinc/42/56/82/526425682.db2.gz PHNJXGCKUNLAQD-UHFFFAOYSA-N 2 2 360.300 0.566 10 30 FCEELP CC[NH+]=C(NCC(C)(C)[NH+]1CCOCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261723109 528802206 /nfs/dbraw/zinc/80/22/06/528802206.db2.gz IQBKABOMHPBPNS-LJQANCHMSA-N 2 2 365.522 0.665 10 30 FCEELP C[NH+]1CCN(C(C)(C)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000591739290 546939128 /nfs/dbraw/zinc/93/91/28/546939128.db2.gz GFFDGKKEMXPISD-UHFFFAOYSA-N 2 2 364.515 0.948 10 30 FCEELP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267135461 1171867817 /nfs/dbraw/zinc/86/78/17/1171867817.db2.gz JWRVRUMAUMPHHJ-KURKYZTESA-N 2 2 367.490 0.000 10 30 FCEELP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001267749032 1182947008 /nfs/dbraw/zinc/94/70/08/1182947008.db2.gz HFPOGVZFGHWCDE-QRVBRYPASA-N 2 2 370.497 0.825 10 30 FCEELP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001267749032 1182947017 /nfs/dbraw/zinc/94/70/17/1182947017.db2.gz HFPOGVZFGHWCDE-QRVBRYPASA-N 2 2 370.497 0.825 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001267749032 1182947026 /nfs/dbraw/zinc/94/70/26/1182947026.db2.gz HFPOGVZFGHWCDE-QRVBRYPASA-N 2 2 370.497 0.825 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001267749032 1182947039 /nfs/dbraw/zinc/94/70/39/1182947039.db2.gz HFPOGVZFGHWCDE-QRVBRYPASA-N 2 2 370.497 0.825 10 30 FCEELP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001481936170 1187554972 /nfs/dbraw/zinc/55/49/72/1187554972.db2.gz MQCJKCVAHBOSIH-HBFSDRIKSA-N 2 2 363.502 0.764 10 30 FCEELP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001270248955 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C=CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001479421616 1263193770 /nfs/dbraw/zinc/19/37/70/1263193770.db2.gz QLFNJVUMAZCQCG-OTWHNJEPSA-N 2 2 370.497 0.967 10 30 FCEELP C=CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001479421616 1263193772 /nfs/dbraw/zinc/19/37/72/1263193772.db2.gz QLFNJVUMAZCQCG-OTWHNJEPSA-N 2 2 370.497 0.967 10 30 FCEELP C=CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001479421616 1263193775 /nfs/dbraw/zinc/19/37/75/1263193775.db2.gz QLFNJVUMAZCQCG-OTWHNJEPSA-N 2 2 370.497 0.967 10 30 FCEELP C=CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001479421616 1263193777 /nfs/dbraw/zinc/19/37/77/1263193777.db2.gz QLFNJVUMAZCQCG-OTWHNJEPSA-N 2 2 370.497 0.967 10 30 FCEELP C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CO2 ZINC001484796847 1263486821 /nfs/dbraw/zinc/48/68/21/1263486821.db2.gz PTCYHQUAROSRSM-YESZJQIVSA-N 2 2 351.491 0.879 10 30 FCEELP C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CO2 ZINC001484796847 1263486825 /nfs/dbraw/zinc/48/68/25/1263486825.db2.gz PTCYHQUAROSRSM-YESZJQIVSA-N 2 2 351.491 0.879 10 30 FCEELP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001316988034 1263498638 /nfs/dbraw/zinc/49/86/38/1263498638.db2.gz QENGCVHDAANXSX-OTWHNJEPSA-N 2 2 368.481 0.272 10 30 FCEELP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001316988034 1263498641 /nfs/dbraw/zinc/49/86/41/1263498641.db2.gz QENGCVHDAANXSX-OTWHNJEPSA-N 2 2 368.481 0.272 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001316988034 1263498644 /nfs/dbraw/zinc/49/86/44/1263498644.db2.gz QENGCVHDAANXSX-OTWHNJEPSA-N 2 2 368.481 0.272 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001316988034 1263498647 /nfs/dbraw/zinc/49/86/47/1263498647.db2.gz QENGCVHDAANXSX-OTWHNJEPSA-N 2 2 368.481 0.272 10 30 FCEELP C=CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001485664068 1263511183 /nfs/dbraw/zinc/51/11/83/1263511183.db2.gz OEAAXEKJDJHYII-HZPDHXFCSA-N 2 2 371.485 0.750 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001485664068 1263511193 /nfs/dbraw/zinc/51/11/93/1263511193.db2.gz OEAAXEKJDJHYII-HZPDHXFCSA-N 2 2 371.485 0.750 10 30 FCEELP C#CC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486485845 1263540526 /nfs/dbraw/zinc/54/05/26/1263540526.db2.gz SBIWUOHUIAEMSE-BRWVUGGUSA-N 2 2 371.485 0.634 10 30 FCEELP N#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001326522483 1265124999 /nfs/dbraw/zinc/12/49/99/1265124999.db2.gz VLHRDEAMNIBNKA-KBUPBQIOSA-N 2 2 358.446 0.418 10 30 FCEELP N#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001326522483 1265125006 /nfs/dbraw/zinc/12/50/06/1265125006.db2.gz VLHRDEAMNIBNKA-KBUPBQIOSA-N 2 2 358.446 0.418 10 30 FCEELP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001327593700 1265368601 /nfs/dbraw/zinc/36/86/01/1265368601.db2.gz ZHOXREUFEGLQTH-GPMSIDNRSA-N 2 2 360.458 0.117 10 30 FCEELP C=C[C@](C)(O)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595476 1269480625 /nfs/dbraw/zinc/48/06/25/1269480625.db2.gz OPRUYOUPTKIQQJ-IBGZPJMESA-N 2 2 366.506 0.010 10 30 FCEELP C=C[C@@](C)(O)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595477 1269480704 /nfs/dbraw/zinc/48/07/04/1269480704.db2.gz OPRUYOUPTKIQQJ-LJQANCHMSA-N 2 2 366.506 0.010 10 30 FCEELP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC001568457671 1269733184 /nfs/dbraw/zinc/73/31/84/1269733184.db2.gz QBJOKLQCRXEZTQ-SQNIBIBYSA-N 2 2 351.491 0.620 10 30 FCEELP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001715867360 1287363083 /nfs/dbraw/zinc/36/30/83/1287363083.db2.gz CFLZYCCSXSSDHW-BKBHSOPASA-N 2 2 357.458 0.573 10 30 FCEELP COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C#N ZINC001716089470 1287369840 /nfs/dbraw/zinc/36/98/40/1287369840.db2.gz GCYXPORGHRWUFF-ARFHVFGLSA-N 2 2 369.425 0.660 10 30 FCEELP COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C#N ZINC001716089470 1287369847 /nfs/dbraw/zinc/36/98/47/1287369847.db2.gz GCYXPORGHRWUFF-ARFHVFGLSA-N 2 2 369.425 0.660 10 30 FCEELP C=CCOCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001717025466 1287403181 /nfs/dbraw/zinc/40/31/81/1287403181.db2.gz IQHYGJTZWMRNAP-MDZRGWNJSA-N 2 2 362.474 0.669 10 30 FCEELP C=CCOCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001717025466 1287403186 /nfs/dbraw/zinc/40/31/86/1287403186.db2.gz IQHYGJTZWMRNAP-MDZRGWNJSA-N 2 2 362.474 0.669 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001588871780 1282721620 /nfs/dbraw/zinc/72/16/20/1282721620.db2.gz PVJISLABZUPQNT-QGZVFWFLSA-N 2 2 360.506 0.910 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001722437942 1288414935 /nfs/dbraw/zinc/41/49/35/1288414935.db2.gz RGPHAMZTZSEPNA-IBGZPJMESA-N 2 2 360.506 0.298 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001722437942 1288414939 /nfs/dbraw/zinc/41/49/39/1288414939.db2.gz RGPHAMZTZSEPNA-IBGZPJMESA-N 2 2 360.506 0.298 10 30 FCEELP N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1F ZINC001732643472 1288587085 /nfs/dbraw/zinc/58/70/85/1288587085.db2.gz GNHUNKBUMMFRIN-RBSFLKMASA-N 2 2 357.389 0.791 10 30 FCEELP N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1F ZINC001732643472 1288587088 /nfs/dbraw/zinc/58/70/88/1288587088.db2.gz GNHUNKBUMMFRIN-RBSFLKMASA-N 2 2 357.389 0.791 10 30 FCEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCO1 ZINC001733741337 1288627757 /nfs/dbraw/zinc/62/77/57/1288627757.db2.gz XNPRKKLFRBWLTL-KURKYZTESA-N 2 2 367.490 0.259 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)CC2 ZINC001700106582 1289583513 /nfs/dbraw/zinc/58/35/13/1289583513.db2.gz PFPSSJZRHLPWSZ-HUUCEWRRSA-N 2 2 370.457 0.088 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001656976268 1291585725 /nfs/dbraw/zinc/58/57/25/1291585725.db2.gz XDVKMDWBRAVYFF-ZBFHGGJFSA-N 2 2 366.425 0.209 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001656976268 1291585731 /nfs/dbraw/zinc/58/57/31/1291585731.db2.gz XDVKMDWBRAVYFF-ZBFHGGJFSA-N 2 2 366.425 0.209 10 30 FCEELP C#CCNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001667284043 1291933418 /nfs/dbraw/zinc/93/34/18/1291933418.db2.gz BTZFKZAQPCRMBC-GVDBMIGSSA-N 2 2 371.485 0.634 10 30 FCEELP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001264150313 859329358 /nfs/dbraw/zinc/32/93/58/859329358.db2.gz BRHJTNLLWUDVHC-IXDOHACOSA-N 2 2 350.507 0.988 10 30 FCEELP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001264150313 859329361 /nfs/dbraw/zinc/32/93/61/859329361.db2.gz BRHJTNLLWUDVHC-IXDOHACOSA-N 2 2 350.507 0.988 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001264150313 859329364 /nfs/dbraw/zinc/32/93/64/859329364.db2.gz BRHJTNLLWUDVHC-IXDOHACOSA-N 2 2 350.507 0.988 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001264150313 859329367 /nfs/dbraw/zinc/32/93/67/859329367.db2.gz BRHJTNLLWUDVHC-IXDOHACOSA-N 2 2 350.507 0.988 10 30 FCEELP CC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000072938323 488383491 /nfs/dbraw/zinc/38/34/91/488383491.db2.gz RYLIFXQDEWDXIE-UHFFFAOYSA-N 2 2 355.486 0.840 10 30 FCEELP C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182581187 488388678 /nfs/dbraw/zinc/38/86/78/488388678.db2.gz WTGKPHLWAIZWKF-PMRDEQMMSA-N 2 2 363.506 0.630 10 30 FCEELP C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182581187 488388681 /nfs/dbraw/zinc/38/86/81/488388681.db2.gz WTGKPHLWAIZWKF-PMRDEQMMSA-N 2 2 363.506 0.630 10 30 FCEELP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182581187 488388684 /nfs/dbraw/zinc/38/86/84/488388684.db2.gz WTGKPHLWAIZWKF-PMRDEQMMSA-N 2 2 363.506 0.630 10 30 FCEELP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182581187 488388686 /nfs/dbraw/zinc/38/86/86/488388686.db2.gz WTGKPHLWAIZWKF-PMRDEQMMSA-N 2 2 363.506 0.630 10 30 FCEELP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CCC[NH+]([C@@H](C)C(=O)NCC#C)C2)C1 ZINC000289506927 489072668 /nfs/dbraw/zinc/07/26/68/489072668.db2.gz QNTNXYDYRXKCSH-LVCYWYKZSA-N 2 2 372.513 0.440 10 30 FCEELP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH+]([C@@H](C)C(=O)NCC#C)C2)C1 ZINC000289506927 489072669 /nfs/dbraw/zinc/07/26/69/489072669.db2.gz QNTNXYDYRXKCSH-LVCYWYKZSA-N 2 2 372.513 0.440 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CCC[N@@H+]([C@@H](C)C(=O)NCC#C)C2)C1 ZINC000289506927 489072670 /nfs/dbraw/zinc/07/26/70/489072670.db2.gz QNTNXYDYRXKCSH-LVCYWYKZSA-N 2 2 372.513 0.440 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CCC[N@H+]([C@@H](C)C(=O)NCC#C)C2)C1 ZINC000289506927 489072672 /nfs/dbraw/zinc/07/26/72/489072672.db2.gz QNTNXYDYRXKCSH-LVCYWYKZSA-N 2 2 372.513 0.440 10 30 FCEELP C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000367387567 489206499 /nfs/dbraw/zinc/20/64/99/489206499.db2.gz GIWMFDUGMDYBNN-UHFFFAOYSA-N 2 2 357.458 0.041 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000367387567 489206503 /nfs/dbraw/zinc/20/65/03/489206503.db2.gz GIWMFDUGMDYBNN-UHFFFAOYSA-N 2 2 357.458 0.041 10 30 FCEELP N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)n2c1 ZINC000369485581 489244186 /nfs/dbraw/zinc/24/41/86/489244186.db2.gz IMQJNXUXQAFIRL-QGZVFWFLSA-N 2 2 354.458 0.702 10 30 FCEELP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000286455873 489392496 /nfs/dbraw/zinc/39/24/96/489392496.db2.gz HUYHBRSSSVHVIJ-UHFFFAOYSA-N 2 2 372.473 0.200 10 30 FCEELP N#Cc1ccncc1N1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000555650808 491262278 /nfs/dbraw/zinc/26/22/78/491262278.db2.gz UPAZOBQKPGGCCH-UHFFFAOYSA-N 2 2 368.485 0.818 10 30 FCEELP CCC(=O)N1CCC[NH+](CC#CC[N@H+]2CCCN(C(=O)CC)CC2)CC1 ZINC000375329069 489713249 /nfs/dbraw/zinc/71/32/49/489713249.db2.gz XTWVAACPIZEUME-UHFFFAOYSA-N 2 2 362.518 0.878 10 30 FCEELP CCC(=O)N1CCC[NH+](CC#CC[N@@H+]2CCCN(C(=O)CC)CC2)CC1 ZINC000375329069 489713254 /nfs/dbraw/zinc/71/32/54/489713254.db2.gz XTWVAACPIZEUME-UHFFFAOYSA-N 2 2 362.518 0.878 10 30 FCEELP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000543042336 490919697 /nfs/dbraw/zinc/91/96/97/490919697.db2.gz UYIJMONBBIRRGX-MRXNPFEDSA-N 2 2 374.489 0.861 10 30 FCEELP O[C@]1(C(F)(F)F)CC[NH+](CC#CC[N@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000566015429 491412435 /nfs/dbraw/zinc/41/24/35/491412435.db2.gz WEFPXHCDAMZFBZ-VXGBXAGGSA-N 2 2 360.298 0.988 10 30 FCEELP O[C@]1(C(F)(F)F)CC[NH+](CC#CC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000566015429 491412436 /nfs/dbraw/zinc/41/24/36/491412436.db2.gz WEFPXHCDAMZFBZ-VXGBXAGGSA-N 2 2 360.298 0.988 10 30 FCEELP N#CC1(C[C@@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CCOCC1 ZINC000599284187 492154390 /nfs/dbraw/zinc/15/43/90/492154390.db2.gz NJGTZCYLHZUDLX-QGZVFWFLSA-N 2 2 364.490 0.298 10 30 FCEELP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261682550 526356328 /nfs/dbraw/zinc/35/63/28/526356328.db2.gz DFFDIHIQVKUSLM-SFHVURJKSA-N 2 2 351.495 0.275 10 30 FCEELP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261682550 526356336 /nfs/dbraw/zinc/35/63/36/526356336.db2.gz DFFDIHIQVKUSLM-SFHVURJKSA-N 2 2 351.495 0.275 10 30 FCEELP C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000126967013 526387554 /nfs/dbraw/zinc/38/75/54/526387554.db2.gz GSKPTQCKNVNUPR-ZDUSSCGKSA-N 2 2 374.411 0.921 10 30 FCEELP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCc2nc(COC)nn2C1 ZINC000261980198 526388148 /nfs/dbraw/zinc/38/81/48/526388148.db2.gz OSKJACFFZYOJGQ-ZDUSSCGKSA-N 2 2 372.477 0.637 10 30 FCEELP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(C(=O)C(C)C)CC1 ZINC000262782772 528806436 /nfs/dbraw/zinc/80/64/36/528806436.db2.gz LKWFXHNZXRYULI-UHFFFAOYSA-N 2 2 355.552 0.801 10 30 FCEELP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000876744210 672976567 /nfs/dbraw/zinc/97/65/67/672976567.db2.gz AFKCHBGRYPMQAA-AWEZNQCLSA-N 2 2 365.865 0.706 10 30 FCEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483650862 1196834687 /nfs/dbraw/zinc/83/46/87/1196834687.db2.gz JBIZJQIICBOEMS-BRWVUGGUSA-N 2 2 350.507 0.942 10 30 FCEELP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483650862 1196834688 /nfs/dbraw/zinc/83/46/88/1196834688.db2.gz JBIZJQIICBOEMS-BRWVUGGUSA-N 2 2 350.507 0.942 10 30 FCEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483650862 1196834689 /nfs/dbraw/zinc/83/46/89/1196834689.db2.gz JBIZJQIICBOEMS-BRWVUGGUSA-N 2 2 350.507 0.942 10 30 FCEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483650862 1196834692 /nfs/dbraw/zinc/83/46/92/1196834692.db2.gz JBIZJQIICBOEMS-BRWVUGGUSA-N 2 2 350.507 0.942 10 30 FCEELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)CC1 ZINC000734283376 1197747209 /nfs/dbraw/zinc/74/72/09/1197747209.db2.gz IVBSJOCSSIBWGK-QAPCUYQASA-N 2 2 360.506 0.537 10 30 FCEELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)CC1 ZINC000734283376 1197747217 /nfs/dbraw/zinc/74/72/17/1197747217.db2.gz IVBSJOCSSIBWGK-QAPCUYQASA-N 2 2 360.506 0.537 10 30 FCEELP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C)[NH+]1CCCCC1 ZINC001489312267 1208785865 /nfs/dbraw/zinc/78/58/65/1208785865.db2.gz YGCFNMSECGNSKW-RYRKJORJSA-N 2 2 363.506 0.716 10 30 FCEELP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C)[NH+]1CCCCC1 ZINC001489312267 1208785868 /nfs/dbraw/zinc/78/58/68/1208785868.db2.gz YGCFNMSECGNSKW-RYRKJORJSA-N 2 2 363.506 0.716 10 30 FCEELP O=C1CCC2=C(CC[NH+](CC#CC[N@H+]3CCC4=C(CCC(=O)N4)C3)C2)N1 ZINC000852298318 1209542446 /nfs/dbraw/zinc/54/24/46/1209542446.db2.gz YLEHIZBPMIMBGN-UHFFFAOYSA-N 2 2 354.454 0.729 10 30 FCEELP O=C1CCC2=C(CC[NH+](CC#CC[N@@H+]3CCC4=C(CCC(=O)N4)C3)C2)N1 ZINC000852298318 1209542458 /nfs/dbraw/zinc/54/24/58/1209542458.db2.gz YLEHIZBPMIMBGN-UHFFFAOYSA-N 2 2 354.454 0.729 10 30 FCEELP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1=O ZINC001277178274 1225862446 /nfs/dbraw/zinc/86/24/46/1225862446.db2.gz UZSBFMDYWZPCQO-RBSFLKMASA-N 2 2 357.458 0.549 10 30 FCEELP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001491173529 1220090695 /nfs/dbraw/zinc/09/06/95/1220090695.db2.gz RCFHSEATWDCCEE-BZUAXINKSA-N 2 2 357.458 0.101 10 30 FCEELP C#CCN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CC[NH+](C)CC1 ZINC001119752634 1221963922 /nfs/dbraw/zinc/96/39/22/1221963922.db2.gz GTYLTYZVIZBQMW-UHFFFAOYSA-N 2 2 371.485 0.434 10 30 FCEELP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001123646367 1222346800 /nfs/dbraw/zinc/34/68/00/1222346800.db2.gz QCKYNFWJCKFOJM-RCCFBDPRSA-N 2 2 360.502 0.391 10 30 FCEELP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001123646367 1222346804 /nfs/dbraw/zinc/34/68/04/1222346804.db2.gz QCKYNFWJCKFOJM-RCCFBDPRSA-N 2 2 360.502 0.391 10 30 FCEELP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[NH+]3C2)CC1 ZINC001123646367 1222346810 /nfs/dbraw/zinc/34/68/10/1222346810.db2.gz QCKYNFWJCKFOJM-RCCFBDPRSA-N 2 2 360.502 0.391 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[NH+]3C2)CC1 ZINC001123646367 1222346815 /nfs/dbraw/zinc/34/68/15/1222346815.db2.gz QCKYNFWJCKFOJM-RCCFBDPRSA-N 2 2 360.502 0.391 10 30 FCEELP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC001329750331 1265829780 /nfs/dbraw/zinc/82/97/80/1265829780.db2.gz OFEORLMTGFRBLI-QYZOEREBSA-N 2 2 365.518 0.962 10 30 FCEELP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001285740153 1261872205 /nfs/dbraw/zinc/87/22/05/1261872205.db2.gz ZCRFEGLZGFOODG-USXIJHARSA-N 2 2 371.485 0.490 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001286479092 1261936200 /nfs/dbraw/zinc/93/62/00/1261936200.db2.gz JZEOBBHNFDCNPI-LJQANCHMSA-N 2 2 358.490 0.367 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001286479092 1261936210 /nfs/dbraw/zinc/93/62/10/1261936210.db2.gz JZEOBBHNFDCNPI-LJQANCHMSA-N 2 2 358.490 0.367 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001286481903 1261938305 /nfs/dbraw/zinc/93/83/05/1261938305.db2.gz KGBCAYDGAUBRSV-KRWDZBQOSA-N 2 2 367.501 0.969 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001300681678 1262994463 /nfs/dbraw/zinc/99/44/63/1262994463.db2.gz YMOJWYBKEDSFRH-INIZCTEOSA-N 2 2 373.505 0.219 10 30 FCEELP C#CCNC(=O)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001484813606 1263486568 /nfs/dbraw/zinc/48/65/68/1263486568.db2.gz SYIHUZLUSVNEFE-HUUCEWRRSA-N 2 2 357.458 0.623 10 30 FCEELP C#CCNC(=O)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001484813606 1263486574 /nfs/dbraw/zinc/48/65/74/1263486574.db2.gz SYIHUZLUSVNEFE-HUUCEWRRSA-N 2 2 357.458 0.623 10 30 FCEELP C#CCNC(=O)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001502508269 1264176439 /nfs/dbraw/zinc/17/64/39/1264176439.db2.gz PKATXNSSKRSGMU-HZPDHXFCSA-N 2 2 371.485 0.634 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001324335532 1264622142 /nfs/dbraw/zinc/62/21/42/1264622142.db2.gz QRPGGQOPLLLVSA-BZUAXINKSA-N 2 2 371.485 0.632 10 30 FCEELP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001324420371 1264640869 /nfs/dbraw/zinc/64/08/69/1264640869.db2.gz RXHUMRSNYIQFMA-USXIJHARSA-N 2 2 371.485 0.584 10 30 FCEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001344126587 1270101189 /nfs/dbraw/zinc/10/11/89/1270101189.db2.gz XJUFETHAWNTUCN-BDXSIMOUSA-N 2 2 362.518 0.968 10 30 FCEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001344126587 1270101192 /nfs/dbraw/zinc/10/11/92/1270101192.db2.gz XJUFETHAWNTUCN-BDXSIMOUSA-N 2 2 362.518 0.968 10 30 FCEELP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001715181918 1287346017 /nfs/dbraw/zinc/34/60/17/1287346017.db2.gz FPMVDPCPNLKKBY-RFBLXINOSA-N 2 2 357.458 0.668 10 30 FCEELP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001715181918 1287346020 /nfs/dbraw/zinc/34/60/20/1287346020.db2.gz FPMVDPCPNLKKBY-RFBLXINOSA-N 2 2 357.458 0.668 10 30 FCEELP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001707085667 1286437144 /nfs/dbraw/zinc/43/71/44/1286437144.db2.gz WOFYDJVFMUCHIH-TVFCKZIOSA-N 2 2 351.491 0.927 10 30 FCEELP C#CCNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001734269306 1288647258 /nfs/dbraw/zinc/64/72/58/1288647258.db2.gz QBSNCJTWWDZTHO-FVQBIDKESA-N 2 2 357.458 0.574 10 30 FCEELP C#CCNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001734269306 1288647261 /nfs/dbraw/zinc/64/72/61/1288647261.db2.gz QBSNCJTWWDZTHO-FVQBIDKESA-N 2 2 357.458 0.574 10 30 FCEELP C#CC[NH+]1CCC(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001737779666 1289586278 /nfs/dbraw/zinc/58/62/78/1289586278.db2.gz BDERJRMCRZSNGB-IAGOWNOFSA-N 2 2 371.485 0.443 10 30 FCEELP C#CCNC(=O)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001700340592 1289593622 /nfs/dbraw/zinc/59/36/22/1289593622.db2.gz AXQPWIGGTJVQRV-IAGOWNOFSA-N 2 2 371.485 0.823 10 30 FCEELP C#CCNC(=O)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001700340592 1289593627 /nfs/dbraw/zinc/59/36/27/1289593627.db2.gz AXQPWIGGTJVQRV-IAGOWNOFSA-N 2 2 371.485 0.823 10 30 FCEELP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001268110338 859524059 /nfs/dbraw/zinc/52/40/59/859524059.db2.gz SRHCMONAWYHZAO-KSZLIROESA-N 2 2 351.491 0.620 10 30 FCEELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@@H]2C1 ZINC000193601469 529823473 /nfs/dbraw/zinc/82/34/73/529823473.db2.gz LWOXTTDFSONTOD-BBWFWOEESA-N 2 2 373.526 0.950 10 30 FCEELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@@H]2C1 ZINC000193601469 529823475 /nfs/dbraw/zinc/82/34/75/529823475.db2.gz LWOXTTDFSONTOD-BBWFWOEESA-N 2 2 373.526 0.950 10 30 FCEELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@@H]2C1 ZINC000193601469 529823477 /nfs/dbraw/zinc/82/34/77/529823477.db2.gz LWOXTTDFSONTOD-BBWFWOEESA-N 2 2 373.526 0.950 10 30 FCEELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@@H]2C1 ZINC000193601469 529823479 /nfs/dbraw/zinc/82/34/79/529823479.db2.gz LWOXTTDFSONTOD-BBWFWOEESA-N 2 2 373.526 0.950 10 30 FCEELP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000419948726 246382013 /nfs/dbraw/zinc/38/20/13/246382013.db2.gz KICXGFODJUTYJN-GOSISDBHSA-N 2 2 369.469 0.461 10 30 FCEELP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329504400 489010516 /nfs/dbraw/zinc/01/05/16/489010516.db2.gz AAIFQKBOJVYOHF-RCCFBDPRSA-N 2 2 367.538 0.721 10 30 FCEELP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329504400 489010518 /nfs/dbraw/zinc/01/05/18/489010518.db2.gz AAIFQKBOJVYOHF-RCCFBDPRSA-N 2 2 367.538 0.721 10 30 FCEELP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000329617258 489021227 /nfs/dbraw/zinc/02/12/27/489021227.db2.gz QCQUJKZLCNSOPL-MWDXBVQZSA-N 2 2 354.495 0.805 10 30 FCEELP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@]2(CCOC2)O1 ZINC000367456724 489207347 /nfs/dbraw/zinc/20/73/47/489207347.db2.gz CQVVRJGHCNPVGM-YRPNKDGESA-N 2 2 364.486 0.749 10 30 FCEELP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@]2(CCOC2)O1 ZINC000367456724 489207351 /nfs/dbraw/zinc/20/73/51/489207351.db2.gz CQVVRJGHCNPVGM-YRPNKDGESA-N 2 2 364.486 0.749 10 30 FCEELP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@]2(CCOC2)O1 ZINC000367456724 489207355 /nfs/dbraw/zinc/20/73/55/489207355.db2.gz CQVVRJGHCNPVGM-YRPNKDGESA-N 2 2 364.486 0.749 10 30 FCEELP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@]2(CCOC2)O1 ZINC000367456724 489207356 /nfs/dbraw/zinc/20/73/56/489207356.db2.gz CQVVRJGHCNPVGM-YRPNKDGESA-N 2 2 364.486 0.749 10 30 FCEELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420090865 489908302 /nfs/dbraw/zinc/90/83/02/489908302.db2.gz ALBOPLKFHQOLMK-QAPCUYQASA-N 2 2 369.469 0.317 10 30 FCEELP OC[C@H]1C[NH+](CC#CC[N@@H+]2CCC(F)(F)[C@@H](CO)C2)CCC1(F)F ZINC000463229284 490006446 /nfs/dbraw/zinc/00/64/46/490006446.db2.gz CDLINSGRUIZCNA-ZIAGYGMSSA-N 2 2 352.372 0.889 10 30 FCEELP OC[C@H]1C[NH+](CC#CC[N@H+]2CCC(F)(F)[C@@H](CO)C2)CCC1(F)F ZINC000463229284 490006447 /nfs/dbraw/zinc/00/64/47/490006447.db2.gz CDLINSGRUIZCNA-ZIAGYGMSSA-N 2 2 352.372 0.889 10 30 FCEELP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H]1C[NH3+] ZINC000601581740 491936741 /nfs/dbraw/zinc/93/67/41/491936741.db2.gz PIUGMLXXSULEBH-CRAIPNDOSA-N 2 2 369.469 0.256 10 30 FCEELP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599319141 492159558 /nfs/dbraw/zinc/15/95/58/492159558.db2.gz KMKJPXUFMGDODK-DLBZAZTESA-N 2 2 364.490 0.296 10 30 FCEELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599319141 492159559 /nfs/dbraw/zinc/15/95/59/492159559.db2.gz KMKJPXUFMGDODK-DLBZAZTESA-N 2 2 364.490 0.296 10 30 FCEELP C[NH+]=C(NCCOc1ncccc1F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000261675435 526362513 /nfs/dbraw/zinc/36/25/13/526362513.db2.gz HFHLTSRLPVLRNP-AWEZNQCLSA-N 2 2 351.426 0.581 10 30 FCEELP C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NCC(C)(C)[NH+]1CCOCC1 ZINC000262421617 526373900 /nfs/dbraw/zinc/37/39/00/526373900.db2.gz KZLBOHMZBSEBRO-HNNXBMFYSA-N 2 2 363.510 0.425 10 30 FCEELP C[NH+]=C(NCc1cc(C(=O)OC)c(C)o1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262496748 526381306 /nfs/dbraw/zinc/38/13/06/526381306.db2.gz WTIYSHCRGSSCCJ-CQSZACIVSA-N 2 2 364.446 0.857 10 30 FCEELP CC[NH+]=C(NCC(C)(C)[NH+]1CCOCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261723101 528801998 /nfs/dbraw/zinc/80/19/98/528801998.db2.gz IQBKABOMHPBPNS-IBGZPJMESA-N 2 2 365.522 0.665 10 30 FCEELP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261780441 528806512 /nfs/dbraw/zinc/80/65/12/528806512.db2.gz PHWLGGPEBXBUNR-KRWDZBQOSA-N 2 2 353.536 0.603 10 30 FCEELP Cc1ncc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1C#N ZINC000594804275 547012662 /nfs/dbraw/zinc/01/26/62/547012662.db2.gz VKNJSPBXKUKVEZ-ZDUSSCGKSA-N 2 2 353.492 0.812 10 30 FCEELP Cc1ncc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1C#N ZINC000594804275 547012663 /nfs/dbraw/zinc/01/26/63/547012663.db2.gz VKNJSPBXKUKVEZ-ZDUSSCGKSA-N 2 2 353.492 0.812 10 30 FCEELP C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481625784 1186599404 /nfs/dbraw/zinc/59/94/04/1186599404.db2.gz QAIXCGOKOHMOQK-NVXWUHKLSA-N 2 2 350.507 0.799 10 30 FCEELP C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481625784 1186599408 /nfs/dbraw/zinc/59/94/08/1186599408.db2.gz QAIXCGOKOHMOQK-NVXWUHKLSA-N 2 2 350.507 0.799 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001272521323 1197249763 /nfs/dbraw/zinc/24/97/63/1197249763.db2.gz PGSIJNHRRFCFGA-KZNAEPCWSA-N 2 2 370.428 0.781 10 30 FCEELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)CC1 ZINC000734283374 1197747833 /nfs/dbraw/zinc/74/78/33/1197747833.db2.gz IVBSJOCSSIBWGK-MAUKXSAKSA-N 2 2 360.506 0.537 10 30 FCEELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)CC1 ZINC000734283374 1197747843 /nfs/dbraw/zinc/74/78/43/1197747843.db2.gz IVBSJOCSSIBWGK-MAUKXSAKSA-N 2 2 360.506 0.537 10 30 FCEELP C#CCN1C(=O)C[C@@H]([NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O ZINC000821771469 1203216427 /nfs/dbraw/zinc/21/64/27/1203216427.db2.gz AEVGFVGWXCZXNZ-QGZVFWFLSA-N 2 2 374.485 0.013 10 30 FCEELP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)[C@H]2C)C1=O ZINC001489297684 1208728322 /nfs/dbraw/zinc/72/83/22/1208728322.db2.gz PUMLUNPAGUFMRS-IKGGRYGDSA-N 2 2 364.490 0.075 10 30 FCEELP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)[C@H]2C)C1=O ZINC001489297684 1208728323 /nfs/dbraw/zinc/72/83/23/1208728323.db2.gz PUMLUNPAGUFMRS-IKGGRYGDSA-N 2 2 364.490 0.075 10 30 FCEELP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000867978218 1210037508 /nfs/dbraw/zinc/03/75/08/1210037508.db2.gz XWMRRWCDBYWXNY-IFXJQAMLSA-N 2 2 370.453 0.841 10 30 FCEELP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000867978218 1210037515 /nfs/dbraw/zinc/03/75/15/1210037515.db2.gz XWMRRWCDBYWXNY-IFXJQAMLSA-N 2 2 370.453 0.841 10 30 FCEELP C#CC[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CC=C)CC1 ZINC000828432094 1222404028 /nfs/dbraw/zinc/40/40/28/1222404028.db2.gz VANBSRZRJMOAMT-SJORKVTESA-N 2 2 356.474 0.755 10 30 FCEELP C#CC[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2CC=C)CC1 ZINC000828432094 1222404033 /nfs/dbraw/zinc/40/40/33/1222404033.db2.gz VANBSRZRJMOAMT-SJORKVTESA-N 2 2 356.474 0.755 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001286482471 1261937753 /nfs/dbraw/zinc/93/77/53/1261937753.db2.gz RWFKUKMMZXAYBX-KRWDZBQOSA-N 2 2 367.501 0.969 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001300683958 1262994642 /nfs/dbraw/zinc/99/46/42/1262994642.db2.gz UZXRAJYVNFOVFN-GOSISDBHSA-N 2 2 360.506 0.699 10 30 FCEELP C=CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001479421615 1263192471 /nfs/dbraw/zinc/19/24/71/1263192471.db2.gz QLFNJVUMAZCQCG-IPMKNSEASA-N 2 2 370.497 0.967 10 30 FCEELP C=CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001479421615 1263192476 /nfs/dbraw/zinc/19/24/76/1263192476.db2.gz QLFNJVUMAZCQCG-IPMKNSEASA-N 2 2 370.497 0.967 10 30 FCEELP C=CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001479421615 1263192480 /nfs/dbraw/zinc/19/24/80/1263192480.db2.gz QLFNJVUMAZCQCG-IPMKNSEASA-N 2 2 370.497 0.967 10 30 FCEELP C=CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001479421615 1263192482 /nfs/dbraw/zinc/19/24/82/1263192482.db2.gz QLFNJVUMAZCQCG-IPMKNSEASA-N 2 2 370.497 0.967 10 30 FCEELP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC001479580619 1263264155 /nfs/dbraw/zinc/26/41/55/1263264155.db2.gz IYHRLKBKEHPKDX-VYDXJSESSA-N 2 2 361.490 0.870 10 30 FCEELP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480394710 1263429216 /nfs/dbraw/zinc/42/92/16/1263429216.db2.gz AFBZTADEXBUEEJ-MCDJNTACSA-N 2 2 357.458 0.261 10 30 FCEELP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480394710 1263429223 /nfs/dbraw/zinc/42/92/23/1263429223.db2.gz AFBZTADEXBUEEJ-MCDJNTACSA-N 2 2 357.458 0.261 10 30 FCEELP C#CCN(C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC001341282545 1268914743 /nfs/dbraw/zinc/91/47/43/1268914743.db2.gz WQHKQVZRRUHLRL-MRXNPFEDSA-N 2 2 369.469 0.333 10 30 FCEELP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001567304973 1269686283 /nfs/dbraw/zinc/68/62/83/1269686283.db2.gz HDNDKHKDGNFOOQ-MSOLQXFVSA-N 2 2 356.470 0.129 10 30 FCEELP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001567304973 1269686290 /nfs/dbraw/zinc/68/62/90/1269686290.db2.gz HDNDKHKDGNFOOQ-MSOLQXFVSA-N 2 2 356.470 0.129 10 30 FCEELP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001567304973 1269686294 /nfs/dbraw/zinc/68/62/94/1269686294.db2.gz HDNDKHKDGNFOOQ-MSOLQXFVSA-N 2 2 356.470 0.129 10 30 FCEELP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001567304973 1269686303 /nfs/dbraw/zinc/68/63/03/1269686303.db2.gz HDNDKHKDGNFOOQ-MSOLQXFVSA-N 2 2 356.470 0.129 10 30 FCEELP C#CCNC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001713783729 1287297776 /nfs/dbraw/zinc/29/77/76/1287297776.db2.gz UUNSWUSYLPEBCL-USXIJHARSA-N 2 2 371.485 0.584 10 30 FCEELP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001714169106 1287314529 /nfs/dbraw/zinc/31/45/29/1287314529.db2.gz OIUUVXHLPUFRJM-WSTZPKSXSA-N 2 2 363.502 0.764 10 30 FCEELP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001733666151 1288623815 /nfs/dbraw/zinc/62/38/15/1288623815.db2.gz JOJCTQLDNGMRQC-ARFHVFGLSA-N 2 2 359.474 0.654 10 30 FCEELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000328857343 488943943 /nfs/dbraw/zinc/94/39/43/488943943.db2.gz DFILYRIWOCORFK-SQNIBIBYSA-N 2 2 367.538 0.579 10 30 FCEELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000328857343 488943947 /nfs/dbraw/zinc/94/39/47/488943947.db2.gz DFILYRIWOCORFK-SQNIBIBYSA-N 2 2 367.538 0.579 10 30 FCEELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@H]21 ZINC000328884244 488946555 /nfs/dbraw/zinc/94/65/55/488946555.db2.gz NSWZXKDJEPHGGS-CGTJXYLNSA-N 2 2 366.506 0.806 10 30 FCEELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@H]21 ZINC000328884244 488946559 /nfs/dbraw/zinc/94/65/59/488946559.db2.gz NSWZXKDJEPHGGS-CGTJXYLNSA-N 2 2 366.506 0.806 10 30 FCEELP C#CCNC(=O)[C@H](C)[NH+]1CCCC2(CCC[N@@H+]([C@@H](C)C(=O)NCC#C)C2)C1 ZINC000289506923 489072773 /nfs/dbraw/zinc/07/27/73/489072773.db2.gz QNTNXYDYRXKCSH-GAOSQQNJSA-N 2 2 372.513 0.440 10 30 FCEELP C#CCNC(=O)[C@H](C)[NH+]1CCCC2(CCC[N@H+]([C@@H](C)C(=O)NCC#C)C2)C1 ZINC000289506923 489072776 /nfs/dbraw/zinc/07/27/76/489072776.db2.gz QNTNXYDYRXKCSH-GAOSQQNJSA-N 2 2 372.513 0.440 10 30 FCEELP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000330212948 489080690 /nfs/dbraw/zinc/08/06/90/489080690.db2.gz DZCULBJSIQPMGV-GVDBMIGSSA-N 2 2 354.495 0.664 10 30 FCEELP C=CCN1CC[C@H]([NH+](C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000366910425 489200494 /nfs/dbraw/zinc/20/04/94/489200494.db2.gz HZAUKHOTXKOSMU-IRXDYDNUSA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@H]([NH+](C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1=O ZINC000366910425 489200499 /nfs/dbraw/zinc/20/04/99/489200499.db2.gz HZAUKHOTXKOSMU-IRXDYDNUSA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1=O ZINC000366910425 489200502 /nfs/dbraw/zinc/20/05/02/489200502.db2.gz HZAUKHOTXKOSMU-IRXDYDNUSA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@H]([N@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1=O ZINC000366910425 489200505 /nfs/dbraw/zinc/20/05/05/489200505.db2.gz HZAUKHOTXKOSMU-IRXDYDNUSA-N 2 2 366.506 0.178 10 30 FCEELP Cc1cc(C#N)cc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000601114891 491896592 /nfs/dbraw/zinc/89/65/92/491896592.db2.gz AEDNLLZLLJJYCM-UHFFFAOYSA-N 2 2 370.501 0.936 10 30 FCEELP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)cc1 ZINC000595989688 491969524 /nfs/dbraw/zinc/96/95/24/491969524.db2.gz TXFILMBOEDKAMX-UHFFFAOYSA-N 2 2 367.453 0.152 10 30 FCEELP C=CC[C@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000625705639 492865976 /nfs/dbraw/zinc/86/59/76/492865976.db2.gz WRLMGCIHNFNQKN-HNNXBMFYSA-N 2 2 369.473 0.910 10 30 FCEELP C=CC[C@]1(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC[NH2+]1 ZINC000662670356 493530831 /nfs/dbraw/zinc/53/08/31/493530831.db2.gz FAQCSKYEBRFKMY-GOSISDBHSA-N 2 2 355.446 0.710 10 30 FCEELP C[NH+]=C(NCc1cn2ccccc2n1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261948208 526387664 /nfs/dbraw/zinc/38/76/64/526387664.db2.gz GNMNBQTVJBSIMK-UHFFFAOYSA-N 2 2 371.489 0.506 10 30 FCEELP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261836402 526388050 /nfs/dbraw/zinc/38/80/50/526388050.db2.gz VVHCPIYHVYRKND-UHFFFAOYSA-N 2 2 370.461 0.377 10 30 FCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(Cc2ccon2)CC1 ZINC000152842986 528811562 /nfs/dbraw/zinc/81/15/62/528811562.db2.gz CTDUONUMINHHHR-MRXNPFEDSA-N 2 2 350.467 0.088 10 30 FCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(Cc2ccon2)CC1 ZINC000152842986 528811570 /nfs/dbraw/zinc/81/15/70/528811570.db2.gz CTDUONUMINHHHR-MRXNPFEDSA-N 2 2 350.467 0.088 10 30 FCEELP C#CC[NH+]1CCC(NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000921437788 666452496 /nfs/dbraw/zinc/45/24/96/666452496.db2.gz GUSDKPGJIAUFSB-UHFFFAOYSA-N 2 2 367.519 0.437 10 30 FCEELP C#CCNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481985042 1187565606 /nfs/dbraw/zinc/56/56/06/1187565606.db2.gz WITAYDGWPXNLCI-GVDBMIGSSA-N 2 2 371.485 0.491 10 30 FCEELP C#CCC[NH+]1CCN(c2nccnc2N2CC[NH+](CCC#C)CC2)CC1 ZINC000166359191 1196510093 /nfs/dbraw/zinc/51/00/93/1196510093.db2.gz KAILZOKOUVNZPW-UHFFFAOYSA-N 2 2 352.486 0.767 10 30 FCEELP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440986 1196721136 /nfs/dbraw/zinc/72/11/36/1196721136.db2.gz KKFAWUGKMQIOSG-AWEZNQCLSA-N 2 2 356.434 0.423 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CC(=O)NCC#N ZINC001489311975 1208786215 /nfs/dbraw/zinc/78/62/15/1208786215.db2.gz QMPDMEZAFMJDFP-PBHICJAKSA-N 2 2 357.458 0.581 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CC(=O)NCC#N ZINC001489311975 1208786217 /nfs/dbraw/zinc/78/62/17/1208786217.db2.gz QMPDMEZAFMJDFP-PBHICJAKSA-N 2 2 357.458 0.581 10 30 FCEELP C#CCN(C(=O)C(=O)NCCCNc1cccc[nH+]1)C1CC[NH+](C)CC1 ZINC000929506899 1211643063 /nfs/dbraw/zinc/64/30/63/1211643063.db2.gz DJJNYOAIQPYHHI-UHFFFAOYSA-N 2 2 357.458 0.556 10 30 FCEELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)C1 ZINC000749787643 1219810210 /nfs/dbraw/zinc/81/02/10/1219810210.db2.gz ULYPQWVNRYQAAT-INIZCTEOSA-N 2 2 366.437 0.936 10 30 FCEELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)C1 ZINC000749787643 1219810214 /nfs/dbraw/zinc/81/02/14/1219810214.db2.gz ULYPQWVNRYQAAT-INIZCTEOSA-N 2 2 366.437 0.936 10 30 FCEELP C#CC[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000843244094 1222862147 /nfs/dbraw/zinc/86/21/47/1222862147.db2.gz IMJBFTKJVPPTER-QGZVFWFLSA-N 2 2 362.518 0.733 10 30 FCEELP C#CC[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000843244094 1222862150 /nfs/dbraw/zinc/86/21/50/1222862150.db2.gz IMJBFTKJVPPTER-QGZVFWFLSA-N 2 2 362.518 0.733 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001283760672 1261701680 /nfs/dbraw/zinc/70/16/80/1261701680.db2.gz XSHRNYHXABKCDX-OKZBNKHCSA-N 2 2 362.449 0.994 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001283760672 1261701689 /nfs/dbraw/zinc/70/16/89/1261701689.db2.gz XSHRNYHXABKCDX-OKZBNKHCSA-N 2 2 362.449 0.994 10 30 FCEELP CCO[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]CC#CCOC ZINC001479547846 1263250258 /nfs/dbraw/zinc/25/02/58/1263250258.db2.gz VFFSVHWXIWCWJL-SJLPKXTDSA-N 2 2 362.474 0.456 10 30 FCEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)[C@@H]1CC ZINC001479636704 1263284375 /nfs/dbraw/zinc/28/43/75/1263284375.db2.gz BQOAKJYAQCYRFP-KSZLIROESA-N 2 2 360.502 0.579 10 30 FCEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)[C@@H]1CC ZINC001479636704 1263284385 /nfs/dbraw/zinc/28/43/85/1263284385.db2.gz BQOAKJYAQCYRFP-KSZLIROESA-N 2 2 360.502 0.579 10 30 FCEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCNC(=O)C2CC2)[C@@H]1CC ZINC001479636704 1263284393 /nfs/dbraw/zinc/28/43/93/1263284393.db2.gz BQOAKJYAQCYRFP-KSZLIROESA-N 2 2 360.502 0.579 10 30 FCEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCNC(=O)C2CC2)[C@@H]1CC ZINC001479636704 1263284401 /nfs/dbraw/zinc/28/44/01/1263284401.db2.gz BQOAKJYAQCYRFP-KSZLIROESA-N 2 2 360.502 0.579 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001479717992 1263384772 /nfs/dbraw/zinc/38/47/72/1263384772.db2.gz MLJBXYOARPQMLY-ZRGWGRIASA-N 2 2 366.481 0.527 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001479717992 1263384783 /nfs/dbraw/zinc/38/47/83/1263384783.db2.gz MLJBXYOARPQMLY-ZRGWGRIASA-N 2 2 366.481 0.527 10 30 FCEELP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001479717992 1263384795 /nfs/dbraw/zinc/38/47/95/1263384795.db2.gz MLJBXYOARPQMLY-ZRGWGRIASA-N 2 2 366.481 0.527 10 30 FCEELP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001479717992 1263384804 /nfs/dbraw/zinc/38/48/04/1263384804.db2.gz MLJBXYOARPQMLY-ZRGWGRIASA-N 2 2 366.481 0.527 10 30 FCEELP C#CCNC(=O)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001316715610 1263435101 /nfs/dbraw/zinc/43/51/01/1263435101.db2.gz AHJKDCATNXWXHQ-HZPDHXFCSA-N 2 2 359.474 0.699 10 30 FCEELP C=CCNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001486515422 1263539697 /nfs/dbraw/zinc/53/96/97/1263539697.db2.gz ISADPWWAFFRFLW-DJIMGWMZSA-N 2 2 371.485 0.963 10 30 FCEELP C=CCNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001486515422 1263539707 /nfs/dbraw/zinc/53/97/07/1263539707.db2.gz ISADPWWAFFRFLW-DJIMGWMZSA-N 2 2 371.485 0.963 10 30 FCEELP C=CCNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001486515424 1263540712 /nfs/dbraw/zinc/54/07/12/1263540712.db2.gz ISADPWWAFFRFLW-USXIJHARSA-N 2 2 371.485 0.963 10 30 FCEELP C=CCNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001486515424 1263540719 /nfs/dbraw/zinc/54/07/19/1263540719.db2.gz ISADPWWAFFRFLW-USXIJHARSA-N 2 2 371.485 0.963 10 30 FCEELP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC001500586850 1264075701 /nfs/dbraw/zinc/07/57/01/1264075701.db2.gz MHCNPJHEPRQORK-HZPDHXFCSA-N 2 2 360.458 0.428 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001539444482 1267428960 /nfs/dbraw/zinc/42/89/60/1267428960.db2.gz PQNZRDFLXOFFGQ-INIZCTEOSA-N 2 2 355.490 0.989 10 30 FCEELP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001567427874 1269693096 /nfs/dbraw/zinc/69/30/96/1269693096.db2.gz HXOJRMMPNVNJPV-MSOLQXFVSA-N 2 2 351.491 0.718 10 30 FCEELP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001567427874 1269693103 /nfs/dbraw/zinc/69/31/03/1269693103.db2.gz HXOJRMMPNVNJPV-MSOLQXFVSA-N 2 2 351.491 0.718 10 30 FCEELP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCC1 ZINC001568238359 1269723697 /nfs/dbraw/zinc/72/36/97/1269723697.db2.gz CVSKXJIMYLCZFJ-MSOLQXFVSA-N 2 2 363.502 0.908 10 30 FCEELP CC[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[NH2+]CC#CCOC ZINC001715065470 1287343443 /nfs/dbraw/zinc/34/34/43/1287343443.db2.gz CNHMGSVGWARYIT-KURKYZTESA-N 2 2 367.490 0.000 10 30 FCEELP C=CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001717598966 1287431081 /nfs/dbraw/zinc/43/10/81/1287431081.db2.gz AEAARZLKVYYSSA-QCODTGAPSA-N 2 2 357.458 0.120 10 30 FCEELP C=CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001717598966 1287431089 /nfs/dbraw/zinc/43/10/89/1287431089.db2.gz AEAARZLKVYYSSA-QCODTGAPSA-N 2 2 357.458 0.120 10 30 FCEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001722167756 1288410711 /nfs/dbraw/zinc/41/07/11/1288410711.db2.gz BMGOBXQQBHFYTR-CRAIPNDOSA-N 2 2 371.485 0.745 10 30 FCEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001722167756 1288410715 /nfs/dbraw/zinc/41/07/15/1288410715.db2.gz BMGOBXQQBHFYTR-CRAIPNDOSA-N 2 2 371.485 0.745 10 30 FCEELP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001700189982 1289586858 /nfs/dbraw/zinc/58/68/58/1289586858.db2.gz IWRAAXUPLZRASD-MSOLQXFVSA-N 2 2 351.491 0.670 10 30 FCEELP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001700189982 1289586865 /nfs/dbraw/zinc/58/68/65/1289586865.db2.gz IWRAAXUPLZRASD-MSOLQXFVSA-N 2 2 351.491 0.670 10 30 FCEELP C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001628146965 1290510368 /nfs/dbraw/zinc/51/03/68/1290510368.db2.gz UCPYKBRSLNYNRP-UHFFFAOYSA-N 2 2 370.497 0.688 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001628146965 1290510376 /nfs/dbraw/zinc/51/03/76/1290510376.db2.gz UCPYKBRSLNYNRP-UHFFFAOYSA-N 2 2 370.497 0.688 10 30 FCEELP C#CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001677372552 1292232842 /nfs/dbraw/zinc/23/28/42/1292232842.db2.gz UOCXIIGLNVEHQO-MSOLQXFVSA-N 2 2 368.481 0.482 10 30 FCEELP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001267588287 859510269 /nfs/dbraw/zinc/51/02/69/859510269.db2.gz VTGSKGWMDDXMBO-KURKYZTESA-N 2 2 351.491 0.833 10 30 FCEELP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001267588287 859510274 /nfs/dbraw/zinc/51/02/74/859510274.db2.gz VTGSKGWMDDXMBO-KURKYZTESA-N 2 2 351.491 0.833 10 30 FCEELP C#CCN(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C1CC[NH+](C)CC1 ZINC001346761584 871985514 /nfs/dbraw/zinc/98/55/14/871985514.db2.gz IUTOTRAFBQLRQU-UHFFFAOYSA-N 2 2 350.463 0.174 10 30 FCEELP C#CCN(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)C1CC[NH+](C)CC1 ZINC001346761584 871985525 /nfs/dbraw/zinc/98/55/25/871985525.db2.gz IUTOTRAFBQLRQU-UHFFFAOYSA-N 2 2 350.463 0.174 10 30 FCEELP N#CC1(C[C@@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)CCOCC1 ZINC001331379991 873083875 /nfs/dbraw/zinc/08/38/75/873083875.db2.gz KRAZNQBKFXTQQW-QGZVFWFLSA-N 2 2 351.491 0.884 10 30 FCEELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420090863 246460024 /nfs/dbraw/zinc/46/00/24/246460024.db2.gz ALBOPLKFHQOLMK-CRAIPNDOSA-N 2 2 369.469 0.317 10 30 FCEELP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241608 229166836 /nfs/dbraw/zinc/16/68/36/229166836.db2.gz ANXMYUCTXIZAIL-INIZCTEOSA-N 2 2 363.506 0.623 10 30 FCEELP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000329093931 488968494 /nfs/dbraw/zinc/96/84/94/488968494.db2.gz XLIZAWAGOJXQMM-IRXDYDNUSA-N 2 2 353.511 0.331 10 30 FCEELP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000329093931 488968497 /nfs/dbraw/zinc/96/84/97/488968497.db2.gz XLIZAWAGOJXQMM-IRXDYDNUSA-N 2 2 353.511 0.331 10 30 FCEELP CN(C(=O)CC1(C#N)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000590223570 491770981 /nfs/dbraw/zinc/77/09/81/491770981.db2.gz GEJYBZZPOXUBMC-UHFFFAOYSA-N 2 2 361.490 0.377 10 30 FCEELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1sccc1C#N ZINC000595109243 491884219 /nfs/dbraw/zinc/88/42/19/491884219.db2.gz VURVAEDHMOHKHX-LBPRGKRZSA-N 2 2 351.476 0.946 10 30 FCEELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1sccc1C#N ZINC000595109243 491884220 /nfs/dbraw/zinc/88/42/20/491884220.db2.gz VURVAEDHMOHKHX-LBPRGKRZSA-N 2 2 351.476 0.946 10 30 FCEELP C=CCOCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000668721078 493401236 /nfs/dbraw/zinc/40/12/36/493401236.db2.gz GTIFDIURYVRNHL-UHFFFAOYSA-N 2 2 366.506 0.370 10 30 FCEELP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261727609 526357865 /nfs/dbraw/zinc/35/78/65/526357865.db2.gz JBXDKWDFTDJGFV-SFHVURJKSA-N 2 2 351.495 0.275 10 30 FCEELP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261727609 526357873 /nfs/dbraw/zinc/35/78/73/526357873.db2.gz JBXDKWDFTDJGFV-SFHVURJKSA-N 2 2 351.495 0.275 10 30 FCEELP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000262777215 526359992 /nfs/dbraw/zinc/35/99/92/526359992.db2.gz JOBGRUGJJAUYCE-HNNXBMFYSA-N 2 2 365.551 0.603 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261656826 526372457 /nfs/dbraw/zinc/37/24/57/526372457.db2.gz AFHMGDUWEPRKGV-UONOGXRCSA-N 2 2 366.897 0.809 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261656826 526372460 /nfs/dbraw/zinc/37/24/60/526372460.db2.gz AFHMGDUWEPRKGV-UONOGXRCSA-N 2 2 366.897 0.809 10 30 FCEELP C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262812120 526373857 /nfs/dbraw/zinc/37/38/57/526373857.db2.gz USLNYKMISACGNK-HOTGVXAUSA-N 2 2 361.494 0.131 10 30 FCEELP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261966710 526388678 /nfs/dbraw/zinc/38/86/78/526388678.db2.gz LQYMBRFVAUCIOM-UHFFFAOYSA-N 2 2 366.535 0.931 10 30 FCEELP C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262429970 526392781 /nfs/dbraw/zinc/39/27/81/526392781.db2.gz DVBTVXDBHAOGJL-HNNXBMFYSA-N 2 2 361.494 0.486 10 30 FCEELP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231397 526601685 /nfs/dbraw/zinc/60/16/85/526601685.db2.gz MJEUCIQFEFWCDW-HZPDHXFCSA-N 2 2 351.495 0.489 10 30 FCEELP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231397 526601690 /nfs/dbraw/zinc/60/16/90/526601690.db2.gz MJEUCIQFEFWCDW-HZPDHXFCSA-N 2 2 351.495 0.489 10 30 FCEELP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231396 526609438 /nfs/dbraw/zinc/60/94/38/526609438.db2.gz MJEUCIQFEFWCDW-JKSUJKDBSA-N 2 2 351.495 0.489 10 30 FCEELP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231396 526609443 /nfs/dbraw/zinc/60/94/43/526609443.db2.gz MJEUCIQFEFWCDW-JKSUJKDBSA-N 2 2 351.495 0.489 10 30 FCEELP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000853673202 671553553 /nfs/dbraw/zinc/55/35/53/671553553.db2.gz BXEFONQOWQADAZ-AWEZNQCLSA-N 2 2 354.476 0.667 10 30 FCEELP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001266531745 1169124262 /nfs/dbraw/zinc/12/42/62/1169124262.db2.gz DOVOWDRMXCPHBC-ARFHVFGLSA-N 2 2 357.458 0.904 10 30 FCEELP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001480915248 1171555149 /nfs/dbraw/zinc/55/51/49/1171555149.db2.gz SBRNNLAPWUPOHR-MSOLQXFVSA-N 2 2 358.486 0.682 10 30 FCEELP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001480915248 1171555164 /nfs/dbraw/zinc/55/51/64/1171555164.db2.gz SBRNNLAPWUPOHR-MSOLQXFVSA-N 2 2 358.486 0.682 10 30 FCEELP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001480915248 1171555181 /nfs/dbraw/zinc/55/51/81/1171555181.db2.gz SBRNNLAPWUPOHR-MSOLQXFVSA-N 2 2 358.486 0.682 10 30 FCEELP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001480915248 1171555193 /nfs/dbraw/zinc/55/51/93/1171555193.db2.gz SBRNNLAPWUPOHR-MSOLQXFVSA-N 2 2 358.486 0.682 10 30 FCEELP C#CCN(C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CC[NH+](C)CC1 ZINC000910886315 1195857733 /nfs/dbraw/zinc/85/77/33/1195857733.db2.gz LOKVOAFUKQDUFS-FUHWJXTLSA-N 2 2 371.485 0.849 10 30 FCEELP C[N@@H+]1C[C@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC001490506480 1209370690 /nfs/dbraw/zinc/37/06/90/1209370690.db2.gz MZZFZPIDPOOUNN-MOPGFXCFSA-N 2 2 355.486 0.589 10 30 FCEELP C[N@H+]1C[C@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC001490506480 1209370694 /nfs/dbraw/zinc/37/06/94/1209370694.db2.gz MZZFZPIDPOOUNN-MOPGFXCFSA-N 2 2 355.486 0.589 10 30 FCEELP S=C(NCCC[NH+]1CCOCC1)NN=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853266949 1209588423 /nfs/dbraw/zinc/58/84/23/1209588423.db2.gz CWUXRHIOKLGGQK-UHFFFAOYSA-N 2 2 373.486 0.788 10 30 FCEELP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867970927 1210037950 /nfs/dbraw/zinc/03/79/50/1210037950.db2.gz KYUXZMDVFWDIMN-IAGOWNOFSA-N 2 2 350.426 0.652 10 30 FCEELP C#CCN(C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)C1CC[NH+](C)CC1 ZINC000931149375 1211742893 /nfs/dbraw/zinc/74/28/93/1211742893.db2.gz KLPKOODNHPSNEV-LJQANCHMSA-N 2 2 368.481 0.845 10 30 FCEELP C#CCN(C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000931149375 1211742899 /nfs/dbraw/zinc/74/28/99/1211742899.db2.gz KLPKOODNHPSNEV-LJQANCHMSA-N 2 2 368.481 0.845 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001491265121 1220101287 /nfs/dbraw/zinc/10/12/87/1220101287.db2.gz WDHSJUQDFLCZDB-RBSFLKMASA-N 2 2 358.446 0.134 10 30 FCEELP COCC#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001328540860 1265574146 /nfs/dbraw/zinc/57/41/46/1265574146.db2.gz AMRCWIRGTSZUQR-HZPDHXFCSA-N 2 2 360.458 0.117 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cc(C#N)ccc1F ZINC001331789675 1266288084 /nfs/dbraw/zinc/28/80/84/1266288084.db2.gz LBDONHGVUQRFTO-BZUAXINKSA-N 2 2 371.416 0.801 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001266110757 1260422517 /nfs/dbraw/zinc/42/25/17/1260422517.db2.gz OMBHGYGSBCVQPS-RBSFLKMASA-N 2 2 358.446 0.086 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001266110757 1260422520 /nfs/dbraw/zinc/42/25/20/1260422520.db2.gz OMBHGYGSBCVQPS-RBSFLKMASA-N 2 2 358.446 0.086 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC001283804165 1261708239 /nfs/dbraw/zinc/70/82/39/1261708239.db2.gz KIHBVNOSDAVFHW-BZUAXINKSA-N 2 2 371.416 0.801 10 30 FCEELP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCCC2)CC1 ZINC001286478401 1261936999 /nfs/dbraw/zinc/93/69/99/1261936999.db2.gz BHFVQWMTEMXONM-INIZCTEOSA-N 2 2 371.489 0.080 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(CC)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001300701290 1262995722 /nfs/dbraw/zinc/99/57/22/1262995722.db2.gz NPIWJROMZKSCBW-SFHVURJKSA-N 2 2 374.533 0.953 10 30 FCEELP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001479506286 1263233838 /nfs/dbraw/zinc/23/38/38/1263233838.db2.gz HFHWFXALEDUFSE-JCGIZDLHSA-N 2 2 354.458 0.929 10 30 FCEELP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001479506286 1263233844 /nfs/dbraw/zinc/23/38/44/1263233844.db2.gz HFHWFXALEDUFSE-JCGIZDLHSA-N 2 2 354.458 0.929 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CC(=O)NCC#N ZINC001316738254 1263445358 /nfs/dbraw/zinc/44/53/58/1263445358.db2.gz LPQCRTCZURHXGZ-IXDOHACOSA-N 2 2 363.506 0.860 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC(=O)NCC#N ZINC001316738254 1263445360 /nfs/dbraw/zinc/44/53/60/1263445360.db2.gz LPQCRTCZURHXGZ-IXDOHACOSA-N 2 2 363.506 0.860 10 30 FCEELP C#CCNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001316771583 1263467769 /nfs/dbraw/zinc/46/77/69/1263467769.db2.gz HKSYHUBZCFBBSF-GVDBMIGSSA-N 2 2 371.485 0.634 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001316786701 1263477076 /nfs/dbraw/zinc/47/70/76/1263477076.db2.gz MQQVDNUFSMRBEM-CVEARBPZSA-N 2 2 366.506 0.226 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001316786701 1263477078 /nfs/dbraw/zinc/47/70/78/1263477078.db2.gz MQQVDNUFSMRBEM-CVEARBPZSA-N 2 2 366.506 0.226 10 30 FCEELP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317192438 1263504434 /nfs/dbraw/zinc/50/44/34/1263504434.db2.gz NIYPIDBKVZJAQP-ARFHVFGLSA-N 2 2 357.458 0.244 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)[C@H](C)C#N)CC2)CC[N@@H+]1C ZINC001493131042 1263702339 /nfs/dbraw/zinc/70/23/39/1263702339.db2.gz TXCHBDGYCNACOC-IXDOHACOSA-N 2 2 363.506 0.527 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)[C@H](C)C#N)CC2)CC[N@H+]1C ZINC001493131042 1263702348 /nfs/dbraw/zinc/70/23/48/1263702348.db2.gz TXCHBDGYCNACOC-IXDOHACOSA-N 2 2 363.506 0.527 10 30 FCEELP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001493832000 1263742678 /nfs/dbraw/zinc/74/26/78/1263742678.db2.gz WAGJPQLZIFLPHH-NUEKZKHPSA-N 2 2 357.458 0.479 10 30 FCEELP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001493832000 1263742685 /nfs/dbraw/zinc/74/26/85/1263742685.db2.gz WAGJPQLZIFLPHH-NUEKZKHPSA-N 2 2 357.458 0.479 10 30 FCEELP C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001506120403 1264294774 /nfs/dbraw/zinc/29/47/74/1264294774.db2.gz CLBDUDRZLMMRBZ-MOPGFXCFSA-N 2 2 355.482 0.908 10 30 FCEELP C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001506120403 1264294780 /nfs/dbraw/zinc/29/47/80/1264294780.db2.gz CLBDUDRZLMMRBZ-MOPGFXCFSA-N 2 2 355.482 0.908 10 30 FCEELP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001324420104 1264640308 /nfs/dbraw/zinc/64/03/08/1264640308.db2.gz MFSSLZINKAKKFT-BRWVUGGUSA-N 2 2 369.469 0.338 10 30 FCEELP C#CC[NH+]1CCC(C(=O)NCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001522691024 1266576696 /nfs/dbraw/zinc/57/66/96/1266576696.db2.gz RJFZTWPZVNVXJF-HZPDHXFCSA-N 2 2 357.458 0.101 10 30 FCEELP C=CCn1c(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)nnc1[C@]1(C)C[C@H](O)C[NH+]1C ZINC001339070467 1268161749 /nfs/dbraw/zinc/16/17/49/1268161749.db2.gz VCPOURKWAOMXOQ-PDWMJMLSSA-N 2 2 360.506 0.764 10 30 FCEELP C=CCn1c(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)nnc1[C@]1(C)C[C@H](O)C[NH+]1C ZINC001339070467 1268161755 /nfs/dbraw/zinc/16/17/55/1268161755.db2.gz VCPOURKWAOMXOQ-PDWMJMLSSA-N 2 2 360.506 0.764 10 30 FCEELP C=CCn1c(N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339070467 1268161759 /nfs/dbraw/zinc/16/17/59/1268161759.db2.gz VCPOURKWAOMXOQ-PDWMJMLSSA-N 2 2 360.506 0.764 10 30 FCEELP C=CCn1c(N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339070467 1268161765 /nfs/dbraw/zinc/16/17/65/1268161765.db2.gz VCPOURKWAOMXOQ-PDWMJMLSSA-N 2 2 360.506 0.764 10 30 FCEELP C=CCn1c(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)nnc1[C@]1(C)C[C@@H](O)C[NH+]1C ZINC001339070458 1268161862 /nfs/dbraw/zinc/16/18/62/1268161862.db2.gz VCPOURKWAOMXOQ-LTDCPUDJSA-N 2 2 360.506 0.764 10 30 FCEELP C=CCn1c(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)nnc1[C@]1(C)C[C@@H](O)C[NH+]1C ZINC001339070458 1268161865 /nfs/dbraw/zinc/16/18/65/1268161865.db2.gz VCPOURKWAOMXOQ-LTDCPUDJSA-N 2 2 360.506 0.764 10 30 FCEELP C=CCn1c(N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339070458 1268161869 /nfs/dbraw/zinc/16/18/69/1268161869.db2.gz VCPOURKWAOMXOQ-LTDCPUDJSA-N 2 2 360.506 0.764 10 30 FCEELP C=CCn1c(N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339070458 1268161873 /nfs/dbraw/zinc/16/18/73/1268161873.db2.gz VCPOURKWAOMXOQ-LTDCPUDJSA-N 2 2 360.506 0.764 10 30 FCEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001574008353 1270990777 /nfs/dbraw/zinc/99/07/77/1270990777.db2.gz AYKAOIMISGDWLY-KURKYZTESA-N 2 2 371.485 0.582 10 30 FCEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001574008353 1270990783 /nfs/dbraw/zinc/99/07/83/1270990783.db2.gz AYKAOIMISGDWLY-KURKYZTESA-N 2 2 371.485 0.582 10 30 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ZINC000261773385 526348296 /nfs/dbraw/zinc/34/82/96/526348296.db2.gz OGMMKWNFWAHTFI-MRXNPFEDSA-N 2 2 364.494 0.480 10 30 FCEELP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261833147 526358237 /nfs/dbraw/zinc/35/82/37/526358237.db2.gz VSUXRSMGDQJYIL-MRXNPFEDSA-N 2 2 364.494 0.480 10 30 FCEELP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261833147 526358242 /nfs/dbraw/zinc/35/82/42/526358242.db2.gz VSUXRSMGDQJYIL-MRXNPFEDSA-N 2 2 364.494 0.480 10 30 FCEELP C[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175524639 526358629 /nfs/dbraw/zinc/35/86/29/526358629.db2.gz IZHIYXNEDSYFEL-INIZCTEOSA-N 2 2 353.511 0.079 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000156173700 526373570 /nfs/dbraw/zinc/37/35/70/526373570.db2.gz PDYPFWIJCCLLQG-OAHLLOKOSA-N 2 2 367.444 0.993 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000156173700 526373573 /nfs/dbraw/zinc/37/35/73/526373573.db2.gz 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CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)NCC#N)C3)CC2)CC[N@@H+]1C ZINC001666825884 1291923063 /nfs/dbraw/zinc/92/30/63/1291923063.db2.gz WHPWPYVBZLYJJF-JKSUJKDBSA-N 2 2 361.490 0.281 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)NCC#N)C3)CC2)CC[N@H+]1C ZINC001666825884 1291923065 /nfs/dbraw/zinc/92/30/65/1291923065.db2.gz WHPWPYVBZLYJJF-JKSUJKDBSA-N 2 2 361.490 0.281 10 30 FCEELP C#CCNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001671907234 1292052211 /nfs/dbraw/zinc/05/22/11/1292052211.db2.gz GHWHBTOJNBRLLX-QINHECLXSA-N 2 2 371.485 0.491 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001671907234 1292052217 /nfs/dbraw/zinc/05/22/17/1292052217.db2.gz GHWHBTOJNBRLLX-QINHECLXSA-N 2 2 371.485 0.491 10 30 FCEELP C=C(Br)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001284492396 864569373 /nfs/dbraw/zinc/56/93/73/864569373.db2.gz JCPJVIRRFHFUNP-HZSPNIEDSA-N 2 2 362.312 0.986 10 30 FCEELP C=C(Br)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001284492396 864569382 /nfs/dbraw/zinc/56/93/82/864569382.db2.gz JCPJVIRRFHFUNP-HZSPNIEDSA-N 2 2 362.312 0.986 10 30 FCEELP C=C(Br)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001284492396 864569392 /nfs/dbraw/zinc/56/93/92/864569392.db2.gz JCPJVIRRFHFUNP-HZSPNIEDSA-N 2 2 362.312 0.986 10 30 FCEELP C=C(Br)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001284492396 864569400 /nfs/dbraw/zinc/56/94/00/864569400.db2.gz JCPJVIRRFHFUNP-HZSPNIEDSA-N 2 2 362.312 0.986 10 30 FCEELP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001330874730 872855903 /nfs/dbraw/zinc/85/59/03/872855903.db2.gz KVRDUEOZWHKVJS-KSZLIROESA-N 2 2 351.491 0.764 10 30 FCEELP C[NH+]1CCN(CCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1(C)C ZINC000328876000 488945926 /nfs/dbraw/zinc/94/59/26/488945926.db2.gz KAEKWCGPFIBTDC-HZPDHXFCSA-N 2 2 353.511 0.331 10 30 FCEELP C[NH+]1CCO[C@@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@H]21 ZINC000328876000 488945929 /nfs/dbraw/zinc/94/59/29/488945929.db2.gz KAEKWCGPFIBTDC-HZPDHXFCSA-N 2 2 353.511 0.331 10 30 FCEELP C[NH+]1CCO[C@@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C[C@H]21 ZINC000328876000 488945932 /nfs/dbraw/zinc/94/59/32/488945932.db2.gz KAEKWCGPFIBTDC-HZPDHXFCSA-N 2 2 353.511 0.331 10 30 FCEELP CO[C@@H]1C[C@@H](CO)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000329126702 488972197 /nfs/dbraw/zinc/97/21/97/488972197.db2.gz MUCWDFNLQRYTHW-DLBZAZTESA-N 2 2 354.495 0.541 10 30 FCEELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000329734969 489031457 /nfs/dbraw/zinc/03/14/57/489031457.db2.gz RTWNKXUMJVRRSU-KZNAEPCWSA-N 2 2 367.538 0.579 10 30 FCEELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)CN1CC[NH+](C)CC1 ZINC000329734969 489031459 /nfs/dbraw/zinc/03/14/59/489031459.db2.gz RTWNKXUMJVRRSU-KZNAEPCWSA-N 2 2 367.538 0.579 10 30 FCEELP Cc1nc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000595107581 491884308 /nfs/dbraw/zinc/88/43/08/491884308.db2.gz NOHFVBSHGNVQQI-ZDUSSCGKSA-N 2 2 360.462 0.588 10 30 FCEELP Cc1nc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000595107581 491884310 /nfs/dbraw/zinc/88/43/10/491884310.db2.gz NOHFVBSHGNVQQI-ZDUSSCGKSA-N 2 2 360.462 0.588 10 30 FCEELP C=CC[NH+]1CCC(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636742197 492679393 /nfs/dbraw/zinc/67/93/93/492679393.db2.gz ZUCLQLPBVYILBD-IBGZPJMESA-N 2 2 366.506 0.552 10 30 FCEELP C=CC[NH+]1CCC(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636742197 492679397 /nfs/dbraw/zinc/67/93/97/492679397.db2.gz ZUCLQLPBVYILBD-IBGZPJMESA-N 2 2 366.506 0.552 10 30 FCEELP C=CC[C@]1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000662704062 493533394 /nfs/dbraw/zinc/53/33/94/493533394.db2.gz TWJFHCLQECEDGW-HXUWFJFHSA-N 2 2 371.485 0.935 10 30 FCEELP C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262469193 526348582 /nfs/dbraw/zinc/34/85/82/526348582.db2.gz OICAELSWMHNGDL-MRXNPFEDSA-N 2 2 363.437 0.746 10 30 FCEELP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000262484527 526365345 /nfs/dbraw/zinc/36/53/45/526365345.db2.gz SIFTUQJYXUFYNT-QGZVFWFLSA-N 2 2 360.506 0.744 10 30 FCEELP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262484527 526365351 /nfs/dbraw/zinc/36/53/51/526365351.db2.gz SIFTUQJYXUFYNT-QGZVFWFLSA-N 3 2 360.506 0.744 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261773006 526372910 /nfs/dbraw/zinc/37/29/10/526372910.db2.gz PJJSWHVRZIYMMF-QZTJIDSGSA-N 2 2 368.522 0.943 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261773006 526372913 /nfs/dbraw/zinc/37/29/13/526372913.db2.gz PJJSWHVRZIYMMF-QZTJIDSGSA-N 2 2 368.522 0.943 10 30 FCEELP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261985209 526378949 /nfs/dbraw/zinc/37/89/49/526378949.db2.gz PXLIDHQGORUQRP-OAHLLOKOSA-N 2 2 362.565 0.508 10 30 FCEELP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261998187 526388516 /nfs/dbraw/zinc/38/85/16/526388516.db2.gz TWIWBXHLEZRQCE-UHFFFAOYSA-N 2 2 363.510 0.893 10 30 FCEELP CC[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261861357 528806370 /nfs/dbraw/zinc/80/63/70/528806370.db2.gz ZIVJCCZGXDSMHX-IBGZPJMESA-N 2 2 365.522 0.665 10 30 FCEELP CC[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261861357 528806373 /nfs/dbraw/zinc/80/63/73/528806373.db2.gz ZIVJCCZGXDSMHX-IBGZPJMESA-N 2 2 365.522 0.665 10 30 FCEELP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261747819 528806658 /nfs/dbraw/zinc/80/66/58/528806658.db2.gz LMWUVLQGLDEFFB-INIZCTEOSA-N 2 2 366.535 0.808 10 30 FCEELP COc1cc(C#N)ccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594822284 547014442 /nfs/dbraw/zinc/01/44/42/547014442.db2.gz VLGRDSGZVWDBON-UHFFFAOYSA-N 2 2 354.476 0.729 10 30 FCEELP COc1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594822284 547014447 /nfs/dbraw/zinc/01/44/47/547014447.db2.gz VLGRDSGZVWDBON-UHFFFAOYSA-N 2 2 354.476 0.729 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267576179 1181904699 /nfs/dbraw/zinc/90/46/99/1181904699.db2.gz ONOISVFKSHNYTG-ARFHVFGLSA-N 2 2 359.474 0.654 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267576179 1181904706 /nfs/dbraw/zinc/90/47/06/1181904706.db2.gz ONOISVFKSHNYTG-ARFHVFGLSA-N 2 2 359.474 0.654 10 30 FCEELP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001481337193 1185920789 /nfs/dbraw/zinc/92/07/89/1185920789.db2.gz KAUJQJXQEITGGP-UHOSZYNNSA-N 2 2 363.502 0.716 10 30 FCEELP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001483492034 1196314090 /nfs/dbraw/zinc/31/40/90/1196314090.db2.gz DSALRNDVWLNWNJ-BZUAXINKSA-N 2 2 359.474 0.749 10 30 FCEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483650864 1196834953 /nfs/dbraw/zinc/83/49/53/1196834953.db2.gz JBIZJQIICBOEMS-IXDOHACOSA-N 2 2 350.507 0.942 10 30 FCEELP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483650864 1196834956 /nfs/dbraw/zinc/83/49/56/1196834956.db2.gz JBIZJQIICBOEMS-IXDOHACOSA-N 2 2 350.507 0.942 10 30 FCEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483650864 1196834958 /nfs/dbraw/zinc/83/49/58/1196834958.db2.gz JBIZJQIICBOEMS-IXDOHACOSA-N 2 2 350.507 0.942 10 30 FCEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483650864 1196834960 /nfs/dbraw/zinc/83/49/60/1196834960.db2.gz JBIZJQIICBOEMS-IXDOHACOSA-N 2 2 350.507 0.942 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001489261636 1208701309 /nfs/dbraw/zinc/70/13/09/1208701309.db2.gz CZWJIJKMXAVCFI-OAGGEKHMSA-N 2 2 359.474 0.725 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001489261636 1208701314 /nfs/dbraw/zinc/70/13/14/1208701314.db2.gz CZWJIJKMXAVCFI-OAGGEKHMSA-N 2 2 359.474 0.725 10 30 FCEELP CC#CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001490378857 1209329487 /nfs/dbraw/zinc/32/94/87/1209329487.db2.gz OVMQPMOQMFRTTE-MOPGFXCFSA-N 2 2 363.502 0.860 10 30 FCEELP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001490378857 1209329490 /nfs/dbraw/zinc/32/94/90/1209329490.db2.gz OVMQPMOQMFRTTE-MOPGFXCFSA-N 2 2 363.502 0.860 10 30 FCEELP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000866662457 1210001178 /nfs/dbraw/zinc/00/11/78/1210001178.db2.gz TZHHCODCMOGASR-MSOLQXFVSA-N 2 2 370.453 0.916 10 30 FCEELP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000866662457 1210001179 /nfs/dbraw/zinc/00/11/79/1210001179.db2.gz TZHHCODCMOGASR-MSOLQXFVSA-N 2 2 370.453 0.916 10 30 FCEELP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867970929 1210037822 /nfs/dbraw/zinc/03/78/22/1210037822.db2.gz KYUXZMDVFWDIMN-IRXDYDNUSA-N 2 2 350.426 0.652 10 30 FCEELP C#CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001264504530 1260377355 /nfs/dbraw/zinc/37/73/55/1260377355.db2.gz XNFTUDVSTBRFGK-ZWKOTPCHSA-N 2 2 354.458 0.694 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001286482472 1261937967 /nfs/dbraw/zinc/93/79/67/1261937967.db2.gz RWFKUKMMZXAYBX-QGZVFWFLSA-N 2 2 367.501 0.969 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC[N@@H+]1CC(=O)NCC#N ZINC001479647584 1263302690 /nfs/dbraw/zinc/30/26/90/1263302690.db2.gz VAIDZTPPBLCERY-LZLYRXPVSA-N 2 2 363.506 0.716 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC[N@H+]1CC(=O)NCC#N ZINC001479647584 1263302697 /nfs/dbraw/zinc/30/26/97/1263302697.db2.gz VAIDZTPPBLCERY-LZLYRXPVSA-N 2 2 363.506 0.716 10 30 FCEELP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001316644863 1263394281 /nfs/dbraw/zinc/39/42/81/1263394281.db2.gz YBUFYUVTTQUXFT-ZWKOTPCHSA-N 2 2 371.485 0.551 10 30 FCEELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001316644863 1263394292 /nfs/dbraw/zinc/39/42/92/1263394292.db2.gz YBUFYUVTTQUXFT-ZWKOTPCHSA-N 2 2 371.485 0.551 10 30 FCEELP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001316644863 1263394301 /nfs/dbraw/zinc/39/43/01/1263394301.db2.gz YBUFYUVTTQUXFT-ZWKOTPCHSA-N 2 2 371.485 0.551 10 30 FCEELP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001316644863 1263394313 /nfs/dbraw/zinc/39/43/13/1263394313.db2.gz YBUFYUVTTQUXFT-ZWKOTPCHSA-N 2 2 371.485 0.551 10 30 FCEELP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001316760898 1263465828 /nfs/dbraw/zinc/46/58/28/1263465828.db2.gz QYOUPWBLMFQVQP-KURKYZTESA-N 2 2 371.485 0.582 10 30 FCEELP 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10 30 FCEELP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001330662306 1266078505 /nfs/dbraw/zinc/07/85/05/1266078505.db2.gz MRRJHJUTFZBNMD-RFBLXINOSA-N 2 2 357.458 0.146 10 30 FCEELP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC001332404367 1266396185 /nfs/dbraw/zinc/39/61/85/1266396185.db2.gz HSEFFFHJTNGTTN-SQNIBIBYSA-N 2 2 363.502 0.716 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001286479869 1261937704 /nfs/dbraw/zinc/93/77/04/1261937704.db2.gz OXCAXRAYTUCMGI-SFHVURJKSA-N 2 2 372.517 0.758 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001286479869 1261937708 /nfs/dbraw/zinc/93/77/08/1261937708.db2.gz OXCAXRAYTUCMGI-SFHVURJKSA-N 2 2 372.517 0.758 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001286481585 1261937855 /nfs/dbraw/zinc/93/78/55/1261937855.db2.gz GMNFIAHQHVPJDK-QGZVFWFLSA-N 2 2 367.501 0.969 10 30 FCEELP 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/nfs/dbraw/zinc/41/50/74/1288415074.db2.gz ODFSOMHJKLTHDM-KRWDZBQOSA-N 2 2 358.490 0.633 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001725612671 1288473117 /nfs/dbraw/zinc/47/31/17/1288473117.db2.gz ZWBXDQZFICKBQM-YVTWGWGSSA-N 2 2 371.485 0.939 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001725612671 1288473121 /nfs/dbraw/zinc/47/31/21/1288473121.db2.gz ZWBXDQZFICKBQM-YVTWGWGSSA-N 2 2 371.485 0.939 10 30 FCEELP C#CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC001278915726 862568341 /nfs/dbraw/zinc/56/83/41/862568341.db2.gz ZFYFCLAYZFVUND-MSOLQXFVSA-N 2 2 351.491 0.668 10 30 FCEELP C#CC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC001278915726 862568349 /nfs/dbraw/zinc/56/83/49/862568349.db2.gz ZFYFCLAYZFVUND-MSOLQXFVSA-N 2 2 351.491 0.668 10 30 FCEELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328895499 488947760 /nfs/dbraw/zinc/94/77/60/488947760.db2.gz VGWDZJQKTIQIDD-IKGGRYGDSA-N 2 2 353.511 0.331 10 30 FCEELP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328895499 488947762 /nfs/dbraw/zinc/94/77/62/488947762.db2.gz VGWDZJQKTIQIDD-IKGGRYGDSA-N 2 2 353.511 0.331 10 30 FCEELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@@H]21 ZINC000329099171 488969063 /nfs/dbraw/zinc/96/90/63/488969063.db2.gz YYWOSQJZTORJOV-VSZNYVQBSA-N 2 2 366.506 0.683 10 30 FCEELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@@H]21 ZINC000329099171 488969067 /nfs/dbraw/zinc/96/90/67/488969067.db2.gz YYWOSQJZTORJOV-VSZNYVQBSA-N 2 2 366.506 0.683 10 30 FCEELP C[C@H]1C[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000329887259 489044997 /nfs/dbraw/zinc/04/49/97/489044997.db2.gz XEIGQQYIPAJRLZ-JYJNAYRXSA-N 2 2 352.479 0.606 10 30 FCEELP C[C@H]1C[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000329887259 489044999 /nfs/dbraw/zinc/04/49/99/489044999.db2.gz XEIGQQYIPAJRLZ-JYJNAYRXSA-N 2 2 352.479 0.606 10 30 FCEELP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000544874699 490984719 /nfs/dbraw/zinc/98/47/19/490984719.db2.gz AMUJNOZKEPLECS-INIZCTEOSA-N 2 2 370.457 0.154 10 30 FCEELP C=CCn1cc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1 ZINC000581881028 491788503 /nfs/dbraw/zinc/78/85/03/491788503.db2.gz WVQHMQYGAKMTEZ-JWTNVVGKSA-N 2 2 373.505 0.917 10 30 FCEELP C=CCn1cc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nn1 ZINC000581881028 491788505 /nfs/dbraw/zinc/78/85/05/491788505.db2.gz WVQHMQYGAKMTEZ-JWTNVVGKSA-N 2 2 373.505 0.917 10 30 FCEELP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ncc1C#N ZINC000595109151 491884315 /nfs/dbraw/zinc/88/43/15/491884315.db2.gz URXALQPHAWITOH-AWEZNQCLSA-N 2 2 360.462 0.588 10 30 FCEELP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ncc1C#N ZINC000595109151 491884317 /nfs/dbraw/zinc/88/43/17/491884317.db2.gz URXALQPHAWITOH-AWEZNQCLSA-N 2 2 360.462 0.588 10 30 FCEELP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599319145 492159507 /nfs/dbraw/zinc/15/95/07/492159507.db2.gz KMKJPXUFMGDODK-SJORKVTESA-N 2 2 364.490 0.296 10 30 FCEELP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599319145 492159508 /nfs/dbraw/zinc/15/95/08/492159508.db2.gz KMKJPXUFMGDODK-SJORKVTESA-N 2 2 364.490 0.296 10 30 FCEELP C[NH+]=C(NCC(C)(C)[NH+]1CCOCC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261773383 526348764 /nfs/dbraw/zinc/34/87/64/526348764.db2.gz OGMMKWNFWAHTFI-INIZCTEOSA-N 2 2 364.494 0.480 10 30 FCEELP C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000130454356 526351203 /nfs/dbraw/zinc/35/12/03/526351203.db2.gz JBJVWZLMHYSWAW-HNNXBMFYSA-N 2 2 356.536 0.881 10 30 FCEELP C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001481516516 1186217689 /nfs/dbraw/zinc/21/76/89/1186217689.db2.gz VNUYYBCYPVXAOT-USXIJHARSA-N 2 2 371.485 0.822 10 30 FCEELP C#CCNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001481516516 1186217699 /nfs/dbraw/zinc/21/76/99/1186217699.db2.gz VNUYYBCYPVXAOT-USXIJHARSA-N 2 2 371.485 0.822 10 30 FCEELP C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001481516516 1186217705 /nfs/dbraw/zinc/21/77/05/1186217705.db2.gz VNUYYBCYPVXAOT-USXIJHARSA-N 2 2 371.485 0.822 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CC(=O)NCC#N ZINC001489298222 1208729420 /nfs/dbraw/zinc/72/94/20/1208729420.db2.gz WEKKCSRXPYTPDB-PBHICJAKSA-N 2 2 357.458 0.581 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CC(=O)NCC#N ZINC001489298222 1208729424 /nfs/dbraw/zinc/72/94/24/1208729424.db2.gz WEKKCSRXPYTPDB-PBHICJAKSA-N 2 2 357.458 0.581 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@@H+]1CC(=O)NCC#N ZINC001489275266 1208752185 /nfs/dbraw/zinc/75/21/85/1208752185.db2.gz NWDNUKVKVYDFSO-ZBFHGGJFSA-N 2 2 363.506 0.858 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@H+]1CC(=O)NCC#N ZINC001489275266 1208752188 /nfs/dbraw/zinc/75/21/88/1208752188.db2.gz NWDNUKVKVYDFSO-ZBFHGGJFSA-N 2 2 363.506 0.858 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[NH+]1CC(=O)NCC#N ZINC001489275266 1208752189 /nfs/dbraw/zinc/75/21/89/1208752189.db2.gz NWDNUKVKVYDFSO-ZBFHGGJFSA-N 2 2 363.506 0.858 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[NH+]1CC(=O)NCC#N ZINC001489275266 1208752192 /nfs/dbraw/zinc/75/21/92/1208752192.db2.gz NWDNUKVKVYDFSO-ZBFHGGJFSA-N 2 2 363.506 0.858 10 30 FCEELP C#CCNC(=O)[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001275684960 1211273392 /nfs/dbraw/zinc/27/33/92/1211273392.db2.gz MQCNQYQZKYUXEZ-RRFJBIMHSA-N 2 2 359.474 0.725 10 30 FCEELP C#CCNC(=O)[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001275684960 1211273396 /nfs/dbraw/zinc/27/33/96/1211273396.db2.gz MQCNQYQZKYUXEZ-RRFJBIMHSA-N 2 2 359.474 0.725 10 30 FCEELP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001331379035 1266202518 /nfs/dbraw/zinc/20/25/18/1266202518.db2.gz MKCDVNBMGRASJD-CQSZACIVSA-N 2 2 352.398 0.420 10 30 FCEELP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001331379035 1266202521 /nfs/dbraw/zinc/20/25/21/1266202521.db2.gz MKCDVNBMGRASJD-CQSZACIVSA-N 2 2 352.398 0.420 10 30 FCEELP C#CCN(C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC001336581713 1260177937 /nfs/dbraw/zinc/17/79/37/1260177937.db2.gz JXISXRSKFWCUOP-UHFFFAOYSA-N 2 2 357.458 0.672 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001266110758 1260422326 /nfs/dbraw/zinc/42/23/26/1260422326.db2.gz OMBHGYGSBCVQPS-RRFJBIMHSA-N 2 2 358.446 0.086 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001266110758 1260422329 /nfs/dbraw/zinc/42/23/29/1260422329.db2.gz OMBHGYGSBCVQPS-RRFJBIMHSA-N 2 2 358.446 0.086 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001479642999 1263295069 /nfs/dbraw/zinc/29/50/69/1263295069.db2.gz VXJYQOGAJCZJCF-JKSUJKDBSA-N 2 2 359.474 0.725 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001479642999 1263295078 /nfs/dbraw/zinc/29/50/78/1263295078.db2.gz VXJYQOGAJCZJCF-JKSUJKDBSA-N 2 2 359.474 0.725 10 30 FCEELP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001480656219 1263435622 /nfs/dbraw/zinc/43/56/22/1263435622.db2.gz XAKZLEQAMAQFCU-KSZLIROESA-N 2 2 351.491 0.880 10 30 FCEELP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001500378640 1264067831 /nfs/dbraw/zinc/06/78/31/1264067831.db2.gz URSLYODKOCBDAZ-CLCXKQKWSA-N 2 2 359.474 0.654 10 30 FCEELP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001506962700 1264347811 /nfs/dbraw/zinc/34/78/11/1264347811.db2.gz ZFEFGFBQTLHPOD-MOPGFXCFSA-N 2 2 363.502 0.812 10 30 FCEELP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001506962700 1264347815 /nfs/dbraw/zinc/34/78/15/1264347815.db2.gz ZFEFGFBQTLHPOD-MOPGFXCFSA-N 2 2 363.502 0.812 10 30 FCEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC001327622409 1265378094 /nfs/dbraw/zinc/37/80/94/1265378094.db2.gz CZVKYMDUGHEXDM-UHFFFAOYSA-N 2 2 357.458 0.447 10 30 FCEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC001327622409 1265378104 /nfs/dbraw/zinc/37/81/04/1265378104.db2.gz CZVKYMDUGHEXDM-UHFFFAOYSA-N 2 2 357.458 0.447 10 30 FCEELP C=CCn1c(C[NH+]2CCC(C(N)=O)CC2)nnc1N1CC[NH+](CC)CC1 ZINC001340747024 1268643711 /nfs/dbraw/zinc/64/37/11/1268643711.db2.gz SPNYVJNGTVXBIB-UHFFFAOYSA-N 2 2 361.494 0.303 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CC(=O)NCC#N ZINC001566028694 1269565434 /nfs/dbraw/zinc/56/54/34/1269565434.db2.gz BFXGZYSFRHNFMD-ZWKOTPCHSA-N 2 2 371.485 0.971 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CC(=O)NCC#N ZINC001566028694 1269565438 /nfs/dbraw/zinc/56/54/38/1269565438.db2.gz BFXGZYSFRHNFMD-ZWKOTPCHSA-N 2 2 371.485 0.971 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001566050096 1269582720 /nfs/dbraw/zinc/58/27/20/1269582720.db2.gz CUEOTIJONICHHE-BBWFWOEESA-N 2 2 357.458 0.364 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001566050096 1269582721 /nfs/dbraw/zinc/58/27/21/1269582721.db2.gz CUEOTIJONICHHE-BBWFWOEESA-N 2 2 357.458 0.364 10 30 FCEELP CN(C[C@H](O)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001571582912 1269940391 /nfs/dbraw/zinc/94/03/91/1269940391.db2.gz PYVAXHDEXXBNOK-BRWVUGGUSA-N 2 2 353.426 0.994 10 30 FCEELP CN(C[C@H](O)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001571582912 1269940397 /nfs/dbraw/zinc/94/03/97/1269940397.db2.gz PYVAXHDEXXBNOK-BRWVUGGUSA-N 2 2 353.426 0.994 10 30 FCEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)C(C)C ZINC001574285587 1271158968 /nfs/dbraw/zinc/15/89/68/1271158968.db2.gz RCTRXXHVOANZPR-OWSLCNJRSA-N 2 2 360.502 0.672 10 30 FCEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+](C)C(C)C ZINC001574285587 1271158970 /nfs/dbraw/zinc/15/89/70/1271158970.db2.gz RCTRXXHVOANZPR-OWSLCNJRSA-N 2 2 360.502 0.672 10 30 FCEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+](C)C(C)C ZINC001574285587 1271158978 /nfs/dbraw/zinc/15/89/78/1271158978.db2.gz RCTRXXHVOANZPR-OWSLCNJRSA-N 2 2 360.502 0.672 10 30 FCEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+](C)C(C)C ZINC001574285587 1271158981 /nfs/dbraw/zinc/15/89/81/1271158981.db2.gz RCTRXXHVOANZPR-OWSLCNJRSA-N 2 2 360.502 0.672 10 30 FCEELP C=CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001715867361 1287363298 /nfs/dbraw/zinc/36/32/98/1287363298.db2.gz CFLZYCCSXSSDHW-LDUWWUQZSA-N 2 2 357.458 0.573 10 30 FCEELP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001717012990 1287401553 /nfs/dbraw/zinc/40/15/53/1287401553.db2.gz SRVZWCSOZZSIIJ-NQNKBUKLSA-N 2 2 371.485 0.605 10 30 FCEELP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001717012990 1287401563 /nfs/dbraw/zinc/40/15/63/1287401563.db2.gz SRVZWCSOZZSIIJ-NQNKBUKLSA-N 2 2 371.485 0.605 10 30 FCEELP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC001717900149 1287441394 /nfs/dbraw/zinc/44/13/94/1287441394.db2.gz CGOAXWLMMBQIKI-IIAWOOMASA-N 2 2 359.474 0.652 10 30 FCEELP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001724851097 1288452425 /nfs/dbraw/zinc/45/24/25/1288452425.db2.gz FHPBJDHAHDECBY-MSOLQXFVSA-N 2 2 351.491 0.670 10 30 FCEELP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001724851097 1288452427 /nfs/dbraw/zinc/45/24/27/1288452427.db2.gz FHPBJDHAHDECBY-MSOLQXFVSA-N 2 2 351.491 0.670 10 30 FCEELP CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001731314436 1288551547 /nfs/dbraw/zinc/55/15/47/1288551547.db2.gz JQRDMCATHOKIFZ-MSOLQXFVSA-N 2 2 351.491 0.718 10 30 FCEELP CC#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001731314436 1288551550 /nfs/dbraw/zinc/55/15/50/1288551550.db2.gz JQRDMCATHOKIFZ-MSOLQXFVSA-N 2 2 351.491 0.718 10 30 FCEELP N#Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1F ZINC001732643473 1288587548 /nfs/dbraw/zinc/58/75/48/1288587548.db2.gz GNHUNKBUMMFRIN-RRFJBIMHSA-N 2 2 357.389 0.791 10 30 FCEELP N#Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1F ZINC001732643473 1288587552 /nfs/dbraw/zinc/58/75/52/1288587552.db2.gz GNHUNKBUMMFRIN-RRFJBIMHSA-N 2 2 357.389 0.791 10 30 FCEELP COCC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001733908816 1288634753 /nfs/dbraw/zinc/63/47/53/1288634753.db2.gz AHTHOVBEBNYPSP-QZTJIDSGSA-N 2 2 363.502 0.670 10 30 FCEELP COCC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001733908816 1288634764 /nfs/dbraw/zinc/63/47/64/1288634764.db2.gz AHTHOVBEBNYPSP-QZTJIDSGSA-N 2 2 363.502 0.670 10 30 FCEELP COCC#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001733908816 1288634772 /nfs/dbraw/zinc/63/47/72/1288634772.db2.gz AHTHOVBEBNYPSP-QZTJIDSGSA-N 2 2 363.502 0.670 10 30 FCEELP COCC#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001733908816 1288634782 /nfs/dbraw/zinc/63/47/82/1288634782.db2.gz AHTHOVBEBNYPSP-QZTJIDSGSA-N 2 2 363.502 0.670 10 30 FCEELP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001676238614 1292198021 /nfs/dbraw/zinc/19/80/21/1292198021.db2.gz IBTWQXWKYXWAOT-QYZOEREBSA-N 2 2 363.502 0.716 10 30 FCEELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000328884245 488946629 /nfs/dbraw/zinc/94/66/29/488946629.db2.gz NSWZXKDJEPHGGS-RYQLBKOJSA-N 2 2 366.506 0.806 10 30 FCEELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000328884245 488946632 /nfs/dbraw/zinc/94/66/32/488946632.db2.gz NSWZXKDJEPHGGS-RYQLBKOJSA-N 2 2 366.506 0.806 10 30 FCEELP C[NH+](C)CCNC(=O)Cn1cc(NCc2c[nH+]c3ccc(C#N)cn23)cn1 ZINC000183909879 488393951 /nfs/dbraw/zinc/39/39/51/488393951.db2.gz VFNQCGQJUIAELV-UHFFFAOYSA-N 2 2 366.429 0.692 10 30 FCEELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000329407800 489002255 /nfs/dbraw/zinc/00/22/55/489002255.db2.gz BFQFLZXBSXBMMD-UHFFFAOYSA-N 2 2 365.478 0.895 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH+]1CCCC2(CCC[N@@H+]([C@H](C)C(=O)NCC#C)C2)C1 ZINC000289506918 489072680 /nfs/dbraw/zinc/07/26/80/489072680.db2.gz QNTNXYDYRXKCSH-FYQIFJIOSA-N 2 2 372.513 0.440 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH+]1CCCC2(CCC[N@H+]([C@H](C)C(=O)NCC#C)C2)C1 ZINC000289506918 489072681 /nfs/dbraw/zinc/07/26/81/489072681.db2.gz QNTNXYDYRXKCSH-FYQIFJIOSA-N 2 2 372.513 0.440 10 30 FCEELP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)C[C@@]2(CCOC2)O1 ZINC000367456720 489207037 /nfs/dbraw/zinc/20/70/37/489207037.db2.gz CQVVRJGHCNPVGM-IYWMVGAKSA-N 2 2 364.486 0.749 10 30 FCEELP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)C[C@@]2(CCOC2)O1 ZINC000367456720 489207039 /nfs/dbraw/zinc/20/70/39/489207039.db2.gz CQVVRJGHCNPVGM-IYWMVGAKSA-N 2 2 364.486 0.749 10 30 FCEELP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](C)O[C@]3(CCOC3)C2)C[C@@]2(CCOC2)O1 ZINC000367456720 489207043 /nfs/dbraw/zinc/20/70/43/489207043.db2.gz CQVVRJGHCNPVGM-IYWMVGAKSA-N 2 2 364.486 0.749 10 30 FCEELP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)O[C@]3(CCOC3)C2)C[C@@]2(CCOC2)O1 ZINC000367456720 489207044 /nfs/dbraw/zinc/20/70/44/489207044.db2.gz CQVVRJGHCNPVGM-IYWMVGAKSA-N 2 2 364.486 0.749 10 30 FCEELP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000557731961 491394036 /nfs/dbraw/zinc/39/40/36/491394036.db2.gz ZKEOEDLKMLPQFZ-UHFFFAOYSA-N 2 2 371.485 0.805 10 30 FCEELP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595124796 491886076 /nfs/dbraw/zinc/88/60/76/491886076.db2.gz VJFLRXXNMHLPNM-UHFFFAOYSA-N 2 2 369.469 0.222 10 30 FCEELP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595278967 491912059 /nfs/dbraw/zinc/91/20/59/491912059.db2.gz VEURWQKKYITDME-GOSISDBHSA-N 2 2 371.485 0.692 10 30 FCEELP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000596067765 491974234 /nfs/dbraw/zinc/97/42/34/491974234.db2.gz AKMVSZYLHPRGGN-PMACEKPBSA-N 2 2 359.518 0.599 10 30 FCEELP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000596067765 491974236 /nfs/dbraw/zinc/97/42/36/491974236.db2.gz AKMVSZYLHPRGGN-PMACEKPBSA-N 2 2 359.518 0.599 10 30 FCEELP CN1CCCC[C@@H]([NH+](C)CC#CC[N@@H+](C)[C@@H]2CCCCN(C)C2=O)C1=O ZINC000634743352 492366525 /nfs/dbraw/zinc/36/65/25/492366525.db2.gz QYXBUSHWBPXNGJ-QZTJIDSGSA-N 2 2 362.518 0.875 10 30 FCEELP CN1CCCC[C@@H]([NH+](C)CC#CC[N@H+](C)[C@@H]2CCCCN(C)C2=O)C1=O ZINC000634743352 492366531 /nfs/dbraw/zinc/36/65/31/492366531.db2.gz QYXBUSHWBPXNGJ-QZTJIDSGSA-N 2 2 362.518 0.875 10 30 FCEELP C=CCCn1cc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)nn1 ZINC000655940365 492493063 /nfs/dbraw/zinc/49/30/63/492493063.db2.gz SFTHWPFJWVHMSI-DLBZAZTESA-N 2 2 359.478 0.574 10 30 FCEELP C=CCCn1cc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)nn1 ZINC000655940365 492493067 /nfs/dbraw/zinc/49/30/67/492493067.db2.gz SFTHWPFJWVHMSI-DLBZAZTESA-N 2 2 359.478 0.574 10 30 FCEELP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262447687 526346040 /nfs/dbraw/zinc/34/60/40/526346040.db2.gz JFQQMGPYJKVSBK-KRWDZBQOSA-N 2 2 371.485 0.558 10 30 FCEELP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261833140 526357421 /nfs/dbraw/zinc/35/74/21/526357421.db2.gz VSUXRSMGDQJYIL-INIZCTEOSA-N 2 2 364.494 0.480 10 30 FCEELP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261833140 526357422 /nfs/dbraw/zinc/35/74/22/526357422.db2.gz VSUXRSMGDQJYIL-INIZCTEOSA-N 2 2 364.494 0.480 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158946966 526373497 /nfs/dbraw/zinc/37/34/97/526373497.db2.gz AFHMGDUWEPRKGV-ZIAGYGMSSA-N 2 2 366.897 0.809 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158946966 526373503 /nfs/dbraw/zinc/37/35/03/526373503.db2.gz AFHMGDUWEPRKGV-ZIAGYGMSSA-N 2 2 366.897 0.809 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000179203568 526373698 /nfs/dbraw/zinc/37/36/98/526373698.db2.gz PPGXIVFYIZWAQQ-OAHLLOKOSA-N 2 2 374.551 0.428 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000179203568 526373701 /nfs/dbraw/zinc/37/37/01/526373701.db2.gz PPGXIVFYIZWAQQ-OAHLLOKOSA-N 2 2 374.551 0.428 10 30 FCEELP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000263199602 529101331 /nfs/dbraw/zinc/10/13/31/529101331.db2.gz XAJBLGIKFWPHMV-KBPBESRZSA-N 2 2 350.488 0.946 10 30 FCEELP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000263199602 529101341 /nfs/dbraw/zinc/10/13/41/529101341.db2.gz XAJBLGIKFWPHMV-KBPBESRZSA-N 2 2 350.488 0.946 10 30 FCEELP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000876744212 672976640 /nfs/dbraw/zinc/97/66/40/672976640.db2.gz AFKCHBGRYPMQAA-CQSZACIVSA-N 2 2 365.865 0.706 10 30 FCEELP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267135460 1171867994 /nfs/dbraw/zinc/86/79/94/1171867994.db2.gz JWRVRUMAUMPHHJ-KSZLIROESA-N 2 2 367.490 0.000 10 30 FCEELP C#CCN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000910886856 1195858005 /nfs/dbraw/zinc/85/80/05/1195858005.db2.gz WVTNFGAVNMGTKF-UHFFFAOYSA-N 2 2 369.469 0.286 10 30 FCEELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)CC1 ZINC000734283367 1197745713 /nfs/dbraw/zinc/74/57/13/1197745713.db2.gz IVBSJOCSSIBWGK-CRAIPNDOSA-N 2 2 360.506 0.537 10 30 FCEELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)CC1 ZINC000734283367 1197745722 /nfs/dbraw/zinc/74/57/22/1197745722.db2.gz IVBSJOCSSIBWGK-CRAIPNDOSA-N 2 2 360.506 0.537 10 30 FCEELP C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000847022042 1204678597 /nfs/dbraw/zinc/67/85/97/1204678597.db2.gz RNKXKQOKTQHJGG-HNNXBMFYSA-N 2 2 367.457 0.357 10 30 FCEELP C#C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000847022042 1204678599 /nfs/dbraw/zinc/67/85/99/1204678599.db2.gz RNKXKQOKTQHJGG-HNNXBMFYSA-N 2 2 367.457 0.357 10 30 FCEELP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001489077857 1208620078 /nfs/dbraw/zinc/62/00/78/1208620078.db2.gz JKAYDKTZGWATGN-ZIAGYGMSSA-N 2 2 354.414 0.449 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001489261637 1208701714 /nfs/dbraw/zinc/70/17/14/1208701714.db2.gz CZWJIJKMXAVCFI-XHSDSOJGSA-N 2 2 359.474 0.725 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001489261637 1208701717 /nfs/dbraw/zinc/70/17/17/1208701717.db2.gz CZWJIJKMXAVCFI-XHSDSOJGSA-N 2 2 359.474 0.725 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001489271325 1208748563 /nfs/dbraw/zinc/74/85/63/1208748563.db2.gz IIBYMSYZNICNEB-NJAFHUGGSA-N 2 2 360.502 0.722 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001489271325 1208748568 /nfs/dbraw/zinc/74/85/68/1208748568.db2.gz IIBYMSYZNICNEB-NJAFHUGGSA-N 2 2 360.502 0.722 10 30 FCEELP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001489271325 1208748575 /nfs/dbraw/zinc/74/85/75/1208748575.db2.gz IIBYMSYZNICNEB-NJAFHUGGSA-N 2 2 360.502 0.722 10 30 FCEELP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001489271325 1208748578 /nfs/dbraw/zinc/74/85/78/1208748578.db2.gz IIBYMSYZNICNEB-NJAFHUGGSA-N 2 2 360.502 0.722 10 30 FCEELP O=C(C#CC1CC[NH2+]CC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852863437 1209568269 /nfs/dbraw/zinc/56/82/69/1209568269.db2.gz FODUBAUWKIMSIV-UHFFFAOYSA-N 2 2 369.469 0.240 10 30 FCEELP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000866662459 1210001016 /nfs/dbraw/zinc/00/10/16/1210001016.db2.gz TZHHCODCMOGASR-ROUUACIJSA-N 2 2 370.453 0.916 10 30 FCEELP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000866662459 1210001020 /nfs/dbraw/zinc/00/10/20/1210001020.db2.gz TZHHCODCMOGASR-ROUUACIJSA-N 2 2 370.453 0.916 10 30 FCEELP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC001329750329 1265830105 /nfs/dbraw/zinc/83/01/05/1265830105.db2.gz OFEORLMTGFRBLI-QRVBRYPASA-N 2 2 365.518 0.962 10 30 FCEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC001336782837 1260221933 /nfs/dbraw/zinc/22/19/33/1260221933.db2.gz ATAZMZOCCFUJSL-QGZVFWFLSA-N 2 2 356.426 0.551 10 30 FCEELP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001272978513 1260548551 /nfs/dbraw/zinc/54/85/51/1260548551.db2.gz CEQCTEBCFGFGRK-QRVBRYPASA-N 2 2 363.502 0.860 10 30 FCEELP CN(C[C@@H](O)C[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284448534 1261757515 /nfs/dbraw/zinc/75/75/15/1261757515.db2.gz PIPCOMLAVZJVGO-IPMKNSEASA-N 2 2 366.465 0.984 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001286471569 1261936715 /nfs/dbraw/zinc/93/67/15/1261936715.db2.gz NIODNFJQQGBUAY-OAHLLOKOSA-N 2 2 361.494 0.122 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001479729883 1263406885 /nfs/dbraw/zinc/40/68/85/1263406885.db2.gz MXWUZTRTTRFCGB-AOIWGVFYSA-N 2 2 362.518 0.825 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001479729883 1263406886 /nfs/dbraw/zinc/40/68/86/1263406886.db2.gz MXWUZTRTTRFCGB-AOIWGVFYSA-N 2 2 362.518 0.825 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CC[N@@H+](C)CCOC)CC1 ZINC001507730141 1264385785 /nfs/dbraw/zinc/38/57/85/1264385785.db2.gz NDRNSTHYEWPQOM-UHFFFAOYSA-N 2 2 362.522 0.810 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CC[N@H+](C)CCOC)CC1 ZINC001507730141 1264385796 /nfs/dbraw/zinc/38/57/96/1264385796.db2.gz NDRNSTHYEWPQOM-UHFFFAOYSA-N 2 2 362.522 0.810 10 30 FCEELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C)(C#N)CC3)C2)CC1 ZINC001323432044 1264428704 /nfs/dbraw/zinc/42/87/04/1264428704.db2.gz MLRQMQJDEAIVQG-OAHLLOKOSA-N 2 2 361.490 0.423 10 30 FCEELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C)(C#N)CC3)C2)CC1 ZINC001323432044 1264428708 /nfs/dbraw/zinc/42/87/08/1264428708.db2.gz MLRQMQJDEAIVQG-OAHLLOKOSA-N 2 2 361.490 0.423 10 30 FCEELP C#CC[NH+]1CCC(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC001341342075 1268945734 /nfs/dbraw/zinc/94/57/34/1268945734.db2.gz AUTBKRPDSAJVBW-UHFFFAOYSA-N 2 2 360.462 0.434 10 30 FCEELP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)[C@@H]1C)c1ccccc1 ZINC001566109379 1269610810 /nfs/dbraw/zinc/61/08/10/1269610810.db2.gz LEJFVQMFMMESPQ-HHXXYDBFSA-N 2 2 371.485 0.898 10 30 FCEELP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)[C@@H]1C)c1ccccc1 ZINC001566109379 1269610817 /nfs/dbraw/zinc/61/08/17/1269610817.db2.gz LEJFVQMFMMESPQ-HHXXYDBFSA-N 2 2 371.485 0.898 10 30 FCEELP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C)c1ccccc1 ZINC001566109379 1269610823 /nfs/dbraw/zinc/61/08/23/1269610823.db2.gz LEJFVQMFMMESPQ-HHXXYDBFSA-N 2 2 371.485 0.898 10 30 FCEELP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C)c1ccccc1 ZINC001566109379 1269610824 /nfs/dbraw/zinc/61/08/24/1269610824.db2.gz LEJFVQMFMMESPQ-HHXXYDBFSA-N 2 2 371.485 0.898 10 30 FCEELP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC001716822472 1287391126 /nfs/dbraw/zinc/39/11/26/1287391126.db2.gz NDNWWPDWQFCKSY-BRWVUGGUSA-N 2 2 371.485 0.538 10 30 FCEELP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001724957518 1288456091 /nfs/dbraw/zinc/45/60/91/1288456091.db2.gz AKCOLLYOXXBGLR-MSOLQXFVSA-N 2 2 363.502 0.860 10 30 FCEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001702262571 1289925427 /nfs/dbraw/zinc/92/54/27/1289925427.db2.gz OATPGFYETJXXQM-KURKYZTESA-N 2 2 371.485 0.724 10 30 FCEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001702262571 1289925432 /nfs/dbraw/zinc/92/54/32/1289925432.db2.gz OATPGFYETJXXQM-KURKYZTESA-N 2 2 371.485 0.724 10 30 FCEELP C#CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001656248043 1291501477 /nfs/dbraw/zinc/50/14/77/1291501477.db2.gz CMWYRWOLQBOJAA-IPMKNSEASA-N 2 2 368.481 0.414 10 30 FCEELP C#CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001656248043 1291501480 /nfs/dbraw/zinc/50/14/80/1291501480.db2.gz CMWYRWOLQBOJAA-IPMKNSEASA-N 2 2 368.481 0.414 10 30 FCEELP C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001656248043 1291501486 /nfs/dbraw/zinc/50/14/86/1291501486.db2.gz CMWYRWOLQBOJAA-IPMKNSEASA-N 2 2 368.481 0.414 10 30 FCEELP C#CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001656248043 1291501491 /nfs/dbraw/zinc/50/14/91/1291501491.db2.gz CMWYRWOLQBOJAA-IPMKNSEASA-N 2 2 368.481 0.414 10 30 FCEELP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001662664723 1291730471 /nfs/dbraw/zinc/73/04/71/1291730471.db2.gz FMOIXBWZHBAZRC-KSZLIROESA-N 2 2 351.491 0.880 10 30 FCEELP CN(C)C(=O)CNC(=[NH+]C1CCCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262341218 229303205 /nfs/dbraw/zinc/30/32/05/229303205.db2.gz XCKRODPJWZAGTJ-QGZVFWFLSA-N 2 2 365.522 0.759 10 30 FCEELP C[N@H+](CCCN1CC[NH+](C)CC1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000182965343 488390320 /nfs/dbraw/zinc/39/03/20/488390320.db2.gz LTMNNAJMMCRZEY-UHFFFAOYSA-N 2 2 364.515 0.901 10 30 FCEELP C[N@@H+](CCCN1CC[NH+](C)CC1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000182965343 488390321 /nfs/dbraw/zinc/39/03/21/488390321.db2.gz LTMNNAJMMCRZEY-UHFFFAOYSA-N 2 2 364.515 0.901 10 30 FCEELP NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC#CC[NH+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000375271691 489712310 /nfs/dbraw/zinc/71/23/10/489712310.db2.gz FGCNARXYDGIOFW-NWCWSAAOSA-N 2 2 358.486 0.161 10 30 FCEELP NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC#CC[NH+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000375271691 489712312 /nfs/dbraw/zinc/71/23/12/489712312.db2.gz FGCNARXYDGIOFW-NWCWSAAOSA-N 2 2 358.486 0.161 10 30 FCEELP NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[NH+]1CC#CC[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000375271691 489712314 /nfs/dbraw/zinc/71/23/14/489712314.db2.gz FGCNARXYDGIOFW-NWCWSAAOSA-N 2 2 358.486 0.161 10 30 FCEELP NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[NH+]1CC#CC[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000375271691 489712316 /nfs/dbraw/zinc/71/23/16/489712316.db2.gz FGCNARXYDGIOFW-NWCWSAAOSA-N 2 2 358.486 0.161 10 30 FCEELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420144797 489929333 /nfs/dbraw/zinc/92/93/33/489929333.db2.gz NVZRPGCEICUTAF-CRAIPNDOSA-N 2 2 369.469 0.317 10 30 FCEELP C=CCNC(=O)CN1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420910036 490032036 /nfs/dbraw/zinc/03/20/36/490032036.db2.gz ZESIUOWOLZCPNJ-UHFFFAOYSA-N 2 2 372.513 0.939 10 30 FCEELP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000556244041 491305693 /nfs/dbraw/zinc/30/56/93/491305693.db2.gz VMVDUIPGHBRBGJ-UHFFFAOYSA-N 2 2 371.485 0.933 10 30 FCEELP COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000556617987 491322789 /nfs/dbraw/zinc/32/27/89/491322789.db2.gz SBSBXXFVYFXCCY-UHFFFAOYSA-N 2 2 370.457 0.428 10 30 FCEELP N#CC1(C[C@H](O)C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000528388827 490793461 /nfs/dbraw/zinc/79/34/61/490793461.db2.gz RIEFTMIGXJAEHK-INIZCTEOSA-N 2 2 372.473 0.490 10 30 FCEELP N#CC1(C[C@@H](O)C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000528388840 490793624 /nfs/dbraw/zinc/79/36/24/490793624.db2.gz RIEFTMIGXJAEHK-MRXNPFEDSA-N 2 2 372.473 0.490 10 30 FCEELP N#CC1(C[C@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CCOCC1 ZINC000599284186 492154294 /nfs/dbraw/zinc/15/42/94/492154294.db2.gz NJGTZCYLHZUDLX-KRWDZBQOSA-N 2 2 364.490 0.298 10 30 FCEELP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000262777217 526360166 /nfs/dbraw/zinc/36/01/66/526360166.db2.gz JOBGRUGJJAUYCE-OAHLLOKOSA-N 2 2 365.551 0.603 10 30 FCEELP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261710920 526388142 /nfs/dbraw/zinc/38/81/42/526388142.db2.gz JZTYSJBSUNBCEU-MRXNPFEDSA-N 3 2 360.506 0.949 10 30 FCEELP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231394 526608826 /nfs/dbraw/zinc/60/88/26/526608826.db2.gz MJEUCIQFEFWCDW-HOTGVXAUSA-N 2 2 351.495 0.489 10 30 FCEELP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231394 526608829 /nfs/dbraw/zinc/60/88/29/526608829.db2.gz MJEUCIQFEFWCDW-HOTGVXAUSA-N 2 2 351.495 0.489 10 30 FCEELP CC[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175525184 528805931 /nfs/dbraw/zinc/80/59/31/528805931.db2.gz DCPHWEAXQBTDCA-KRWDZBQOSA-N 2 2 367.538 0.469 10 30 FCEELP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262803807 528806268 /nfs/dbraw/zinc/80/62/68/528806268.db2.gz RZDBYELGXOKKEU-MRXNPFEDSA-N 2 2 355.552 0.407 10 30 FCEELP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261780305 528814576 /nfs/dbraw/zinc/81/45/76/528814576.db2.gz FJVSMAARTXFTNZ-HNNXBMFYSA-N 2 2 353.511 0.614 10 30 FCEELP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261780305 528814582 /nfs/dbraw/zinc/81/45/82/528814582.db2.gz FJVSMAARTXFTNZ-HNNXBMFYSA-N 2 2 353.511 0.614 10 30 FCEELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)C1 ZINC000106122524 529055531 /nfs/dbraw/zinc/05/55/31/529055531.db2.gz FIDVKAYUMDADKH-ZWKOTPCHSA-N 2 2 365.522 0.474 10 30 FCEELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)C1 ZINC000106122524 529055534 /nfs/dbraw/zinc/05/55/34/529055534.db2.gz FIDVKAYUMDADKH-ZWKOTPCHSA-N 2 2 365.522 0.474 10 30 FCEELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000594821805 547014332 /nfs/dbraw/zinc/01/43/32/547014332.db2.gz OAKQJVPKCNTDFX-UHFFFAOYSA-N 2 2 369.447 0.628 10 30 FCEELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000594821805 547014334 /nfs/dbraw/zinc/01/43/34/547014334.db2.gz OAKQJVPKCNTDFX-UHFFFAOYSA-N 2 2 369.447 0.628 10 30 FCEELP C#CC[NH+]1CCC(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000914329013 666741614 /nfs/dbraw/zinc/74/16/14/666741614.db2.gz USSUOYXHDBGFLP-SFHVURJKSA-N 2 2 366.531 0.591 10 30 FCEELP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001491165436 1220090179 /nfs/dbraw/zinc/09/01/79/1220090179.db2.gz XFECVQHEVLHJKE-QRVBRYPASA-N 2 2 363.502 0.718 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001277531800 1226110102 /nfs/dbraw/zinc/11/01/02/1226110102.db2.gz TYBXFTPVPWNGTD-JXXFODFXSA-N 2 2 369.469 0.197 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001277531800 1226110103 /nfs/dbraw/zinc/11/01/03/1226110103.db2.gz TYBXFTPVPWNGTD-JXXFODFXSA-N 2 2 369.469 0.197 10 30 FCEELP C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000834746614 1222587275 /nfs/dbraw/zinc/58/72/75/1222587275.db2.gz JWMGCARMPXJMAD-SJORKVTESA-N 2 2 360.502 0.533 10 30 FCEELP C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000834746614 1222587277 /nfs/dbraw/zinc/58/72/77/1222587277.db2.gz JWMGCARMPXJMAD-SJORKVTESA-N 2 2 360.502 0.533 10 30 FCEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 ZINC001328795198 1265615672 /nfs/dbraw/zinc/61/56/72/1265615672.db2.gz XSTQGJPDXORYGQ-QGZVFWFLSA-N 2 2 371.485 0.911 10 30 FCEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 ZINC001328795198 1265615681 /nfs/dbraw/zinc/61/56/81/1265615681.db2.gz XSTQGJPDXORYGQ-QGZVFWFLSA-N 2 2 371.485 0.911 10 30 FCEELP C#C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001329185571 1265708414 /nfs/dbraw/zinc/70/84/14/1265708414.db2.gz BCOMYITXSBDCCU-MRXNPFEDSA-N 2 2 360.502 0.533 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCOCC[NH+](C)C)CC1 ZINC001300695925 1262994563 /nfs/dbraw/zinc/99/45/63/1262994563.db2.gz PUXGCNLVJWSSAI-UHFFFAOYSA-N 2 2 371.489 0.607 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(CC#CCOC)CC2)CC[N@@H+]1C ZINC001479929893 1263417767 /nfs/dbraw/zinc/41/77/67/1263417767.db2.gz AOQPCMSHRSRKDU-ZWKOTPCHSA-N 2 2 350.507 0.100 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(CC#CCOC)CC2)CC[N@H+]1C ZINC001479929893 1263417770 /nfs/dbraw/zinc/41/77/70/1263417770.db2.gz AOQPCMSHRSRKDU-ZWKOTPCHSA-N 2 2 350.507 0.100 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH+](CC#CCOC)CC2)CC[N@@H+]1C ZINC001479929893 1263417776 /nfs/dbraw/zinc/41/77/76/1263417776.db2.gz AOQPCMSHRSRKDU-ZWKOTPCHSA-N 2 2 350.507 0.100 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH+](CC#CCOC)CC2)CC[N@H+]1C ZINC001479929893 1263417783 /nfs/dbraw/zinc/41/77/83/1263417783.db2.gz AOQPCMSHRSRKDU-ZWKOTPCHSA-N 2 2 350.507 0.100 10 30 FCEELP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480394711 1263429499 /nfs/dbraw/zinc/42/94/99/1263429499.db2.gz AFBZTADEXBUEEJ-MMCSFCSJSA-N 2 2 357.458 0.261 10 30 FCEELP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480394711 1263429503 /nfs/dbraw/zinc/42/95/03/1263429503.db2.gz AFBZTADEXBUEEJ-MMCSFCSJSA-N 2 2 357.458 0.261 10 30 FCEELP Cc1c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)[C@@H]2C)ccc2c[nH+]cn21 ZINC001316788330 1263478725 /nfs/dbraw/zinc/47/87/25/1263478725.db2.gz RBVMWZGODVKROM-CJNGLKHVSA-N 2 2 354.414 0.475 10 30 FCEELP Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@@H]2C)ccc2c[nH+]cn21 ZINC001316788330 1263478727 /nfs/dbraw/zinc/47/87/27/1263478727.db2.gz RBVMWZGODVKROM-CJNGLKHVSA-N 2 2 354.414 0.475 10 30 FCEELP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317294372 1263505769 /nfs/dbraw/zinc/50/57/69/1263505769.db2.gz XVYYLJUGHCIBLD-ARFHVFGLSA-N 2 2 359.474 0.654 10 30 FCEELP CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001565927397 1269523328 /nfs/dbraw/zinc/52/33/28/1269523328.db2.gz YRGDAMCLCQZBTP-ZWKOTPCHSA-N 2 2 354.458 0.694 10 30 FCEELP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC001568457670 1269733137 /nfs/dbraw/zinc/73/31/37/1269733137.db2.gz QBJOKLQCRXEZTQ-KURKYZTESA-N 2 2 351.491 0.620 10 30 FCEELP C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)CC1 ZINC001573898653 1270924593 /nfs/dbraw/zinc/92/45/93/1270924593.db2.gz IFASAOKHSPSREI-NVXWUHKLSA-N 2 2 371.485 0.508 10 30 FCEELP C#CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001714315466 1287318598 /nfs/dbraw/zinc/31/85/98/1287318598.db2.gz UHXBXRMPQQKDES-GVDBMIGSSA-N 2 2 371.485 0.491 10 30 FCEELP C#CCNC(=O)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001716910149 1287394302 /nfs/dbraw/zinc/39/43/02/1287394302.db2.gz CWKJRWOYUUKCAL-RBSFLKMASA-N 2 2 370.444 0.149 10 30 FCEELP C#CCNC(=O)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001716910149 1287394307 /nfs/dbraw/zinc/39/43/07/1287394307.db2.gz CWKJRWOYUUKCAL-RBSFLKMASA-N 2 2 370.444 0.149 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001716910149 1287394310 /nfs/dbraw/zinc/39/43/10/1287394310.db2.gz CWKJRWOYUUKCAL-RBSFLKMASA-N 2 2 370.444 0.149 10 30 FCEELP C#CCNC(=O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001716910149 1287394316 /nfs/dbraw/zinc/39/43/16/1287394316.db2.gz CWKJRWOYUUKCAL-RBSFLKMASA-N 2 2 370.444 0.149 10 30 FCEELP C#CC[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001704032449 1286174302 /nfs/dbraw/zinc/17/43/02/1286174302.db2.gz IDZNVEBXSMHUNY-USXIJHARSA-N 2 2 371.485 0.490 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1CC ZINC001707205344 1286513559 /nfs/dbraw/zinc/51/35/59/1286513559.db2.gz XNJKGGHMKRHDTF-RBUKOAKNSA-N 2 2 370.497 0.837 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1CC ZINC001707205344 1286513567 /nfs/dbraw/zinc/51/35/67/1286513567.db2.gz XNJKGGHMKRHDTF-RBUKOAKNSA-N 2 2 370.497 0.837 10 30 FCEELP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1CC ZINC001707205344 1286513572 /nfs/dbraw/zinc/51/35/72/1286513572.db2.gz XNJKGGHMKRHDTF-RBUKOAKNSA-N 2 2 370.497 0.837 10 30 FCEELP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1CC ZINC001707205344 1286513578 /nfs/dbraw/zinc/51/35/78/1286513578.db2.gz XNJKGGHMKRHDTF-RBUKOAKNSA-N 2 2 370.497 0.837 10 30 FCEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001721880824 1288388152 /nfs/dbraw/zinc/38/81/52/1288388152.db2.gz IUBFIJKMXJKEQU-MGJQNXGFSA-N 2 2 369.469 0.410 10 30 FCEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001721880824 1288388161 /nfs/dbraw/zinc/38/81/61/1288388161.db2.gz IUBFIJKMXJKEQU-MGJQNXGFSA-N 2 2 369.469 0.410 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001732657635 1288591419 /nfs/dbraw/zinc/59/14/19/1288591419.db2.gz KDSGIMZJUHNNRG-ARFHVFGLSA-N 2 2 371.416 0.801 10 30 FCEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)CCC ZINC001736560086 1289441981 /nfs/dbraw/zinc/44/19/81/1289441981.db2.gz IQPWRGKYQJYHJC-BDXSIMOUSA-N 2 2 360.502 0.674 10 30 FCEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+](C)CCC ZINC001736560086 1289441987 /nfs/dbraw/zinc/44/19/87/1289441987.db2.gz IQPWRGKYQJYHJC-BDXSIMOUSA-N 2 2 360.502 0.674 10 30 FCEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+](C)CCC ZINC001736560086 1289441991 /nfs/dbraw/zinc/44/19/91/1289441991.db2.gz IQPWRGKYQJYHJC-BDXSIMOUSA-N 2 2 360.502 0.674 10 30 FCEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+](C)CCC ZINC001736560086 1289441994 /nfs/dbraw/zinc/44/19/94/1289441994.db2.gz IQPWRGKYQJYHJC-BDXSIMOUSA-N 2 2 360.502 0.674 10 30 FCEELP Cc1cc(N2CCN(C(=O)C[N+]34CCN(CC3)CC4)CC2)nc(C(C)C)[nH+]1 ZINC000055051128 717130519 /nfs/dbraw/zinc/13/05/19/717130519.db2.gz KXQDUAVRSSEDKN-UHFFFAOYSA-N 2 2 373.525 0.703 10 30 FCEELP N#Cc1ccc2ncc(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2c1 ZINC000178907143 209066360 /nfs/dbraw/zinc/06/63/60/209066360.db2.gz MJZTUGZIFXGMKE-INIZCTEOSA-N 2 2 368.441 0.229 10 30 FCEELP CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262278532 229300329 /nfs/dbraw/zinc/30/03/29/229300329.db2.gz ILQPYWYOCGTHJT-MRXNPFEDSA-N 2 2 351.495 0.369 10 30 FCEELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000329072938 488965783 /nfs/dbraw/zinc/96/57/83/488965783.db2.gz ZTEPNUWAHMWOQT-IKGGRYGDSA-N 2 2 354.495 0.662 10 30 FCEELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000329072938 488965784 /nfs/dbraw/zinc/96/57/84/488965784.db2.gz ZTEPNUWAHMWOQT-IKGGRYGDSA-N 2 2 354.495 0.662 10 30 FCEELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000329072938 488965786 /nfs/dbraw/zinc/96/57/86/488965786.db2.gz ZTEPNUWAHMWOQT-IKGGRYGDSA-N 2 2 354.495 0.662 10 30 FCEELP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000329072938 488965788 /nfs/dbraw/zinc/96/57/88/488965788.db2.gz ZTEPNUWAHMWOQT-IKGGRYGDSA-N 2 2 354.495 0.662 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000247112068 488481691 /nfs/dbraw/zinc/48/16/91/488481691.db2.gz YKTRVMHLIWMDRD-GOEBONIOSA-N 2 2 374.489 0.918 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000247112068 488481693 /nfs/dbraw/zinc/48/16/93/488481693.db2.gz YKTRVMHLIWMDRD-GOEBONIOSA-N 2 2 374.489 0.918 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)o1 ZINC000247112068 488481695 /nfs/dbraw/zinc/48/16/95/488481695.db2.gz YKTRVMHLIWMDRD-GOEBONIOSA-N 2 2 374.489 0.918 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)o1 ZINC000247112068 488481698 /nfs/dbraw/zinc/48/16/98/488481698.db2.gz YKTRVMHLIWMDRD-GOEBONIOSA-N 2 2 374.489 0.918 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)CC2)o1 ZINC000366478189 489187376 /nfs/dbraw/zinc/18/73/76/489187376.db2.gz DCZHIKYKCFNZFV-LJQANCHMSA-N 2 2 372.473 0.531 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)CC2)o1 ZINC000366478189 489187378 /nfs/dbraw/zinc/18/73/78/489187378.db2.gz DCZHIKYKCFNZFV-LJQANCHMSA-N 2 2 372.473 0.531 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)CC2)o1 ZINC000366478189 489187380 /nfs/dbraw/zinc/18/73/80/489187380.db2.gz DCZHIKYKCFNZFV-LJQANCHMSA-N 2 2 372.473 0.531 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)CC2)o1 ZINC000366478189 489187383 /nfs/dbraw/zinc/18/73/83/489187383.db2.gz DCZHIKYKCFNZFV-LJQANCHMSA-N 2 2 372.473 0.531 10 30 FCEELP C[NH+]1CCC(CNC(=O)NCCn2cnc(C#N)n2)([NH+]2CCCCC2)CC1 ZINC000376510482 489745692 /nfs/dbraw/zinc/74/56/92/489745692.db2.gz DBLYCBBTANXGGR-UHFFFAOYSA-N 2 2 374.493 0.399 10 30 FCEELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420144802 489928995 /nfs/dbraw/zinc/92/89/95/489928995.db2.gz NVZRPGCEICUTAF-QAPCUYQASA-N 2 2 369.469 0.317 10 30 FCEELP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000532731787 490101797 /nfs/dbraw/zinc/10/17/97/490101797.db2.gz ZMVXIGMLDWGDET-CYBMUJFWSA-N 2 2 361.450 0.065 10 30 FCEELP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000576816438 491647293 /nfs/dbraw/zinc/64/72/93/491647293.db2.gz AVWNNRWSZRYJNP-OAHLLOKOSA-N 2 2 350.488 0.557 10 30 FCEELP COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C 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C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001707222287 1287066548 /nfs/dbraw/zinc/06/65/48/1287066548.db2.gz RIZINDUMQCKGRP-SJORKVTESA-N 2 2 371.485 0.933 10 30 FCEELP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001707222287 1287066558 /nfs/dbraw/zinc/06/65/58/1287066558.db2.gz RIZINDUMQCKGRP-SJORKVTESA-N 2 2 371.485 0.933 10 30 FCEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001721880823 1288388092 /nfs/dbraw/zinc/38/80/92/1288388092.db2.gz IUBFIJKMXJKEQU-KUFDGEAHSA-N 2 2 369.469 0.410 10 30 FCEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001721880823 1288388099 /nfs/dbraw/zinc/38/80/99/1288388099.db2.gz IUBFIJKMXJKEQU-KUFDGEAHSA-N 2 2 369.469 0.410 10 30 FCEELP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001662664724 1291730465 /nfs/dbraw/zinc/73/04/65/1291730465.db2.gz FMOIXBWZHBAZRC-KURKYZTESA-N 2 2 351.491 0.880 10 30 FCEELP C#CCNC(=O)[C@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001666219164 1291904271 /nfs/dbraw/zinc/90/42/71/1291904271.db2.gz MHEZPGWRTLOKCK-USXIJHARSA-N 2 2 371.485 0.869 10 30 FCEELP C#CCNC(=O)[C@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001666219164 1291904273 /nfs/dbraw/zinc/90/42/73/1291904273.db2.gz MHEZPGWRTLOKCK-USXIJHARSA-N 2 2 371.485 0.869 10 30 FCEELP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001666306748 1291908910 /nfs/dbraw/zinc/90/89/10/1291908910.db2.gz WISDIXYDUWOAOH-KLHDSHLOSA-N 2 2 359.474 0.843 10 30 FCEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001685718392 1292607211 /nfs/dbraw/zinc/60/72/11/1292607211.db2.gz ISXYSRSWLGDNTE-NXHRZFHOSA-N 2 2 371.485 0.500 10 30 FCEELP C[NH+](C)CC#CCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001687889182 1293026511 /nfs/dbraw/zinc/02/65/11/1293026511.db2.gz OVGJLFFNWWQULW-HNNXBMFYSA-N 2 2 367.494 0.402 10 30 FCEELP C[NH+](C)CC#CCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001687889182 1293026517 /nfs/dbraw/zinc/02/65/17/1293026517.db2.gz OVGJLFFNWWQULW-HNNXBMFYSA-N 2 2 367.494 0.402 10 30 FCEELP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001283522735 864504216 /nfs/dbraw/zinc/50/42/16/864504216.db2.gz ZTRBWPJYHKPWDT-SQNIBIBYSA-N 2 2 351.491 0.879 10 30 FCEELP C#CCNC(=O)C[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001332708424 873624522 /nfs/dbraw/zinc/62/45/22/873624522.db2.gz ZLFYOXVRRCWDFC-DLBZAZTESA-N 2 2 350.507 0.635 10 30 FCEELP C#CCNC(=O)C[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001332708424 873624531 /nfs/dbraw/zinc/62/45/31/873624531.db2.gz ZLFYOXVRRCWDFC-DLBZAZTESA-N 2 2 350.507 0.635 10 30 FCEELP C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001332708424 873624542 /nfs/dbraw/zinc/62/45/42/873624542.db2.gz ZLFYOXVRRCWDFC-DLBZAZTESA-N 2 2 350.507 0.635 10 30 FCEELP C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001332708424 873624549 /nfs/dbraw/zinc/62/45/49/873624549.db2.gz ZLFYOXVRRCWDFC-DLBZAZTESA-N 2 2 350.507 0.635 10 30 FCEELP CC(C)[C@H](CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000328868296 488945284 /nfs/dbraw/zinc/94/52/84/488945284.db2.gz HEOHFLQWLOBOIX-ULQDDVLXSA-N 2 2 354.495 0.662 10 30 FCEELP CC(C)[C@H](CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000328868296 488945287 /nfs/dbraw/zinc/94/52/87/488945287.db2.gz HEOHFLQWLOBOIX-ULQDDVLXSA-N 2 2 354.495 0.662 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000247112074 488481874 /nfs/dbraw/zinc/48/18/74/488481874.db2.gz YKTRVMHLIWMDRD-HOCLYGCPSA-N 2 2 374.489 0.918 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000247112074 488481876 /nfs/dbraw/zinc/48/18/76/488481876.db2.gz YKTRVMHLIWMDRD-HOCLYGCPSA-N 2 2 374.489 0.918 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)o1 ZINC000247112074 488481879 /nfs/dbraw/zinc/48/18/79/488481879.db2.gz YKTRVMHLIWMDRD-HOCLYGCPSA-N 2 2 374.489 0.918 10 30 FCEELP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)o1 ZINC000247112074 488481882 /nfs/dbraw/zinc/48/18/82/488481882.db2.gz YKTRVMHLIWMDRD-HOCLYGCPSA-N 2 2 374.489 0.918 10 30 FCEELP C=CCN1CC[C@@H]([NH+](C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000366910422 489200543 /nfs/dbraw/zinc/20/05/43/489200543.db2.gz HZAUKHOTXKOSMU-DLBZAZTESA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@@H]([NH+](C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1=O ZINC000366910422 489200547 /nfs/dbraw/zinc/20/05/47/489200547.db2.gz HZAUKHOTXKOSMU-DLBZAZTESA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1=O ZINC000366910422 489200551 /nfs/dbraw/zinc/20/05/51/489200551.db2.gz HZAUKHOTXKOSMU-DLBZAZTESA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1=O ZINC000366910422 489200554 /nfs/dbraw/zinc/20/05/54/489200554.db2.gz HZAUKHOTXKOSMU-DLBZAZTESA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@@H]([NH+](C)CC#CC[N@@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000284908340 489316146 /nfs/dbraw/zinc/31/61/46/489316146.db2.gz VDEFFBKSELVGML-QZTJIDSGSA-N 2 2 358.486 0.427 10 30 FCEELP C=CCN1CC[C@@H]([NH+](C)CC#CC[N@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000284908340 489316148 /nfs/dbraw/zinc/31/61/48/489316148.db2.gz VDEFFBKSELVGML-QZTJIDSGSA-N 2 2 358.486 0.427 10 30 FCEELP Cc1ncc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1C#N ZINC000489114518 489695323 /nfs/dbraw/zinc/69/53/23/489695323.db2.gz SNKOXAHCARTEJS-UHFFFAOYSA-N 2 2 365.503 0.908 10 30 FCEELP Cc1ncc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1C#N ZINC000489114518 489695325 /nfs/dbraw/zinc/69/53/25/489695325.db2.gz SNKOXAHCARTEJS-UHFFFAOYSA-N 2 2 365.503 0.908 10 30 FCEELP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599319142 492159616 /nfs/dbraw/zinc/15/96/16/492159616.db2.gz KMKJPXUFMGDODK-IAGOWNOFSA-N 2 2 364.490 0.296 10 30 FCEELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599319142 492159617 /nfs/dbraw/zinc/15/96/17/492159617.db2.gz KMKJPXUFMGDODK-IAGOWNOFSA-N 2 2 364.490 0.296 10 30 FCEELP C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636706511 492666535 /nfs/dbraw/zinc/66/65/35/492666535.db2.gz AGLMJONRGKENIN-OAHLLOKOSA-N 2 2 350.507 0.990 10 30 FCEELP C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636706511 492666539 /nfs/dbraw/zinc/66/65/39/492666539.db2.gz AGLMJONRGKENIN-OAHLLOKOSA-N 2 2 350.507 0.990 10 30 FCEELP C=CC[C@@]1(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC[NH2+]1 ZINC000662670358 493530729 /nfs/dbraw/zinc/53/07/29/493530729.db2.gz FAQCSKYEBRFKMY-SFHVURJKSA-N 2 2 355.446 0.710 10 30 FCEELP C[NH+]=C(NCC(=O)Nc1ccc(F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262458545 526348945 /nfs/dbraw/zinc/34/89/45/526348945.db2.gz LVWVJLVOJUSFOK-INIZCTEOSA-N 2 2 363.437 0.746 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156126405 526373732 /nfs/dbraw/zinc/37/37/32/526373732.db2.gz PJJSWHVRZIYMMF-ZWKOTPCHSA-N 2 2 368.522 0.943 10 30 FCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156126405 526373736 /nfs/dbraw/zinc/37/37/36/526373736.db2.gz PJJSWHVRZIYMMF-ZWKOTPCHSA-N 2 2 368.522 0.943 10 30 FCEELP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261954614 526395153 /nfs/dbraw/zinc/39/51/53/526395153.db2.gz ILDJQFGMHRZBPY-UAGQMJEPSA-N 2 2 365.522 0.471 10 30 FCEELP CCN(CCC#N)C(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241527 528356422 /nfs/dbraw/zinc/35/64/22/528356422.db2.gz QFEDUWDVYVXOKA-UHFFFAOYSA-N 2 2 363.506 0.625 10 30 FCEELP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCN(Cc2ccon2)CC1 ZINC000152843033 528814455 /nfs/dbraw/zinc/81/44/55/528814455.db2.gz CTDUONUMINHHHR-INIZCTEOSA-N 2 2 350.467 0.088 10 30 FCEELP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(Cc2ccon2)CC1 ZINC000152843033 528814464 /nfs/dbraw/zinc/81/44/64/528814464.db2.gz CTDUONUMINHHHR-INIZCTEOSA-N 2 2 350.467 0.088 10 30 FCEELP C#CCC1(O)CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000880477682 673195208 /nfs/dbraw/zinc/19/52/08/673195208.db2.gz MTEMFKHYYMBRDF-KRWDZBQOSA-N 2 2 351.491 0.310 10 30 FCEELP C#CCC1(O)CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000880477682 673195212 /nfs/dbraw/zinc/19/52/12/673195212.db2.gz MTEMFKHYYMBRDF-KRWDZBQOSA-N 2 2 351.491 0.310 10 30 FCEELP CCC(=O)N[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000551700119 1193867395 /nfs/dbraw/zinc/86/73/95/1193867395.db2.gz WYIVCJBEQQGCED-QZTJIDSGSA-N 2 2 362.518 0.971 10 30 FCEELP CCC(=O)N[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000551700119 1193867398 /nfs/dbraw/zinc/86/73/98/1193867398.db2.gz WYIVCJBEQQGCED-QZTJIDSGSA-N 2 2 362.518 0.971 10 30 FCEELP C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000790157755 1201057039 /nfs/dbraw/zinc/05/70/39/1201057039.db2.gz KSAJRPYKKZYOND-UHFFFAOYSA-N 2 2 354.454 0.814 10 30 FCEELP C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000790157755 1201057043 /nfs/dbraw/zinc/05/70/43/1201057043.db2.gz KSAJRPYKKZYOND-UHFFFAOYSA-N 2 2 354.454 0.814 10 30 FCEELP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867970930 1210037858 /nfs/dbraw/zinc/03/78/58/1210037858.db2.gz KYUXZMDVFWDIMN-SJORKVTESA-N 2 2 350.426 0.652 10 30 FCEELP C#CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000880480924 1210537996 /nfs/dbraw/zinc/53/79/96/1210537996.db2.gz CJCRGTRQOANHFA-QGZVFWFLSA-N 2 2 356.470 0.969 10 30 FCEELP C#C[C@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001119226009 1221890147 /nfs/dbraw/zinc/89/01/47/1221890147.db2.gz UDMFDBRGDHCJPS-BRWVUGGUSA-N 2 2 360.502 0.579 10 30 FCEELP C#C[C@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001119226009 1221890150 /nfs/dbraw/zinc/89/01/50/1221890150.db2.gz UDMFDBRGDHCJPS-BRWVUGGUSA-N 2 2 360.502 0.579 10 30 FCEELP C#C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001329185570 1265708164 /nfs/dbraw/zinc/70/81/64/1265708164.db2.gz BCOMYITXSBDCCU-INIZCTEOSA-N 2 2 360.502 0.533 10 30 FCEELP COCC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001264444234 1260372149 /nfs/dbraw/zinc/37/21/49/1260372149.db2.gz MIIUYCGRPMFGPV-ZCNNSNEGSA-N 2 2 371.481 0.551 10 30 FCEELP COCC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001264444234 1260372154 /nfs/dbraw/zinc/37/21/54/1260372154.db2.gz MIIUYCGRPMFGPV-ZCNNSNEGSA-N 2 2 371.481 0.551 10 30 FCEELP COCC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001264444234 1260372157 /nfs/dbraw/zinc/37/21/57/1260372157.db2.gz MIIUYCGRPMFGPV-ZCNNSNEGSA-N 2 2 371.481 0.551 10 30 FCEELP COCC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001264444234 1260372160 /nfs/dbraw/zinc/37/21/60/1260372160.db2.gz MIIUYCGRPMFGPV-ZCNNSNEGSA-N 2 2 371.481 0.551 10 30 FCEELP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001264555660 1260380702 /nfs/dbraw/zinc/38/07/02/1260380702.db2.gz PNSOOSDEKVMGCK-CVEARBPZSA-N 2 2 359.474 0.319 10 30 FCEELP C=CCOCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)O2 ZINC001484781145 1263486512 /nfs/dbraw/zinc/48/65/12/1263486512.db2.gz BUWZDTIOPZVBHB-IXDOHACOSA-N 2 2 351.491 0.879 10 30 FCEELP C=CCOCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)O2 ZINC001484781145 1263486515 /nfs/dbraw/zinc/48/65/15/1263486515.db2.gz BUWZDTIOPZVBHB-IXDOHACOSA-N 2 2 351.491 0.879 10 30 FCEELP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001493948301 1263746468 /nfs/dbraw/zinc/74/64/68/1263746468.db2.gz BVNVCWIKYRQOGP-IXDOHACOSA-N 2 2 363.506 0.669 10 30 FCEELP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001493948301 1263746475 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/nfs/dbraw/zinc/60/95/67/1269609567.db2.gz LEJFVQMFMMESPQ-AYBZRNKSSA-N 2 2 371.485 0.898 10 30 FCEELP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C)c1ccccc1 ZINC001566109378 1269609571 /nfs/dbraw/zinc/60/95/71/1269609571.db2.gz LEJFVQMFMMESPQ-AYBZRNKSSA-N 2 2 371.485 0.898 10 30 FCEELP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C)c1ccccc1 ZINC001566109378 1269609576 /nfs/dbraw/zinc/60/95/76/1269609576.db2.gz LEJFVQMFMMESPQ-AYBZRNKSSA-N 2 2 371.485 0.898 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001570039882 1269832026 /nfs/dbraw/zinc/83/20/26/1269832026.db2.gz CWBBRIFWHCBGSV-WRQOLXDDSA-N 2 2 371.485 0.916 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001570039882 1269832041 /nfs/dbraw/zinc/83/20/41/1269832041.db2.gz CWBBRIFWHCBGSV-WRQOLXDDSA-N 2 2 371.485 0.916 10 30 FCEELP C#CCNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 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/nfs/dbraw/zinc/12/56/26/1289125626.db2.gz CEFHYFVWXKELKT-KURKYZTESA-N 2 2 362.518 0.969 10 30 FCEELP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001724234284 1288434989 /nfs/dbraw/zinc/43/49/89/1288434989.db2.gz VFYGHKQSMXZCPV-WSTZPKSXSA-N 2 2 363.502 0.718 10 30 FCEELP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001731710269 1288562077 /nfs/dbraw/zinc/56/20/77/1288562077.db2.gz DZTKUGLRVUWZCI-BZUAXINKSA-N 2 2 357.458 0.196 10 30 FCEELP C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001731710269 1288562079 /nfs/dbraw/zinc/56/20/79/1288562079.db2.gz DZTKUGLRVUWZCI-BZUAXINKSA-N 2 2 357.458 0.196 10 30 FCEELP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC001732317825 1288580911 /nfs/dbraw/zinc/58/09/11/1288580911.db2.gz PKXJPTSQRDFFOO-UXHICEINSA-N 2 2 371.481 0.905 10 30 FCEELP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001268110347 859525266 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DFILYRIWOCORFK-KURKYZTESA-N 2 2 367.538 0.579 10 30 FCEELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000328857341 488944023 /nfs/dbraw/zinc/94/40/23/488944023.db2.gz DFILYRIWOCORFK-KURKYZTESA-N 2 2 367.538 0.579 10 30 FCEELP N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)n2c1 ZINC000093046728 488477455 /nfs/dbraw/zinc/47/74/55/488477455.db2.gz VXRFLTHSNYBMFI-UHFFFAOYSA-N 2 2 352.442 0.946 10 30 FCEELP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000599963177 492223621 /nfs/dbraw/zinc/22/36/21/492223621.db2.gz YPZBEPLLQFNQDN-MAUKXSAKSA-N 2 2 369.469 0.459 10 30 FCEELP C[NH+]=C(NCC(C)(C)[NH+]1CCOCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261773448 526348515 /nfs/dbraw/zinc/34/85/15/526348515.db2.gz OHJMBTWNIRBAMU-GOSISDBHSA-N 2 2 351.495 0.275 10 30 FCEELP C[NH+]=C(NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)N[C@@H]1CCC(=O)NC1 ZINC000262824442 526351935 /nfs/dbraw/zinc/35/19/35/526351935.db2.gz ZITTUWALPSEBND-MRXNPFEDSA-N 3 2 364.538 0.380 10 30 FCEELP 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2 369.469 0.588 10 30 FCEELP CC[NH+]=C(NCC(C)(C)N1CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262499163 528801780 /nfs/dbraw/zinc/80/17/80/528801780.db2.gz XOUBVDXRNSHIME-KRWDZBQOSA-N 2 2 367.538 0.469 10 30 FCEELP CC[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261664424 528806869 /nfs/dbraw/zinc/80/68/69/528806869.db2.gz BHYGLICOCVYXCN-IBGZPJMESA-N 2 2 365.522 0.665 10 30 FCEELP CC[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261664424 528806874 /nfs/dbraw/zinc/80/68/74/528806874.db2.gz BHYGLICOCVYXCN-IBGZPJMESA-N 2 2 365.522 0.665 10 30 FCEELP CC[NH+]=C(NCCN1CCOCC1(C)C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175523001 528806915 /nfs/dbraw/zinc/80/69/15/528806915.db2.gz JRNXKYXOSARUQA-QGZVFWFLSA-N 2 2 367.538 0.469 10 30 FCEELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)C1 ZINC000262375957 529086382 /nfs/dbraw/zinc/08/63/82/529086382.db2.gz JNWCESVGWJILLJ-YCPHGPKFSA-N 2 2 356.536 0.847 10 30 FCEELP 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C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001656253744 1291503036 /nfs/dbraw/zinc/50/30/36/1291503036.db2.gz CLXULUQRWJAUGI-ZWKOTPCHSA-N 2 2 371.485 0.552 10 30 FCEELP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001656293552 1291506694 /nfs/dbraw/zinc/50/66/94/1291506694.db2.gz OELAGSAFEVILMU-DOTOQJQBSA-N 2 2 367.453 0.880 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001316740461 867438072 /nfs/dbraw/zinc/43/80/72/867438072.db2.gz TXGFHKXFBAUQKQ-DLBZAZTESA-N 2 2 350.507 0.990 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001316740461 867438081 /nfs/dbraw/zinc/43/80/81/867438081.db2.gz TXGFHKXFBAUQKQ-DLBZAZTESA-N 2 2 350.507 0.990 10 30 FCEELP C#CC[N@@H+](CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)C ZINC001317695591 867547751 /nfs/dbraw/zinc/54/77/51/867547751.db2.gz TWNJRGYIRZXFBJ-MSOLQXFVSA-N 2 2 351.491 0.716 10 30 FCEELP 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C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)O[C@]3(CCOC3)C2)C[C@]2(CCOC2)O1 ZINC000367456721 489207182 /nfs/dbraw/zinc/20/71/82/489207182.db2.gz CQVVRJGHCNPVGM-JVSBHGNQSA-N 2 2 364.486 0.749 10 30 FCEELP C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000374411177 489697789 /nfs/dbraw/zinc/69/77/89/489697789.db2.gz XTACPKCIPOPUQI-PMRDEQMMSA-N 2 2 369.535 0.565 10 30 FCEELP C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000374411177 489697795 /nfs/dbraw/zinc/69/77/95/489697795.db2.gz XTACPKCIPOPUQI-PMRDEQMMSA-N 2 2 369.535 0.565 10 30 FCEELP C(#CC[NH+]1CCC(c2nnc[nH]2)CC1)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000375384736 489715127 /nfs/dbraw/zinc/71/51/27/489715127.db2.gz QNRHJBDSVHPASR-UHFFFAOYSA-N 2 2 354.462 0.985 10 30 FCEELP C=CCNC(=O)CN1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420909397 490032016 /nfs/dbraw/zinc/03/20/16/490032016.db2.gz YCZQNASJEUYQLD-UHFFFAOYSA-N 2 2 372.513 0.939 10 30 FCEELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)CC1 ZINC000527377593 490721798 /nfs/dbraw/zinc/72/17/98/490721798.db2.gz AHEDECFGNAKPCT-UHFFFAOYSA-N 2 2 361.490 0.425 10 30 FCEELP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000544874700 490984899 /nfs/dbraw/zinc/98/48/99/490984899.db2.gz AMUJNOZKEPLECS-MRXNPFEDSA-N 2 2 370.457 0.154 10 30 FCEELP C=CC[NH+]1CCC(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636742198 492679242 /nfs/dbraw/zinc/67/92/42/492679242.db2.gz ZUCLQLPBVYILBD-LJQANCHMSA-N 2 2 366.506 0.552 10 30 FCEELP C=CC[NH+]1CCC(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636742198 492679245 /nfs/dbraw/zinc/67/92/45/492679245.db2.gz ZUCLQLPBVYILBD-LJQANCHMSA-N 2 2 366.506 0.552 10 30 FCEELP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262447688 526345742 /nfs/dbraw/zinc/34/57/42/526345742.db2.gz JFQQMGPYJKVSBK-QGZVFWFLSA-N 2 2 371.485 0.558 10 30 FCEELP C[NH+]=C(NCC[NH+]1CCSCC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261811353 526360187 /nfs/dbraw/zinc/36/01/87/526360187.db2.gz HRQNWITWGRUUPV-UHFFFAOYSA-N 2 2 355.552 0.942 10 30 FCEELP C[NH+]=C(NCCNC(=O)c1cnccn1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261959001 526361130 /nfs/dbraw/zinc/36/11/30/526361130.db2.gz JQKPLPQFHXZDFF-GOEBONIOSA-N 2 2 370.461 0.561 10 30 FCEELP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261985207 526375225 /nfs/dbraw/zinc/37/52/25/526375225.db2.gz PXLIDHQGORUQRP-HNNXBMFYSA-N 2 2 362.565 0.508 10 30 FCEELP C[NH+]=C(NCc1ccnc(-n2cccn2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262480646 526386306 /nfs/dbraw/zinc/38/63/06/526386306.db2.gz RILANJJOTJEWTH-QGZVFWFLSA-N 2 2 369.473 0.749 10 30 FCEELP C#CCNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001272033486 1191096750 /nfs/dbraw/zinc/09/67/50/1191096750.db2.gz JGHYIDFOBAHYNU-VQHPVUNQSA-N 2 2 369.469 0.338 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001272033486 1191096751 /nfs/dbraw/zinc/09/67/51/1191096751.db2.gz JGHYIDFOBAHYNU-VQHPVUNQSA-N 2 2 369.469 0.338 10 30 FCEELP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)NCCC)CC2)CC1 ZINC000914115460 1197235788 /nfs/dbraw/zinc/23/57/88/1197235788.db2.gz BCXOXIHVCWBOSS-UHFFFAOYSA-N 2 2 363.506 0.374 10 30 FCEELP C=CCOCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001273373901 1198050554 /nfs/dbraw/zinc/05/05/54/1198050554.db2.gz FPCICTKLDUDUPJ-CEXWTWQISA-N 2 2 364.534 0.748 10 30 FCEELP C=CCOCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001273373901 1198050563 /nfs/dbraw/zinc/05/05/63/1198050563.db2.gz FPCICTKLDUDUPJ-CEXWTWQISA-N 2 2 364.534 0.748 10 30 FCEELP C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000880480923 1210538021 /nfs/dbraw/zinc/53/80/21/1210538021.db2.gz CJCRGTRQOANHFA-KRWDZBQOSA-N 2 2 356.470 0.969 10 30 FCEELP C=C1[C@H](C(=O)NCCn2cc[nH+]c2C)[C@@H]1C(=O)NCCn1cc[nH+]c1C ZINC000900448416 1245474361 /nfs/dbraw/zinc/47/43/61/1245474361.db2.gz KRDMTWMOZVZDTG-IYBDPMFKSA-N 2 2 356.430 0.431 10 30 FCEELP C#CC[NH+]1CCC(C(=O)N[C@H]2CCOC[C@H]2Nc2cc[nH+]c(C)n2)CC1 ZINC001336143432 1260009218 /nfs/dbraw/zinc/00/92/18/1260009218.db2.gz UNWBZKSDESYHDI-DLBZAZTESA-N 2 2 357.458 0.816 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001286471563 1261936369 /nfs/dbraw/zinc/93/63/69/1261936369.db2.gz NIODNFJQQGBUAY-HNNXBMFYSA-N 2 2 361.494 0.122 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001479637295 1263286535 /nfs/dbraw/zinc/28/65/35/1263286535.db2.gz WAGTYXFQITYEKQ-BBWFWOEESA-N 2 2 363.506 0.716 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC[N@H+]1CC(=O)NCC#N ZINC001479637295 1263286540 /nfs/dbraw/zinc/28/65/40/1263286540.db2.gz WAGTYXFQITYEKQ-BBWFWOEESA-N 2 2 363.506 0.716 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC[NH+]1CC(=O)NCC#N ZINC001479637295 1263286548 /nfs/dbraw/zinc/28/65/48/1263286548.db2.gz WAGTYXFQITYEKQ-BBWFWOEESA-N 2 2 363.506 0.716 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC[NH+]1CC(=O)NCC#N ZINC001479637295 1263286557 /nfs/dbraw/zinc/28/65/57/1263286557.db2.gz WAGTYXFQITYEKQ-BBWFWOEESA-N 2 2 363.506 0.716 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001479985542 1263421157 /nfs/dbraw/zinc/42/11/57/1263421157.db2.gz QXTKARWGLBKDQF-FMKPAKJESA-N 2 2 370.457 0.134 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001479985543 1263421838 /nfs/dbraw/zinc/42/18/38/1263421838.db2.gz QXTKARWGLBKDQF-IIAWOOMASA-N 2 2 370.457 0.134 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CC(=O)NCC#N ZINC001316738255 1263445224 /nfs/dbraw/zinc/44/52/24/1263445224.db2.gz LPQCRTCZURHXGZ-YESZJQIVSA-N 2 2 363.506 0.860 10 30 FCEELP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC(=O)NCC#N ZINC001316738255 1263445229 /nfs/dbraw/zinc/44/52/29/1263445229.db2.gz LPQCRTCZURHXGZ-YESZJQIVSA-N 2 2 363.506 0.860 10 30 FCEELP C#CCNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001316771582 1263467816 /nfs/dbraw/zinc/46/78/16/1263467816.db2.gz HKSYHUBZCFBBSF-BRWVUGGUSA-N 2 2 371.485 0.634 10 30 FCEELP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(C)(C)C ZINC001507985330 1264391264 /nfs/dbraw/zinc/39/12/64/1264391264.db2.gz ZNLRSJFJNKTZSZ-IKGGRYGDSA-N 2 2 351.491 0.620 10 30 FCEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(CC)CC)[C@@H]1CC ZINC001566014390 1269550638 /nfs/dbraw/zinc/55/06/38/1269550638.db2.gz AYQIWTKUFQJZKK-KSZLIROESA-N 2 2 362.518 0.922 10 30 FCEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(CC)CC)[C@@H]1CC ZINC001566014390 1269550643 /nfs/dbraw/zinc/55/06/43/1269550643.db2.gz AYQIWTKUFQJZKK-KSZLIROESA-N 2 2 362.518 0.922 10 30 FCEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N(CC)CC)[C@@H]1CC ZINC001566014390 1269550645 /nfs/dbraw/zinc/55/06/45/1269550645.db2.gz AYQIWTKUFQJZKK-KSZLIROESA-N 2 2 362.518 0.922 10 30 FCEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N(CC)CC)[C@@H]1CC ZINC001566014390 1269550656 /nfs/dbraw/zinc/55/06/56/1269550656.db2.gz AYQIWTKUFQJZKK-KSZLIROESA-N 2 2 362.518 0.922 10 30 FCEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001716615841 1287384178 /nfs/dbraw/zinc/38/41/78/1287384178.db2.gz AGSFBMDITCRVJM-KURKYZTESA-N 2 2 351.491 0.927 10 30 FCEELP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001717645372 1287431825 /nfs/dbraw/zinc/43/18/25/1287431825.db2.gz XCHYYXFCPUCLCI-TVFCKZIOSA-N 2 2 351.491 0.927 10 30 FCEELP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001707156507 1286480258 /nfs/dbraw/zinc/48/02/58/1286480258.db2.gz ADWWWADXRPTTNZ-RYRKJORJSA-N 2 2 371.485 0.412 10 30 FCEELP C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCCC2)CC1 ZINC001722437537 1288414948 /nfs/dbraw/zinc/41/49/48/1288414948.db2.gz ODFSOMHJKLTHDM-QGZVFWFLSA-N 2 2 358.490 0.633 10 30 FCEELP C#CCNC(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001724297807 1288436338 /nfs/dbraw/zinc/43/63/38/1288436338.db2.gz KRHWIDYLRUYVBN-HZPDHXFCSA-N 2 2 371.485 0.491 10 30 FCEELP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001265617359 859463540 /nfs/dbraw/zinc/46/35/40/859463540.db2.gz HJORSZBMEFZAAJ-KSZLIROESA-N 2 2 351.491 0.880 10 30 FCEELP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105281883 208198307 /nfs/dbraw/zinc/19/83/07/208198307.db2.gz JTDQZOFNVURKLA-GOSISDBHSA-N 2 2 359.474 0.962 10 30 FCEELP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105281883 208198310 /nfs/dbraw/zinc/19/83/10/208198310.db2.gz JTDQZOFNVURKLA-GOSISDBHSA-N 2 2 359.474 0.962 10 30 FCEELP Cn1c(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C#N)c(=O)n(C)c1=O ZINC000078457678 488422227 /nfs/dbraw/zinc/42/22/27/488422227.db2.gz IFZJRTUYWAGVLO-UHFFFAOYSA-N 2 2 374.489 0.318 10 30 FCEELP C=CCN1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000366910426 489200358 /nfs/dbraw/zinc/20/03/58/489200358.db2.gz HZAUKHOTXKOSMU-SJORKVTESA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1=O ZINC000366910426 489200361 /nfs/dbraw/zinc/20/03/61/489200361.db2.gz HZAUKHOTXKOSMU-SJORKVTESA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1=O ZINC000366910426 489200364 /nfs/dbraw/zinc/20/03/64/489200364.db2.gz HZAUKHOTXKOSMU-SJORKVTESA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@H]([N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1=O ZINC000366910426 489200366 /nfs/dbraw/zinc/20/03/66/489200366.db2.gz HZAUKHOTXKOSMU-SJORKVTESA-N 2 2 366.506 0.178 10 30 FCEELP C[N@@H+]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C[NH3+])C1 ZINC000582594067 491819216 /nfs/dbraw/zinc/81/92/16/491819216.db2.gz UIULLFDYUZQFTC-AWEZNQCLSA-N 2 2 373.848 1.504 10 30 FCEELP C[N@H+]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C[NH3+])C1 ZINC000582594067 491819217 /nfs/dbraw/zinc/81/92/17/491819217.db2.gz UIULLFDYUZQFTC-AWEZNQCLSA-N 2 2 373.848 1.504 10 30 FCEELP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000599963176 492223798 /nfs/dbraw/zinc/22/37/98/492223798.db2.gz YPZBEPLLQFNQDN-CRAIPNDOSA-N 2 2 369.469 0.459 10 30 FCEELP C[NH+]=C(NCc1nccn1CC(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262425713 526391639 /nfs/dbraw/zinc/39/16/39/526391639.db2.gz CLJYABMSOPTOBL-CYBMUJFWSA-N 2 2 374.411 0.927 10 30 FCEELP C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261981008 526395024 /nfs/dbraw/zinc/39/50/24/526395024.db2.gz OWWDCARZZKFBPU-DNVCBOLYSA-N 2 2 367.538 0.861 10 30 FCEELP CCN(CCC#N)C(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106120774 528359248 /nfs/dbraw/zinc/35/92/48/528359248.db2.gz WYBZEEHXZXHFII-GOSISDBHSA-N 2 2 365.522 0.475 10 30 FCEELP CCN(CCC#N)C(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106120774 528359252 /nfs/dbraw/zinc/35/92/52/528359252.db2.gz WYBZEEHXZXHFII-GOSISDBHSA-N 2 2 365.522 0.475 10 30 FCEELP N#Cc1ncccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562204 675945004 /nfs/dbraw/zinc/94/50/04/675945004.db2.gz HGVBQXOHFBKYIL-GASCZTMLSA-N 2 2 361.471 0.543 10 30 FCEELP N#Cc1ncccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562204 675945005 /nfs/dbraw/zinc/94/50/05/675945005.db2.gz HGVBQXOHFBKYIL-GASCZTMLSA-N 2 2 361.471 0.543 10 30 FCEELP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001267929346 1183160923 /nfs/dbraw/zinc/16/09/23/1183160923.db2.gz VGUMDVWPBWTPRN-MKXGPGLRSA-N 2 2 363.502 0.907 10 30 FCEELP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001269171834 1187826444 /nfs/dbraw/zinc/82/64/44/1187826444.db2.gz DRPNNSRAEYVIAM-KURKYZTESA-N 2 2 369.469 0.162 10 30 FCEELP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001269171834 1187826446 /nfs/dbraw/zinc/82/64/46/1187826446.db2.gz DRPNNSRAEYVIAM-KURKYZTESA-N 2 2 369.469 0.162 10 30 FCEELP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001269171834 1187826447 /nfs/dbraw/zinc/82/64/47/1187826447.db2.gz DRPNNSRAEYVIAM-KURKYZTESA-N 2 2 369.469 0.162 10 30 FCEELP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001269171834 1187826449 /nfs/dbraw/zinc/82/64/49/1187826449.db2.gz DRPNNSRAEYVIAM-KURKYZTESA-N 2 2 369.469 0.162 10 30 FCEELP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001269634632 1187860673 /nfs/dbraw/zinc/86/06/73/1187860673.db2.gz RJOZZRJAFRRYIF-CLCXKQKWSA-N 2 2 357.458 0.148 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001269740531 1187865571 /nfs/dbraw/zinc/86/55/71/1187865571.db2.gz GLGSFMGUYYIHLY-SPYBWZPUSA-N 2 2 370.457 0.088 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001269740531 1187865575 /nfs/dbraw/zinc/86/55/75/1187865575.db2.gz GLGSFMGUYYIHLY-SPYBWZPUSA-N 2 2 370.457 0.088 10 30 FCEELP C=CC[C@@H]1CC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000934466137 1211862917 /nfs/dbraw/zinc/86/29/17/1211862917.db2.gz HZMBEXWCLCHONC-CQSZACIVSA-N 2 2 355.446 0.662 10 30 FCEELP C=CC[C@@H]1CC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000934466137 1211862918 /nfs/dbraw/zinc/86/29/18/1211862918.db2.gz HZMBEXWCLCHONC-CQSZACIVSA-N 2 2 355.446 0.662 10 30 FCEELP C#CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001329335025 1265736837 /nfs/dbraw/zinc/73/68/37/1265736837.db2.gz HGKXREPMEQMURJ-HUUCEWRRSA-N 2 2 359.474 0.347 10 30 FCEELP C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCCC2)CC1 ZINC001286478404 1261936292 /nfs/dbraw/zinc/93/62/92/1261936292.db2.gz BHFVQWMTEMXONM-MRXNPFEDSA-N 2 2 371.489 0.080 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(CC)n2CCCC[NH+]2CCOCC2)CC1 ZINC001300701325 1262995640 /nfs/dbraw/zinc/99/56/40/1262995640.db2.gz ORQJGDMBOZGFSA-UHFFFAOYSA-N 2 2 360.506 0.708 10 30 FCEELP 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N#CCNC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001318896419 1263623540 /nfs/dbraw/zinc/62/35/40/1263623540.db2.gz OSOXDPFMZTYWKP-HUUCEWRRSA-N 2 2 358.446 0.371 10 30 FCEELP C=CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001322997833 1264311358 /nfs/dbraw/zinc/31/13/58/1264311358.db2.gz KUASHHZTINPCLX-WBVHZDCISA-N 2 2 364.490 0.075 10 30 FCEELP C=CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001322997833 1264311372 /nfs/dbraw/zinc/31/13/72/1264311372.db2.gz KUASHHZTINPCLX-WBVHZDCISA-N 2 2 364.490 0.075 10 30 FCEELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C)(C#N)CC3)C2)CC1 ZINC001323432043 1264428544 /nfs/dbraw/zinc/42/85/44/1264428544.db2.gz MLRQMQJDEAIVQG-HNNXBMFYSA-N 2 2 361.490 0.423 10 30 FCEELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C)(C#N)CC3)C2)CC1 ZINC001323432043 1264428547 /nfs/dbraw/zinc/42/85/47/1264428547.db2.gz MLRQMQJDEAIVQG-HNNXBMFYSA-N 2 2 361.490 0.423 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001323860144 1264529920 /nfs/dbraw/zinc/52/99/20/1264529920.db2.gz NYICVKWJYGLAFT-QINHECLXSA-N 2 2 371.485 0.750 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001323860144 1264529924 /nfs/dbraw/zinc/52/99/24/1264529924.db2.gz NYICVKWJYGLAFT-QINHECLXSA-N 2 2 371.485 0.750 10 30 FCEELP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC2)C1=O ZINC001326890412 1265192194 /nfs/dbraw/zinc/19/21/94/1265192194.db2.gz YMVOECKYPBDKRM-BZUAXINKSA-N 2 2 371.485 0.939 10 30 FCEELP C#C[C@H]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001333290808 1266573108 /nfs/dbraw/zinc/57/31/08/1266573108.db2.gz UWBLPILURNMSCT-ZHALLVOQSA-N 2 2 374.529 0.922 10 30 FCEELP C#C[C@H]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001333290808 1266573111 /nfs/dbraw/zinc/57/31/11/1266573111.db2.gz UWBLPILURNMSCT-ZHALLVOQSA-N 2 2 374.529 0.922 10 30 FCEELP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001565899193 1269511835 /nfs/dbraw/zinc/51/18/35/1269511835.db2.gz XQCLHXYVGYRINV-DZGCQCFKSA-N 2 2 359.430 0.147 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001569913802 1269819124 /nfs/dbraw/zinc/81/91/24/1269819124.db2.gz WLOHACHGWSSNGM-VQHPVUNQSA-N 2 2 371.485 0.891 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001569913802 1269819130 /nfs/dbraw/zinc/81/91/30/1269819130.db2.gz WLOHACHGWSSNGM-VQHPVUNQSA-N 2 2 371.485 0.891 10 30 FCEELP CN(C[C@@H](O)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001571582913 1269939971 /nfs/dbraw/zinc/93/99/71/1269939971.db2.gz PYVAXHDEXXBNOK-GVDBMIGSSA-N 2 2 353.426 0.994 10 30 FCEELP CN(C[C@@H](O)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001571582913 1269939975 /nfs/dbraw/zinc/93/99/75/1269939975.db2.gz PYVAXHDEXXBNOK-GVDBMIGSSA-N 2 2 353.426 0.994 10 30 FCEELP 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C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317192439 1263504227 /nfs/dbraw/zinc/50/42/27/1263504227.db2.gz NIYPIDBKVZJAQP-BZUAXINKSA-N 2 2 357.458 0.244 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C[NH2+]CC(=O)NCC#N)CCCC1 ZINC001318654239 1263597115 /nfs/dbraw/zinc/59/71/15/1263597115.db2.gz NQZVBGBLHXTXKP-ZIAGYGMSSA-N 2 2 358.446 0.182 10 30 FCEELP C#CCNC(=O)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001508064519 1264394271 /nfs/dbraw/zinc/39/42/71/1264394271.db2.gz NDUALNLLWRLAQD-DJIMGWMZSA-N 2 2 371.485 0.490 10 30 FCEELP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCOCCO)CC1 ZINC001569589146 1269791025 /nfs/dbraw/zinc/79/10/25/1269791025.db2.gz AYUUTKBQIDBFNI-IAGOWNOFSA-N 2 2 360.458 0.448 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCC[N@@H+](C)CCOC)CC1 ZINC001588806587 1282706093 /nfs/dbraw/zinc/70/60/93/1282706093.db2.gz WBATYXWGBPSBJW-UHFFFAOYSA-N 2 2 360.506 0.879 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCC[N@H+](C)CCOC)CC1 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/nfs/dbraw/zinc/59/09/19/1291590919.db2.gz UGKHYGSPSWNHGF-ZBFHGGJFSA-N 2 2 360.462 0.533 10 30 FCEELP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001657036414 1291590924 /nfs/dbraw/zinc/59/09/24/1291590924.db2.gz UGKHYGSPSWNHGF-ZBFHGGJFSA-N 2 2 360.462 0.533 10 30 FCEELP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001676238613 1292197388 /nfs/dbraw/zinc/19/73/88/1292197388.db2.gz IBTWQXWKYXWAOT-QRVBRYPASA-N 2 2 363.502 0.716 10 30 FCEELP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001265617360 859463788 /nfs/dbraw/zinc/46/37/88/859463788.db2.gz HJORSZBMEFZAAJ-KURKYZTESA-N 2 2 351.491 0.880 10 30 FCEELP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001318139057 867614070 /nfs/dbraw/zinc/61/40/70/867614070.db2.gz VZCYCVWIYPMSQJ-MSOLQXFVSA-N 2 2 351.491 0.880 10 30 FCEELP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001318706676 867732613 /nfs/dbraw/zinc/73/26/13/867732613.db2.gz KJOOEYXCZGCUBP-ZIFCJYIRSA-N 2 2 351.491 0.927 10 30 FCEELP C=CC[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001329306766 871945460 /nfs/dbraw/zinc/94/54/60/871945460.db2.gz SCBQJQOFVSMQKP-MRXNPFEDSA-N 2 2 350.507 0.895 10 30 FCEELP C=CC[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001329306766 871945475 /nfs/dbraw/zinc/94/54/75/871945475.db2.gz SCBQJQOFVSMQKP-MRXNPFEDSA-N 2 2 350.507 0.895 10 30 FCEELP C=CC[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001329306763 871946189 /nfs/dbraw/zinc/94/61/89/871946189.db2.gz SCBQJQOFVSMQKP-INIZCTEOSA-N 2 2 350.507 0.895 10 30 FCEELP C=CC[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001329306763 871946201 /nfs/dbraw/zinc/94/62/01/871946201.db2.gz SCBQJQOFVSMQKP-INIZCTEOSA-N 2 2 350.507 0.895 10 30 FCEELP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000093821067 208157988 /nfs/dbraw/zinc/15/79/88/208157988.db2.gz TVCIXJZOGDNMCB-KRWDZBQOSA-N 2 2 352.442 0.944 10 30 FCEELP 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ZINC000329887258 489045079 /nfs/dbraw/zinc/04/50/79/489045079.db2.gz XEIGQQYIPAJRLZ-HRCADAONSA-N 2 2 352.479 0.606 10 30 FCEELP C=CCN1CC[C@@H]([NH+](C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000366910423 489200815 /nfs/dbraw/zinc/20/08/15/489200815.db2.gz HZAUKHOTXKOSMU-IAGOWNOFSA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@@H]([NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1=O ZINC000366910423 489200817 /nfs/dbraw/zinc/20/08/17/489200817.db2.gz HZAUKHOTXKOSMU-IAGOWNOFSA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1=O ZINC000366910423 489200818 /nfs/dbraw/zinc/20/08/18/489200818.db2.gz HZAUKHOTXKOSMU-IAGOWNOFSA-N 2 2 366.506 0.178 10 30 FCEELP C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1=O ZINC000366910423 489200820 /nfs/dbraw/zinc/20/08/20/489200820.db2.gz HZAUKHOTXKOSMU-IAGOWNOFSA-N 2 2 366.506 0.178 10 30 FCEELP N#CC1(C[C@@H](O)C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000600723869 491878826 /nfs/dbraw/zinc/87/88/26/491878826.db2.gz PQAJFZWDMZFEGF-MRXNPFEDSA-N 2 2 357.458 0.765 10 30 FCEELP COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000595126038 491886817 /nfs/dbraw/zinc/88/68/17/491886817.db2.gz SJCORTPNZBIGPS-UHFFFAOYSA-N 2 2 361.446 0.505 10 30 FCEELP COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000595126038 491886819 /nfs/dbraw/zinc/88/68/19/491886819.db2.gz SJCORTPNZBIGPS-UHFFFAOYSA-N 2 2 361.446 0.505 10 30 FCEELP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000633043326 493108679 /nfs/dbraw/zinc/10/86/79/493108679.db2.gz ZQNQQISCYQDJHS-UHFFFAOYSA-N 2 2 358.490 0.997 10 30 FCEELP C[NH+]=C(NCC(=O)NC1CCCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262501458 526347392 /nfs/dbraw/zinc/34/73/92/526347392.db2.gz YNBQEBNCEDOICI-INIZCTEOSA-N 2 2 351.495 0.417 10 30 FCEELP C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175520297 526354567 /nfs/dbraw/zinc/35/45/67/526354567.db2.gz PZSWRAHLACCCQJ-KRWDZBQOSA-N 2 2 371.485 0.558 10 30 FCEELP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261727603 526357491 /nfs/dbraw/zinc/35/74/91/526357491.db2.gz JBXDKWDFTDJGFV-GOSISDBHSA-N 2 2 351.495 0.275 10 30 FCEELP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261727603 526357493 /nfs/dbraw/zinc/35/74/93/526357493.db2.gz JBXDKWDFTDJGFV-GOSISDBHSA-N 2 2 351.495 0.275 10 30 FCEELP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(Cc2ccon2)CC1 ZINC000261781868 526359136 /nfs/dbraw/zinc/35/91/36/526359136.db2.gz PLAAJSCUMMPWSV-UHFFFAOYSA-N 2 2 352.508 0.416 10 30 FCEELP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158616212 526364440 /nfs/dbraw/zinc/36/44/40/526364440.db2.gz NEOBHMSHPCIDBQ-UHFFFAOYSA-N 2 2 367.519 0.846 10 30 FCEELP CC[NH+]=C(NCCN1CCOC[C@@H]1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262441305 528806148 /nfs/dbraw/zinc/80/61/48/528806148.db2.gz HRQVWVZXZIARGT-IRXDYDNUSA-N 2 2 353.511 0.079 10 30 FCEELP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261747824 528807017 /nfs/dbraw/zinc/80/70/17/528807017.db2.gz LMWUVLQGLDEFFB-MRXNPFEDSA-N 2 2 366.535 0.808 10 30 FCEELP C=CCCC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001745703412 1187484304 /nfs/dbraw/zinc/48/43/04/1187484304.db2.gz FSHHOWNEMZNEEY-IAGOWNOFSA-N 2 2 350.507 0.895 10 30 FCEELP C=CCCC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001745703412 1187484309 /nfs/dbraw/zinc/48/43/09/1187484309.db2.gz FSHHOWNEMZNEEY-IAGOWNOFSA-N 2 2 350.507 0.895 10 30 FCEELP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)[C@H]2C)C1=O ZINC001489297685 1208728775 /nfs/dbraw/zinc/72/87/75/1208728775.db2.gz PUMLUNPAGUFMRS-IXDOHACOSA-N 2 2 364.490 0.075 10 30 FCEELP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)[C@H]2C)C1=O ZINC001489297685 1208728777 /nfs/dbraw/zinc/72/87/77/1208728777.db2.gz PUMLUNPAGUFMRS-IXDOHACOSA-N 2 2 364.490 0.075 10 30 FCEELP C#CC[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000834682406 1222584840 /nfs/dbraw/zinc/58/48/40/1222584840.db2.gz RTSRCYYNIZJWTA-KRWDZBQOSA-N 2 2 374.529 0.923 10 30 FCEELP C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000918907587 1245587755 /nfs/dbraw/zinc/58/77/55/1245587755.db2.gz ZVWPWBGUAHINHH-KRWDZBQOSA-N 3 2 361.534 0.894 10 30 FCEELP C#CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000918907587 1245587768 /nfs/dbraw/zinc/58/77/68/1245587768.db2.gz ZVWPWBGUAHINHH-KRWDZBQOSA-N 3 2 361.534 0.894 10 30 FCEELP C=CCn1c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nnc1[C@]1(C)C[C@H](O)C[NH+]1C ZINC001520568823 1265939385 /nfs/dbraw/zinc/93/93/85/1265939385.db2.gz ZVEIAESBZSUOHT-OLMMMNRUSA-N 2 2 360.506 0.906 10 30 FCEELP C=CCn1c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)nnc1[C@]1(C)C[C@H](O)C[NH+]1C ZINC001520568823 1265939389 /nfs/dbraw/zinc/93/93/89/1265939389.db2.gz ZVEIAESBZSUOHT-OLMMMNRUSA-N 2 2 360.506 0.906 10 30 FCEELP C=CCn1c(N2CC[C@@H]3[C@H](CC[NH+]3C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001520568823 1265939398 /nfs/dbraw/zinc/93/93/98/1265939398.db2.gz ZVEIAESBZSUOHT-OLMMMNRUSA-N 2 2 360.506 0.906 10 30 FCEELP C=CCn1c(N2CC[C@@H]3[C@H](CC[NH+]3C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001520568823 1265939403 /nfs/dbraw/zinc/93/94/03/1265939403.db2.gz ZVEIAESBZSUOHT-OLMMMNRUSA-N 2 2 360.506 0.906 10 30 FCEELP COCC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001264444233 1260372001 /nfs/dbraw/zinc/37/20/01/1260372001.db2.gz MIIUYCGRPMFGPV-XUVXKRRUSA-N 2 2 371.481 0.551 10 30 FCEELP COCC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001264444233 1260372010 /nfs/dbraw/zinc/37/20/10/1260372010.db2.gz MIIUYCGRPMFGPV-XUVXKRRUSA-N 2 2 371.481 0.551 10 30 FCEELP COCC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001264444233 1260372013 /nfs/dbraw/zinc/37/20/13/1260372013.db2.gz MIIUYCGRPMFGPV-XUVXKRRUSA-N 2 2 371.481 0.551 10 30 FCEELP COCC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001264444233 1260372017 /nfs/dbraw/zinc/37/20/17/1260372017.db2.gz MIIUYCGRPMFGPV-XUVXKRRUSA-N 2 2 371.481 0.551 10 30 FCEELP C#CC[NH2+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284823370 1261791276 /nfs/dbraw/zinc/79/12/76/1261791276.db2.gz ZDQGRKLNTACCCW-ARFHVFGLSA-N 2 2 357.458 0.623 10 30 FCEELP C#CC[NH2+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284823370 1261791280 /nfs/dbraw/zinc/79/12/80/1261791280.db2.gz ZDQGRKLNTACCCW-ARFHVFGLSA-N 2 2 357.458 0.623 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(CC)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001286479692 1261937937 /nfs/dbraw/zinc/93/79/37/1261937937.db2.gz WUXNFSMIQCDWEH-KRWDZBQOSA-N 2 2 360.506 0.564 10 30 FCEELP C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001300700976 1262994148 /nfs/dbraw/zinc/99/41/48/1262994148.db2.gz ZKZVRDKDKPUDKQ-GOSISDBHSA-N 2 2 370.501 0.799 10 30 FCEELP C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001300700976 1262994156 /nfs/dbraw/zinc/99/41/56/1262994156.db2.gz ZKZVRDKDKPUDKQ-GOSISDBHSA-N 2 2 370.501 0.799 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[N@@H+]1CC(=O)NCC#N ZINC001479717958 1263387886 /nfs/dbraw/zinc/38/78/86/1263387886.db2.gz NNDDRVWYAHTKGA-AEFFLSMTSA-N 2 2 371.485 0.380 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[N@H+]1CC(=O)NCC#N ZINC001479717958 1263387899 /nfs/dbraw/zinc/38/78/99/1263387899.db2.gz NNDDRVWYAHTKGA-AEFFLSMTSA-N 2 2 371.485 0.380 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[NH+]1CC(=O)NCC#N ZINC001479717958 1263387915 /nfs/dbraw/zinc/38/79/15/1263387915.db2.gz NNDDRVWYAHTKGA-AEFFLSMTSA-N 2 2 371.485 0.380 10 30 FCEELP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[NH+]1CC(=O)NCC#N ZINC001479717958 1263387923 /nfs/dbraw/zinc/38/79/23/1263387923.db2.gz NNDDRVWYAHTKGA-AEFFLSMTSA-N 2 2 371.485 0.380 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001319361597 1263684093 /nfs/dbraw/zinc/68/40/93/1263684093.db2.gz IVPUSUFLGQTSGG-RBSFLKMASA-N 2 2 357.458 0.670 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001319361597 1263684105 /nfs/dbraw/zinc/68/41/05/1263684105.db2.gz IVPUSUFLGQTSGG-RBSFLKMASA-N 2 2 357.458 0.670 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)CC[N@@H+]1C ZINC001493131044 1263702581 /nfs/dbraw/zinc/70/25/81/1263702581.db2.gz TXCHBDGYCNACOC-YESZJQIVSA-N 2 2 363.506 0.527 10 30 FCEELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)CC[N@H+]1C ZINC001493131044 1263702589 /nfs/dbraw/zinc/70/25/89/1263702589.db2.gz TXCHBDGYCNACOC-YESZJQIVSA-N 2 2 363.506 0.527 10 30 FCEELP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001493948308 1263746126 /nfs/dbraw/zinc/74/61/26/1263746126.db2.gz BVNVCWIKYRQOGP-YESZJQIVSA-N 2 2 363.506 0.669 10 30 FCEELP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001493948308 1263746131 /nfs/dbraw/zinc/74/61/31/1263746131.db2.gz BVNVCWIKYRQOGP-YESZJQIVSA-N 2 2 363.506 0.669 10 30 FCEELP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001493948308 1263746133 /nfs/dbraw/zinc/74/61/33/1263746133.db2.gz BVNVCWIKYRQOGP-YESZJQIVSA-N 2 2 363.506 0.669 10 30 FCEELP CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001493948308 1263746140 /nfs/dbraw/zinc/74/61/40/1263746140.db2.gz BVNVCWIKYRQOGP-YESZJQIVSA-N 2 2 363.506 0.669 10 30 FCEELP C#CC[N@H+](C)CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001323761232 1264506555 /nfs/dbraw/zinc/50/65/55/1264506555.db2.gz OKLJLRMFAWCCKU-IAGOWNOFSA-N 2 2 371.485 0.966 10 30 FCEELP C#CC[N@@H+](C)CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001323761232 1264506561 /nfs/dbraw/zinc/50/65/61/1264506561.db2.gz OKLJLRMFAWCCKU-IAGOWNOFSA-N 2 2 371.485 0.966 10 30 FCEELP C#CC[N@H+](C)CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001323761232 1264506571 /nfs/dbraw/zinc/50/65/71/1264506571.db2.gz OKLJLRMFAWCCKU-IAGOWNOFSA-N 2 2 371.485 0.966 10 30 FCEELP C#CC[N@@H+](C)CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001323761232 1264506574 /nfs/dbraw/zinc/50/65/74/1264506574.db2.gz OKLJLRMFAWCCKU-IAGOWNOFSA-N 2 2 371.485 0.966 10 30 FCEELP C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001539430817 1267427551 /nfs/dbraw/zinc/42/75/51/1267427551.db2.gz LZILFMKGPFMKPR-QFBILLFUSA-N 2 2 360.506 0.613 10 30 FCEELP C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001539430817 1267427555 /nfs/dbraw/zinc/42/75/55/1267427555.db2.gz LZILFMKGPFMKPR-QFBILLFUSA-N 2 2 360.506 0.613 10 30 FCEELP C#CCN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC001341282544 1268914689 /nfs/dbraw/zinc/91/46/89/1268914689.db2.gz WQHKQVZRRUHLRL-INIZCTEOSA-N 2 2 369.469 0.333 10 30 FCEELP CCO[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC#CCOC ZINC001565953933 1269530270 /nfs/dbraw/zinc/53/02/70/1269530270.db2.gz KYBGWVBTFZVDJF-LZLYRXPVSA-N 2 2 362.474 0.691 10 30 FCEELP CCO[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC#CCOC ZINC001565953933 1269530278 /nfs/dbraw/zinc/53/02/78/1269530278.db2.gz KYBGWVBTFZVDJF-LZLYRXPVSA-N 2 2 362.474 0.691 10 30 FCEELP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001569684342 1269796234 /nfs/dbraw/zinc/79/62/34/1269796234.db2.gz BCBCDMVVGGPIDH-SPYBWZPUSA-N 2 2 357.458 0.101 10 30 FCEELP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001344326284 1270151773 /nfs/dbraw/zinc/15/17/73/1270151773.db2.gz JLUWMVCAKSCMAF-DOTOQJQBSA-N 2 2 371.485 0.699 10 30 FCEELP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC001717900148 1287442514 /nfs/dbraw/zinc/44/25/14/1287442514.db2.gz CGOAXWLMMBQIKI-FMKPAKJESA-N 2 2 359.474 0.652 10 30 FCEELP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001717941540 1287448440 /nfs/dbraw/zinc/44/84/40/1287448440.db2.gz FBSKPRHAIIVJNA-KSZLIROESA-N 2 2 369.506 0.193 10 30 FCEELP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001717941540 1287448448 /nfs/dbraw/zinc/44/84/48/1287448448.db2.gz FBSKPRHAIIVJNA-KSZLIROESA-N 2 2 369.506 0.193 10 30 FCEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001684485157 1284187015 /nfs/dbraw/zinc/18/70/15/1284187015.db2.gz QVKUIJWIEATYMI-KSZLIROESA-N 2 2 371.485 0.690 10 30 FCEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001684485157 1284187021 /nfs/dbraw/zinc/18/70/21/1284187021.db2.gz QVKUIJWIEATYMI-KSZLIROESA-N 2 2 371.485 0.690 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001707071139 1286436998 /nfs/dbraw/zinc/43/69/98/1286436998.db2.gz GJSKCDYHPICMDV-IBEHDNSVSA-N 2 2 357.458 0.146 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001707257808 1287111609 /nfs/dbraw/zinc/11/16/09/1287111609.db2.gz KIQSITSJLPAWCD-KMFMINBZSA-N 2 2 359.474 0.635 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001707257808 1287111615 /nfs/dbraw/zinc/11/16/15/1287111615.db2.gz KIQSITSJLPAWCD-KMFMINBZSA-N 2 2 359.474 0.635 10 30 FCEELP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001667135034 1291929211 /nfs/dbraw/zinc/92/92/11/1291929211.db2.gz QPFPMZMAKKABDS-ZACQAIPSSA-N 2 2 371.485 0.917 10 30 FCEELP C#CCNC(=O)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001671907233 1292051604 /nfs/dbraw/zinc/05/16/04/1292051604.db2.gz GHWHBTOJNBRLLX-JXXFODFXSA-N 2 2 371.485 0.491 10 30 FCEELP C#CCNC(=O)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001671907233 1292051609 /nfs/dbraw/zinc/05/16/09/1292051609.db2.gz GHWHBTOJNBRLLX-JXXFODFXSA-N 2 2 371.485 0.491 10 30 FCEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC ZINC001684948322 1292378241 /nfs/dbraw/zinc/37/82/41/1292378241.db2.gz YGICDVCOWGFONQ-KSZLIROESA-N 2 2 362.518 0.920 10 30 FCEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC ZINC001684948322 1292378246 /nfs/dbraw/zinc/37/82/46/1292378246.db2.gz YGICDVCOWGFONQ-KSZLIROESA-N 2 2 362.518 0.920 10 30 FCEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC ZINC001684948322 1292378254 /nfs/dbraw/zinc/37/82/54/1292378254.db2.gz YGICDVCOWGFONQ-KSZLIROESA-N 2 2 362.518 0.920 10 30 FCEELP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001278523686 862359514 /nfs/dbraw/zinc/35/95/14/862359514.db2.gz MJSTYIGYGDHGDQ-ZIFCJYIRSA-N 2 2 351.491 0.880 10 30 FCEELP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000419948728 246383115 /nfs/dbraw/zinc/38/31/15/246383115.db2.gz KICXGFODJUTYJN-SFHVURJKSA-N 2 2 369.469 0.461 10 30 FCEELP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241610 229166871 /nfs/dbraw/zinc/16/68/71/229166871.db2.gz ANXMYUCTXIZAIL-MRXNPFEDSA-N 2 2 363.506 0.623 10 30 FCEELP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000329058176 488964965 /nfs/dbraw/zinc/96/49/65/488964965.db2.gz TZTOZWMUTLVNHC-IRXDYDNUSA-N 2 2 353.511 0.331 10 30 FCEELP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000329058176 488964967 /nfs/dbraw/zinc/96/49/67/488964967.db2.gz TZTOZWMUTLVNHC-IRXDYDNUSA-N 2 2 353.511 0.331 10 30 FCEELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)C1 ZINC000247553958 488487851 /nfs/dbraw/zinc/48/78/51/488487851.db2.gz FIDVKAYUMDADKH-MSOLQXFVSA-N 2 2 365.522 0.474 10 30 FCEELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)C1 ZINC000247553958 488487853 /nfs/dbraw/zinc/48/78/53/488487853.db2.gz FIDVKAYUMDADKH-MSOLQXFVSA-N 2 2 365.522 0.474 10 30 FCEELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420090864 489908020 /nfs/dbraw/zinc/90/80/20/489908020.db2.gz ALBOPLKFHQOLMK-MAUKXSAKSA-N 2 2 369.469 0.317 10 30 FCEELP 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2 363.502 0.718 10 30 FCEELP C#CCN(C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C1CC[NH+](C)CC1 ZINC000910886314 1195858011 /nfs/dbraw/zinc/85/80/11/1195858011.db2.gz LOKVOAFUKQDUFS-AEFFLSMTSA-N 2 2 371.485 0.849 10 30 FCEELP N#CCCCC[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000594437823 1196721152 /nfs/dbraw/zinc/72/11/52/1196721152.db2.gz KZEZPKPWFHBOOJ-MRXNPFEDSA-N 2 2 372.473 0.648 10 30 FCEELP CCC1([NH2+]CC(=O)NCC#N)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273763405 1208232025 /nfs/dbraw/zinc/23/20/25/1208232025.db2.gz VAXCROQKJMCQBG-ZIAGYGMSSA-N 2 2 358.446 0.514 10 30 FCEELP CCC1([NH2+]CC(=O)NCC#N)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273763405 1208232030 /nfs/dbraw/zinc/23/20/30/1208232030.db2.gz VAXCROQKJMCQBG-ZIAGYGMSSA-N 2 2 358.446 0.514 10 30 FCEELP C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001488889161 1208558090 /nfs/dbraw/zinc/55/80/90/1208558090.db2.gz PFAVSRJZFWNAIT-OTWHNJEPSA-N 2 2 370.497 0.660 10 30 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C=CCN1C(=O)c2ccc(C(=O)NCC[NH+]3CCC([NH3+])CC3)cc2C1=O ZINC001122157548 1222245947 /nfs/dbraw/zinc/24/59/47/1222245947.db2.gz OSRWQXJZYZIPNO-UHFFFAOYSA-N 2 2 356.426 0.622 10 30 FCEELP C=CCn1c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nnc1[C@]1(C)C[C@@H](O)C[NH+]1C ZINC001520568817 1265938625 /nfs/dbraw/zinc/93/86/25/1265938625.db2.gz ZVEIAESBZSUOHT-NNFUDEMPSA-N 2 2 360.506 0.906 10 30 FCEELP C=CCn1c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)nnc1[C@]1(C)C[C@@H](O)C[NH+]1C ZINC001520568817 1265938627 /nfs/dbraw/zinc/93/86/27/1265938627.db2.gz ZVEIAESBZSUOHT-NNFUDEMPSA-N 2 2 360.506 0.906 10 30 FCEELP C=CCn1c(N2CC[C@@H]3[C@H](CC[NH+]3C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001520568817 1265938633 /nfs/dbraw/zinc/93/86/33/1265938633.db2.gz ZVEIAESBZSUOHT-NNFUDEMPSA-N 2 2 360.506 0.906 10 30 FCEELP C=CCn1c(N2CC[C@@H]3[C@H](CC[NH+]3C)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001520568817 1265938636 /nfs/dbraw/zinc/93/86/36/1265938636.db2.gz ZVEIAESBZSUOHT-NNFUDEMPSA-N 2 2 360.506 0.906 10 30 FCEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001335457761 1259669981 /nfs/dbraw/zinc/66/99/81/1259669981.db2.gz NUVJUOCMPBXDPM-MRXNPFEDSA-N 2 2 371.547 0.675 10 30 FCEELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C#N)ccc1F ZINC001331789673 1266287782 /nfs/dbraw/zinc/28/77/82/1266287782.db2.gz LBDONHGVUQRFTO-ARFHVFGLSA-N 2 2 371.416 0.801 10 30 FCEELP CN(CC(C)(C)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001282321416 1261411833 /nfs/dbraw/zinc/41/18/33/1261411833.db2.gz RNENPGFPCGXIMK-ZIAGYGMSSA-N 2 2 360.462 0.238 10 30 FCEELP C#CC[NH+]1CCC(C(=O)N[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001285657672 1261862875 /nfs/dbraw/zinc/86/28/75/1261862875.db2.gz ZCRFEGLZGFOODG-DJIMGWMZSA-N 2 2 371.485 0.490 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001300695706 1262994385 /nfs/dbraw/zinc/99/43/85/1262994385.db2.gz GRZVYVYTXBPALR-UHFFFAOYSA-N 2 2 368.489 0.831 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C(C)C)CC1 ZINC001300695706 1262994390 /nfs/dbraw/zinc/99/43/90/1262994390.db2.gz GRZVYVYTXBPALR-UHFFFAOYSA-N 2 2 368.489 0.831 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+](C)CCOC)CC1 ZINC001300695686 1262994439 /nfs/dbraw/zinc/99/44/39/1262994439.db2.gz GDIRSABRQQAFNE-UHFFFAOYSA-N 2 2 371.489 0.607 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+](C)CCOC)CC1 ZINC001300695686 1262994445 /nfs/dbraw/zinc/99/44/45/1262994445.db2.gz GDIRSABRQQAFNE-UHFFFAOYSA-N 2 2 371.489 0.607 10 30 FCEELP C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CO2 ZINC001484796845 1263486226 /nfs/dbraw/zinc/48/62/26/1263486226.db2.gz PTCYHQUAROSRSM-IXDOHACOSA-N 2 2 351.491 0.879 10 30 FCEELP C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CO2 ZINC001484796845 1263486233 /nfs/dbraw/zinc/48/62/33/1263486233.db2.gz PTCYHQUAROSRSM-IXDOHACOSA-N 2 2 351.491 0.879 10 30 FCEELP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001485059688 1263498246 /nfs/dbraw/zinc/49/82/46/1263498246.db2.gz BYRHVTVHNNFQJM-QRVBRYPASA-N 2 2 363.502 0.812 10 30 FCEELP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001485059688 1263498248 /nfs/dbraw/zinc/49/82/48/1263498248.db2.gz BYRHVTVHNNFQJM-QRVBRYPASA-N 2 2 363.502 0.812 10 30 FCEELP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001318816532 1263613949 /nfs/dbraw/zinc/61/39/49/1263613949.db2.gz LYDNRLIFCSCBLZ-QRVBRYPASA-N 2 2 363.502 0.718 10 30 FCEELP C=CCO[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001324821598 1264707524 /nfs/dbraw/zinc/70/75/24/1264707524.db2.gz OBXDPNBNTVNFPQ-KRWDZBQOSA-N 2 2 366.506 0.274 10 30 FCEELP C=CCO[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001324821598 1264707538 /nfs/dbraw/zinc/70/75/38/1264707538.db2.gz OBXDPNBNTVNFPQ-KRWDZBQOSA-N 2 2 366.506 0.274 10 30 FCEELP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC(=O)NCC#N ZINC001567305191 1269686771 /nfs/dbraw/zinc/68/67/71/1269686771.db2.gz PJWJNADJULUIIX-SJORKVTESA-N 2 2 357.458 0.020 10 30 FCEELP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC(=O)NCC#N ZINC001567305191 1269686775 /nfs/dbraw/zinc/68/67/75/1269686775.db2.gz PJWJNADJULUIIX-SJORKVTESA-N 2 2 357.458 0.020 10 30 FCEELP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC(=O)NCC#N ZINC001567305191 1269686780 /nfs/dbraw/zinc/68/67/80/1269686780.db2.gz PJWJNADJULUIIX-SJORKVTESA-N 2 2 357.458 0.020 10 30 FCEELP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CC(=O)NCC#N ZINC001567305191 1269686785 /nfs/dbraw/zinc/68/67/85/1269686785.db2.gz PJWJNADJULUIIX-SJORKVTESA-N 2 2 357.458 0.020 10 30 FCEELP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001567856172 1269711367 /nfs/dbraw/zinc/71/13/67/1269711367.db2.gz JLPXBZBVTZUMFL-VSZNYVQBSA-N 2 2 360.502 0.812 10 30 FCEELP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001567856172 1269711371 /nfs/dbraw/zinc/71/13/71/1269711371.db2.gz JLPXBZBVTZUMFL-VSZNYVQBSA-N 2 2 360.502 0.812 10 30 FCEELP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567856172 1269711378 /nfs/dbraw/zinc/71/13/78/1269711378.db2.gz JLPXBZBVTZUMFL-VSZNYVQBSA-N 2 2 360.502 0.812 10 30 FCEELP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567856172 1269711384 /nfs/dbraw/zinc/71/13/84/1269711384.db2.gz JLPXBZBVTZUMFL-VSZNYVQBSA-N 2 2 360.502 0.812 10 30 FCEELP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001713150115 1287267867 /nfs/dbraw/zinc/26/78/67/1287267867.db2.gz ZSLDBRUANZHTMO-GVDBMIGSSA-N 2 2 371.485 0.915 10 30 FCEELP C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001715190847 1287346899 /nfs/dbraw/zinc/34/68/99/1287346899.db2.gz UYFYFOVMLWSVCN-KLHDSHLOSA-N 2 2 357.458 0.290 10 30 FCEELP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001717967670 1287451131 /nfs/dbraw/zinc/45/11/31/1287451131.db2.gz KDJLJWCAFJZDLZ-FMKPAKJESA-N 2 2 361.490 0.946 10 30 FCEELP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001707266083 1287123812 /nfs/dbraw/zinc/12/38/12/1287123812.db2.gz WYRROPNHRDPDRU-PBHICJAKSA-N 2 2 368.441 0.762 10 30 FCEELP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001707266083 1287123816 /nfs/dbraw/zinc/12/38/16/1287123816.db2.gz WYRROPNHRDPDRU-PBHICJAKSA-N 2 2 368.441 0.762 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC[N@@H+](C)CCOC)CC1 ZINC001722438062 1288414635 /nfs/dbraw/zinc/41/46/35/1288414635.db2.gz YXAJIDCLAXRIRR-UHFFFAOYSA-N 2 2 360.506 0.879 10 30 FCEELP C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC[N@H+](C)CCOC)CC1 ZINC001722438062 1288414644 /nfs/dbraw/zinc/41/46/44/1288414644.db2.gz YXAJIDCLAXRIRR-UHFFFAOYSA-N 2 2 360.506 0.879 10 30 FCEELP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001731417217 1288556522 /nfs/dbraw/zinc/55/65/22/1288556522.db2.gz OOAAFBTWEKMLFG-QRVBRYPASA-N 2 2 363.502 0.670 10 30 FCEELP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001731417217 1288556524 /nfs/dbraw/zinc/55/65/24/1288556524.db2.gz OOAAFBTWEKMLFG-QRVBRYPASA-N 2 2 363.502 0.670 10 30 FCEELP C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001731710262 1288562131 /nfs/dbraw/zinc/56/21/31/1288562131.db2.gz DZTKUGLRVUWZCI-ARFHVFGLSA-N 2 2 357.458 0.196 10 30 FCEELP C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001731710262 1288562134 /nfs/dbraw/zinc/56/21/34/1288562134.db2.gz DZTKUGLRVUWZCI-ARFHVFGLSA-N 2 2 357.458 0.196 10 30 FCEELP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001732713781 1288592494 /nfs/dbraw/zinc/59/24/94/1288592494.db2.gz BSTDZJHRUFLGAO-KURKYZTESA-N 2 2 367.490 0.000 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001666219109 1291904229 /nfs/dbraw/zinc/90/42/29/1291904229.db2.gz MHEZPGWRTLOKCK-DJIMGWMZSA-N 2 2 371.485 0.869 10 30 FCEELP C#CCNC(=O)[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001666219109 1291904232 /nfs/dbraw/zinc/90/42/32/1291904232.db2.gz MHEZPGWRTLOKCK-DJIMGWMZSA-N 2 2 371.485 0.869 10 30 FCEELP