smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000012750836 1044503562 /nfs/dbraw/zinc/50/35/62/1044503562.db2.gz ZZPFZWVEPGDDBD-FQEVSTJZSA-N 2 1 340.486 4.212 50 0 EIAAMP C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000012750836 1044503584 /nfs/dbraw/zinc/50/35/84/1044503584.db2.gz ZZPFZWVEPGDDBD-FQEVSTJZSA-N 2 1 340.486 4.212 50 0 EIAAMP C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012750836 1044503608 /nfs/dbraw/zinc/50/36/08/1044503608.db2.gz ZZPFZWVEPGDDBD-FQEVSTJZSA-N 2 1 340.486 4.212 50 0 EIAAMP C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000012750836 1044503624 /nfs/dbraw/zinc/50/36/24/1044503624.db2.gz ZZPFZWVEPGDDBD-FQEVSTJZSA-N 2 1 340.486 4.212 50 0 EIAAMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c3cccnc23)CC1 ZINC000071850358 203127569 /nfs/dbraw/zinc/12/75/69/203127569.db2.gz MFEHZSLAYYFPKJ-UHFFFAOYSA-N 2 1 331.891 4.193 50 0 EIAAMP Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H]1CCC[NH+]2CCCC[C@H]12)CC3 ZINC000072150732 203173211 /nfs/dbraw/zinc/17/32/11/203173211.db2.gz JUHDLKCNXDQJCS-HTAPYJJXSA-N 2 1 337.511 4.099 50 0 EIAAMP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H]1CCC[NH+]2CCCC[C@H]12)CC3 ZINC000072150732 203173214 /nfs/dbraw/zinc/17/32/14/203173214.db2.gz JUHDLKCNXDQJCS-HTAPYJJXSA-N 2 1 337.511 4.099 50 0 EIAAMP Cc1ccc2[nH]c3c(c2c1)C[NH+](C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)CC3 ZINC000072150732 203173217 /nfs/dbraw/zinc/17/32/17/203173217.db2.gz JUHDLKCNXDQJCS-HTAPYJJXSA-N 2 1 337.511 4.099 50 0 EIAAMP Cc1ccc2[nH]c3c(c2c1)C[NH+](C[C@@H]1CCC[N@H+]2CCCC[C@H]12)CC3 ZINC000072150732 203173221 /nfs/dbraw/zinc/17/32/21/203173221.db2.gz JUHDLKCNXDQJCS-HTAPYJJXSA-N 2 1 337.511 4.099 50 0 EIAAMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000000213915 206209371 /nfs/dbraw/zinc/20/93/71/206209371.db2.gz DGWITJVKJIVNMH-QGZVFWFLSA-N 2 1 326.459 4.183 50 0 EIAAMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012194194 563655777 /nfs/dbraw/zinc/65/57/77/563655777.db2.gz UXJYOJFQGOJIRK-UHFFFAOYSA-N 2 1 340.486 4.212 50 0 EIAAMP CCn1c2ccccc2c2cc(C[N@H+](C)C3CC[NH+](C)CC3)ccc21 ZINC000000202114 563917032 /nfs/dbraw/zinc/91/70/32/563917032.db2.gz MIWZOZJYLZOERN-UHFFFAOYSA-N 2 1 335.495 4.340 50 0 EIAAMP CCn1c2ccccc2c2cc(C[N@@H+](C)C3CC[NH+](C)CC3)ccc21 ZINC000000202114 563917033 /nfs/dbraw/zinc/91/70/33/563917033.db2.gz MIWZOZJYLZOERN-UHFFFAOYSA-N 2 1 335.495 4.340 50 0 EIAAMP COc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2ccccc12 ZINC000016662644 563918012 /nfs/dbraw/zinc/91/80/12/563918012.db2.gz SOGPNCBRITVDBJ-UHFFFAOYSA-N 2 1 338.495 4.299 50 0 EIAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(C)cc3)CC2)oc1C ZINC000095422338 564140124 /nfs/dbraw/zinc/14/01/24/564140124.db2.gz NHIVIVCLAUCJOW-KRWDZBQOSA-N 2 1 341.499 4.163 50 0 EIAAMP CCOc1ccccc1C[N@@H+]1CC[C@H](Cc2[nH+]cc(C)n2C(C)C)C1 ZINC000581806484 1060015501 /nfs/dbraw/zinc/01/55/01/1060015501.db2.gz QPJCQFHWYHQQOE-GOSISDBHSA-N 2 1 341.499 4.236 50 0 EIAAMP CCOc1ccccc1C[N@H+]1CC[C@H](Cc2[nH+]cc(C)n2C(C)C)C1 ZINC000581806484 1060015526 /nfs/dbraw/zinc/01/55/26/1060015526.db2.gz QPJCQFHWYHQQOE-GOSISDBHSA-N 2 1 341.499 4.236 50 0 EIAAMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc([C@@H]3CCCCO3)o2)cc1 ZINC000215032061 536002229 /nfs/dbraw/zinc/00/22/29/536002229.db2.gz HCJSFUZIMOMQKN-FQEVSTJZSA-N 2 1 342.483 4.215 50 0 EIAAMP C[N@H+](Cc1ccsc1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012197298 563655929 /nfs/dbraw/zinc/65/59/29/563655929.db2.gz KZELSPPSUQOMHT-UHFFFAOYSA-N 2 1 346.515 4.274 50 0 EIAAMP c1csc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000248408637 564064732 /nfs/dbraw/zinc/06/47/32/564064732.db2.gz CFQKSPRNMVTUEI-LDLYASANSA-N 2 1 326.509 4.076 50 0 EIAAMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCOc4ccccc42)C3)cc1 ZINC000248408659 564064753 /nfs/dbraw/zinc/06/47/53/564064753.db2.gz CGJFPXBAYQZJKY-XWSHUIEDSA-N 2 1 348.490 4.295 50 0 EIAAMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCOc4ccccc42)C3)cc1 ZINC000248408659 564064754 /nfs/dbraw/zinc/06/47/54/564064754.db2.gz CGJFPXBAYQZJKY-XWSHUIEDSA-N 2 1 348.490 4.295 50 0 EIAAMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc4ccccc4n3)CC2)[nH+]1 ZINC000096477887 564148460 /nfs/dbraw/zinc/14/84/60/564148460.db2.gz VESCMSXMACLXQU-KRWDZBQOSA-N 2 1 346.478 4.258 50 0 EIAAMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)o1 ZINC000011815584 1043256241 /nfs/dbraw/zinc/25/62/41/1043256241.db2.gz BKGAGJVJVCZAPP-UHFFFAOYSA-N 2 1 344.474 4.114 50 0 EIAAMP C[C@H](c1cccc(C[N@@H+](C)Cc2ccc3ncccc3c2)c1)[NH+](C)C ZINC000952982237 1049688533 /nfs/dbraw/zinc/68/85/33/1049688533.db2.gz FWILUOXNATZCFM-QGZVFWFLSA-N 2 1 333.479 4.489 50 0 EIAAMP C[NH+]1CCC([NH2+]CC[C@](C)(Cc2ccccc2)c2ccccc2)CC1 ZINC000031807734 202209023 /nfs/dbraw/zinc/20/90/23/202209023.db2.gz YJFGBFWRWATYMM-HSZRJFAPSA-N 2 1 336.523 4.261 50 0 EIAAMP C[C@H](c1ccccn1)[N@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215722566 241141143 /nfs/dbraw/zinc/14/11/43/241141143.db2.gz SKMJBBNAOACBJT-MRXNPFEDSA-N 2 1 329.513 4.322 50 0 EIAAMP C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215722566 241141149 /nfs/dbraw/zinc/14/11/49/241141149.db2.gz SKMJBBNAOACBJT-MRXNPFEDSA-N 2 1 329.513 4.322 50 0 EIAAMP CC(C)CC[C@]1(CC[NH2+]C2CC[NH+](C)CC2)CCO[C@@H](C(C)C)C1 ZINC000008992494 205890900 /nfs/dbraw/zinc/89/09/00/205890900.db2.gz UOPPJLUPPAPMDX-RTWAWAEBSA-N 2 1 338.580 4.318 50 0 EIAAMP C[N@@H+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C[C@H]1CC=CCC1 ZINC000012430185 563660449 /nfs/dbraw/zinc/66/04/49/563660449.db2.gz MYRYIPXWTXOKGR-FQEVSTJZSA-N 2 1 344.518 4.368 50 0 EIAAMP C[N@@H+](CC1CCCC1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012572426 563663464 /nfs/dbraw/zinc/66/34/64/563663464.db2.gz RRMALLDOYFBGGW-UHFFFAOYSA-N 2 1 332.507 4.202 50 0 EIAAMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)c(C)c1C ZINC000011946392 1043742478 /nfs/dbraw/zinc/74/24/78/1043742478.db2.gz BWVVGCBBIBNRCN-QFIPXVFZSA-N 2 1 342.527 4.010 50 0 EIAAMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)c(C)c1C ZINC000011946392 1043742492 /nfs/dbraw/zinc/74/24/92/1043742492.db2.gz BWVVGCBBIBNRCN-QFIPXVFZSA-N 2 1 342.527 4.010 50 0 EIAAMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)c(C)c1C ZINC000011946392 1043742501 /nfs/dbraw/zinc/74/25/01/1043742501.db2.gz BWVVGCBBIBNRCN-QFIPXVFZSA-N 2 1 342.527 4.010 50 0 EIAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000575546559 1045256159 /nfs/dbraw/zinc/25/61/59/1045256159.db2.gz QFEBZXDHQDDUIH-SFHVURJKSA-N 2 1 334.467 4.387 50 0 EIAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000575546559 1045256172 /nfs/dbraw/zinc/25/61/72/1045256172.db2.gz QFEBZXDHQDDUIH-SFHVURJKSA-N 2 1 334.467 4.387 50 0 EIAAMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(SC2CCCCC2)o1 ZINC000952966673 1049686163 /nfs/dbraw/zinc/68/61/63/1049686163.db2.gz FOFYPOFLCBTFDZ-UHFFFAOYSA-N 2 1 333.501 4.389 50 0 EIAAMP C[N@@H+](CCC[C@@H]1CCCO1)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000215570279 241133959 /nfs/dbraw/zinc/13/39/59/241133959.db2.gz DKBJBSBPQYZTNS-QGZVFWFLSA-N 2 1 336.545 4.125 50 0 EIAAMP CC12C[NH+](Cc3ccccc3)CC(C)(C[NH+](Cc3ccccc3)C1)C2 ZINC000004610636 201606940 /nfs/dbraw/zinc/60/69/40/201606940.db2.gz GABOEKFWENWMRP-UHFFFAOYSA-N 2 1 334.507 4.421 50 0 EIAAMP c1cn(CC[C@H]2CCCC[N@H+]2Cc2ccc(-c3ccccn3)cc2)cn1 ZINC000077505989 203391905 /nfs/dbraw/zinc/39/19/05/203391905.db2.gz BIMFAIGQAXVNNU-OAQYLSRUSA-N 2 1 346.478 4.390 50 0 EIAAMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3N3CCCC3)CC2)cc1 ZINC000058165463 564035584 /nfs/dbraw/zinc/03/55/84/564035584.db2.gz AIGZPVSOPWVZAN-UHFFFAOYSA-N 2 1 349.522 4.041 50 0 EIAAMP COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C[NH+](C)C)cs2)c1 ZINC000215409175 241122163 /nfs/dbraw/zinc/12/21/63/241122163.db2.gz WGYRJHAHDNXZBT-IBGZPJMESA-N 2 1 330.497 4.155 50 0 EIAAMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090728963 203010668 /nfs/dbraw/zinc/01/06/68/203010668.db2.gz MLUPXVFQTVBHNU-ZIAGYGMSSA-N 2 1 338.455 4.240 50 0 EIAAMP CCn1ncc(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1C ZINC000072476583 203232164 /nfs/dbraw/zinc/23/21/64/203232164.db2.gz YURSXPWFWHCPAK-NRFANRHFSA-N 2 1 340.515 4.000 50 0 EIAAMP FC(F)Oc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000077341816 203381428 /nfs/dbraw/zinc/38/14/28/203381428.db2.gz QRDHPWGAYNEPGU-KRWDZBQOSA-N 2 1 338.442 4.128 50 0 EIAAMP FC(F)Oc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000077341816 203381430 /nfs/dbraw/zinc/38/14/30/203381430.db2.gz QRDHPWGAYNEPGU-KRWDZBQOSA-N 2 1 338.442 4.128 50 0 EIAAMP c1ccc(CC[NH+]2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000003682043 206472592 /nfs/dbraw/zinc/47/25/92/206472592.db2.gz QXQRADNSWWQJGV-UHFFFAOYSA-N 2 1 338.539 4.108 50 0 EIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000091304397 563975208 /nfs/dbraw/zinc/97/52/08/563975208.db2.gz TVGZKAMMYWXSDF-QFIPXVFZSA-N 2 1 349.522 4.173 50 0 EIAAMP FC(F)(F)c1cccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000091268679 564087444 /nfs/dbraw/zinc/08/74/44/564087444.db2.gz MOUVVLCIJITKCC-SFHVURJKSA-N 2 1 338.417 4.373 50 0 EIAAMP Clc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000023283237 212366140 /nfs/dbraw/zinc/36/61/40/212366140.db2.gz HUAFUIWPRMNURT-UHFFFAOYSA-N 2 1 342.914 4.179 50 0 EIAAMP Cc1c2cccc(C)c2[nH]c1C[NH+]1CCC2(CC1)CCC[N@H+](C)CC2 ZINC000216368658 241185445 /nfs/dbraw/zinc/18/54/45/241185445.db2.gz QYYQKDNMTBKRKB-UHFFFAOYSA-N 2 1 339.527 4.483 50 0 EIAAMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090728956 203009918 /nfs/dbraw/zinc/00/99/18/203009918.db2.gz MLUPXVFQTVBHNU-KGLIPLIRSA-N 2 1 338.455 4.240 50 0 EIAAMP Fc1ccc2nc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2c1 ZINC000077470867 203390475 /nfs/dbraw/zinc/39/04/75/203390475.db2.gz CTTWJLSHUFTWHK-HXUWFJFHSA-N 2 1 341.474 4.214 50 0 EIAAMP Fc1ccc2nc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2c1 ZINC000077470867 203390477 /nfs/dbraw/zinc/39/04/77/203390477.db2.gz CTTWJLSHUFTWHK-HXUWFJFHSA-N 2 1 341.474 4.214 50 0 EIAAMP Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)cc[nH+]1 ZINC000082106311 563972250 /nfs/dbraw/zinc/97/22/50/563972250.db2.gz GODVZDZFJQWHGL-IBGZPJMESA-N 2 1 332.451 4.019 50 0 EIAAMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 ZINC000221896980 564036535 /nfs/dbraw/zinc/03/65/35/564036535.db2.gz JKNMKSPSELCWLY-QFBILLFUSA-N 2 1 348.494 4.050 50 0 EIAAMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000095422808 564140162 /nfs/dbraw/zinc/14/01/62/564140162.db2.gz YOQQOGUMPZQHFB-KBPBESRZSA-N 2 1 338.455 4.067 50 0 EIAAMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc4ccccc4n3)CC2)[nH+]1 ZINC000096477889 564148551 /nfs/dbraw/zinc/14/85/51/564148551.db2.gz VESCMSXMACLXQU-QGZVFWFLSA-N 2 1 346.478 4.258 50 0 EIAAMP C[C@H](Cc1ccccn1)[N@@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000823648965 1044295406 /nfs/dbraw/zinc/29/54/06/1044295406.db2.gz CWALIMLAVBHANF-QGZVFWFLSA-N 2 1 343.540 4.192 50 0 EIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000077344254 203381436 /nfs/dbraw/zinc/38/14/36/203381436.db2.gz TYBYSBRWGBAHEB-QGZVFWFLSA-N 2 1 349.425 4.238 50 0 EIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC000077344254 203381438 /nfs/dbraw/zinc/38/14/38/203381438.db2.gz TYBYSBRWGBAHEB-QGZVFWFLSA-N 2 1 349.425 4.238 50 0 EIAAMP FC(F)(F)c1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000091268676 564087439 /nfs/dbraw/zinc/08/74/39/564087439.db2.gz MOUVVLCIJITKCC-GOSISDBHSA-N 2 1 338.417 4.373 50 0 EIAAMP CCCn1c(C)c[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000581816951 1022860360 /nfs/dbraw/zinc/86/03/60/1022860360.db2.gz UBYYBKJHQDPWGY-GOSISDBHSA-N 2 1 329.463 4.195 50 0 EIAAMP CCCn1c(C)c[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000581816951 1022860362 /nfs/dbraw/zinc/86/03/62/1022860362.db2.gz UBYYBKJHQDPWGY-GOSISDBHSA-N 2 1 329.463 4.195 50 0 EIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)CC3CCCC3)C2)cc1 ZINC000011878841 1043506754 /nfs/dbraw/zinc/50/67/54/1043506754.db2.gz AKADMUNWSXYXGU-NRFANRHFSA-N 2 1 344.543 4.072 50 0 EIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)CC3CCCC3)C2)cc1 ZINC000011878841 1043506764 /nfs/dbraw/zinc/50/67/64/1043506764.db2.gz AKADMUNWSXYXGU-NRFANRHFSA-N 2 1 344.543 4.072 50 0 EIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)CC3CCCC3)C2)cc1 ZINC000011878841 1043506776 /nfs/dbraw/zinc/50/67/76/1043506776.db2.gz AKADMUNWSXYXGU-NRFANRHFSA-N 2 1 344.543 4.072 50 0 EIAAMP CCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000581816952 1060025930 /nfs/dbraw/zinc/02/59/30/1060025930.db2.gz UBYYBKJHQDPWGY-SFHVURJKSA-N 2 1 329.463 4.195 50 0 EIAAMP CCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000581816952 1060025951 /nfs/dbraw/zinc/02/59/51/1060025951.db2.gz UBYYBKJHQDPWGY-SFHVURJKSA-N 2 1 329.463 4.195 50 0 EIAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(C)cc3)CC2)oc1C ZINC000095422337 526852818 /nfs/dbraw/zinc/85/28/18/526852818.db2.gz NHIVIVCLAUCJOW-QGZVFWFLSA-N 2 1 341.499 4.163 50 0 EIAAMP CC[N@H+](CC=C(C)C)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012442650 563660708 /nfs/dbraw/zinc/66/07/08/563660708.db2.gz JHTMWRWEWLSFKH-HXUWFJFHSA-N 2 1 332.507 4.368 50 0 EIAAMP CC[N@@H+](CC=C(C)C)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012442650 563660711 /nfs/dbraw/zinc/66/07/11/563660711.db2.gz JHTMWRWEWLSFKH-HXUWFJFHSA-N 2 1 332.507 4.368 50 0 EIAAMP CC[NH+](CC=C(C)C)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012442650 563660713 /nfs/dbraw/zinc/66/07/13/563660713.db2.gz JHTMWRWEWLSFKH-HXUWFJFHSA-N 2 1 332.507 4.368 50 0 EIAAMP CC[NH+](CC=C(C)C)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012442650 563660715 /nfs/dbraw/zinc/66/07/15/563660715.db2.gz JHTMWRWEWLSFKH-HXUWFJFHSA-N 2 1 332.507 4.368 50 0 EIAAMP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)C2CCSCC2)C1 ZINC000055107708 563933616 /nfs/dbraw/zinc/93/36/16/563933616.db2.gz NEEQOAFAPQZVAI-LJQANCHMSA-N 2 1 346.584 4.077 50 0 EIAAMP Cc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)C2CCSCC2)C1 ZINC000055107708 563933617 /nfs/dbraw/zinc/93/36/17/563933617.db2.gz NEEQOAFAPQZVAI-LJQANCHMSA-N 2 1 346.584 4.077 50 0 EIAAMP Cc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)C2CCSCC2)C1 ZINC000055107708 563933618 /nfs/dbraw/zinc/93/36/18/563933618.db2.gz NEEQOAFAPQZVAI-LJQANCHMSA-N 2 1 346.584 4.077 50 0 EIAAMP CSC[C@@H](C)[NH+](C)Cc1cccc(C[N@H+](C)[C@H](C)CSC)c1 ZINC000106914397 564026768 /nfs/dbraw/zinc/02/67/68/564026768.db2.gz QTDYXQVFJCIBQA-HZPDHXFCSA-N 2 1 340.602 4.053 50 0 EIAAMP c1csc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000248408638 564064742 /nfs/dbraw/zinc/06/47/42/564064742.db2.gz CFQKSPRNMVTUEI-REPLKXPHSA-N 2 1 326.509 4.076 50 0 EIAAMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000095421351 564140053 /nfs/dbraw/zinc/14/00/53/564140053.db2.gz OQAGHVNAUXWCNE-SJORKVTESA-N 2 1 346.544 4.088 50 0 EIAAMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000095421351 564140054 /nfs/dbraw/zinc/14/00/54/564140054.db2.gz OQAGHVNAUXWCNE-SJORKVTESA-N 2 1 346.544 4.088 50 0 EIAAMP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000095422809 564140184 /nfs/dbraw/zinc/14/01/84/564140184.db2.gz YOQQOGUMPZQHFB-ZIAGYGMSSA-N 2 1 338.455 4.067 50 0 EIAAMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)cc1C ZINC000011933563 1043756661 /nfs/dbraw/zinc/75/66/61/1043756661.db2.gz CPXNSCVAUSERJS-QFIPXVFZSA-N 2 1 342.527 4.092 50 0 EIAAMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)cc1C ZINC000011933563 1043756678 /nfs/dbraw/zinc/75/66/78/1043756678.db2.gz CPXNSCVAUSERJS-QFIPXVFZSA-N 2 1 342.527 4.092 50 0 EIAAMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1C ZINC000011933563 1043756696 /nfs/dbraw/zinc/75/66/96/1043756696.db2.gz CPXNSCVAUSERJS-QFIPXVFZSA-N 2 1 342.527 4.092 50 0 EIAAMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc1C ZINC000011933563 1043756719 /nfs/dbraw/zinc/75/67/19/1043756719.db2.gz CPXNSCVAUSERJS-QFIPXVFZSA-N 2 1 342.527 4.092 50 0 EIAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1cnc(C2CCCCC2)nc1 ZINC000952964754 1049684641 /nfs/dbraw/zinc/68/46/41/1049684641.db2.gz DJPKDNUMEMJYPJ-UHFFFAOYSA-N 2 1 341.503 4.024 50 0 EIAAMP C[N@H+](Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055107471 214273082 /nfs/dbraw/zinc/27/30/82/214273082.db2.gz SLBQLKSKWYPRKM-MGPUTAFESA-N 2 1 329.463 4.003 50 0 EIAAMP C[NH+](Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055107471 214273085 /nfs/dbraw/zinc/27/30/85/214273085.db2.gz SLBQLKSKWYPRKM-MGPUTAFESA-N 2 1 329.463 4.003 50 0 EIAAMP C[NH+](Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055107471 214273087 /nfs/dbraw/zinc/27/30/87/214273087.db2.gz SLBQLKSKWYPRKM-MGPUTAFESA-N 2 1 329.463 4.003 50 0 EIAAMP CCC[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](C2CCCCC2)C1 ZINC000055118888 214275946 /nfs/dbraw/zinc/27/59/46/214275946.db2.gz SJQIYXVFAOVVPL-FQEVSTJZSA-N 2 1 329.532 4.338 50 0 EIAAMP CCC[N@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](C2CCCCC2)C1 ZINC000055118888 214275951 /nfs/dbraw/zinc/27/59/51/214275951.db2.gz SJQIYXVFAOVVPL-FQEVSTJZSA-N 2 1 329.532 4.338 50 0 EIAAMP CCC[NH+](Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000055118888 214275954 /nfs/dbraw/zinc/27/59/54/214275954.db2.gz SJQIYXVFAOVVPL-FQEVSTJZSA-N 2 1 329.532 4.338 50 0 EIAAMP CCC[NH+](Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000055118888 214275956 /nfs/dbraw/zinc/27/59/56/214275956.db2.gz SJQIYXVFAOVVPL-FQEVSTJZSA-N 2 1 329.532 4.338 50 0 EIAAMP CCn1ncc(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1C ZINC000072476582 216254770 /nfs/dbraw/zinc/25/47/70/216254770.db2.gz YURSXPWFWHCPAK-OAQYLSRUSA-N 2 1 340.515 4.000 50 0 EIAAMP C[N@@H+](CCC[C@H]1CCCO1)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000215570324 241134608 /nfs/dbraw/zinc/13/46/08/241134608.db2.gz DKBJBSBPQYZTNS-KRWDZBQOSA-N 2 1 336.545 4.125 50 0 EIAAMP CC(C)CC[C@@]1(CC[NH2+]C2CC[NH+](C)CC2)CCO[C@@H](C(C)C)C1 ZINC000008992495 211028038 /nfs/dbraw/zinc/02/80/38/211028038.db2.gz UOPPJLUPPAPMDX-NHCUHLMSSA-N 2 1 338.580 4.318 50 0 EIAAMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cncc(F)c1 ZINC000164996843 226106348 /nfs/dbraw/zinc/10/63/48/226106348.db2.gz QNWGPYRIGBWJJF-IYOUNJFTSA-N 2 1 333.476 4.016 50 0 EIAAMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cncc(F)c1 ZINC000164996843 226106351 /nfs/dbraw/zinc/10/63/51/226106351.db2.gz QNWGPYRIGBWJJF-IYOUNJFTSA-N 2 1 333.476 4.016 50 0 EIAAMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCOc4ccccc42)C3)cc1 ZINC000248408658 564064736 /nfs/dbraw/zinc/06/47/36/564064736.db2.gz CGJFPXBAYQZJKY-XAPVIXHLSA-N 2 1 348.490 4.295 50 0 EIAAMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCOc4ccccc42)C3)cc1 ZINC000248408658 564064737 /nfs/dbraw/zinc/06/47/37/564064737.db2.gz CGJFPXBAYQZJKY-XAPVIXHLSA-N 2 1 348.490 4.295 50 0 EIAAMP C[C@H]1CC(CC[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)C[C@H](C)C1 ZINC000089123511 564081703 /nfs/dbraw/zinc/08/17/03/564081703.db2.gz ZFWGKUIBXXMISA-QZTJIDSGSA-N 2 1 336.564 4.024 50 0 EIAAMP CCCn1c(C)cnc1C[C@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000575317483 1045212454 /nfs/dbraw/zinc/21/24/54/1045212454.db2.gz KTCCKDCZSDHAKD-LJQANCHMSA-N 2 1 341.499 4.065 50 0 EIAAMP CCCn1c(C)c[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000575317483 1045212464 /nfs/dbraw/zinc/21/24/64/1045212464.db2.gz KTCCKDCZSDHAKD-LJQANCHMSA-N 2 1 341.499 4.065 50 0 EIAAMP CCCn1c(C)c[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000575317483 1045212474 /nfs/dbraw/zinc/21/24/74/1045212474.db2.gz KTCCKDCZSDHAKD-LJQANCHMSA-N 2 1 341.499 4.065 50 0 EIAAMP CCc1ccc(-c2cc(N3CC[NH+](C)CC3)c3ccccc3[nH+]2)cc1 ZINC000004542544 210218138 /nfs/dbraw/zinc/21/81/38/210218138.db2.gz YIYISAORDWGJAQ-UHFFFAOYSA-N 2 1 331.463 4.216 50 0 EIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000091304393 563975213 /nfs/dbraw/zinc/97/52/13/563975213.db2.gz TVGZKAMMYWXSDF-JOCHJYFZSA-N 2 1 349.522 4.173 50 0 EIAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc3ccccc32)cn1 ZINC000048782242 564032178 /nfs/dbraw/zinc/03/21/78/564032178.db2.gz VVZMWWJTPNMJIB-UHFFFAOYSA-N 2 1 328.419 4.019 50 0 EIAAMP COc1ccccc1C[NH+]1CCC(C[N@@H+](CC(C)C)C2CCC2)CC1 ZINC000014974145 564035805 /nfs/dbraw/zinc/03/58/05/564035805.db2.gz ZORXYYJUWAVWGM-UHFFFAOYSA-N 2 1 344.543 4.418 50 0 EIAAMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCOc4ccccc42)C3)cc1 ZINC000248408657 564064746 /nfs/dbraw/zinc/06/47/46/564064746.db2.gz CGJFPXBAYQZJKY-KEZQHZCBSA-N 2 1 348.490 4.295 50 0 EIAAMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCOc4ccccc42)C3)cc1 ZINC000248408657 564064747 /nfs/dbraw/zinc/06/47/47/564064747.db2.gz CGJFPXBAYQZJKY-KEZQHZCBSA-N 2 1 348.490 4.295 50 0 EIAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000072172750 216063993 /nfs/dbraw/zinc/06/39/93/216063993.db2.gz QVUUMSSGKDDHOF-HXUWFJFHSA-N 2 1 346.478 4.166 50 0 EIAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000072172750 216063997 /nfs/dbraw/zinc/06/39/97/216063997.db2.gz QVUUMSSGKDDHOF-HXUWFJFHSA-N 2 1 346.478 4.166 50 0 EIAAMP CC[N@H+](Cc1cc(C[NH+]2CCCCC2)cs1)Cc1ccncc1 ZINC000216236219 241175774 /nfs/dbraw/zinc/17/57/74/241175774.db2.gz CSJKBMLQNGEGEO-UHFFFAOYSA-N 2 1 329.513 4.151 50 0 EIAAMP CC[N@@H+](Cc1cc(C[NH+]2CCCCC2)cs1)Cc1ccncc1 ZINC000216236219 241175780 /nfs/dbraw/zinc/17/57/80/241175780.db2.gz CSJKBMLQNGEGEO-UHFFFAOYSA-N 2 1 329.513 4.151 50 0 EIAAMP c1ccc(C2=CC[N@@H+](Cc3cccc(OC4CC[NH2+]CC4)c3)CC2)cc1 ZINC000299788844 258095097 /nfs/dbraw/zinc/09/50/97/258095097.db2.gz TYCWCZGFWVMAQI-UHFFFAOYSA-N 2 1 348.490 4.107 50 0 EIAAMP C[NH+](C)Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccncc2Cl)cc1 ZINC000215648569 536021953 /nfs/dbraw/zinc/02/19/53/536021953.db2.gz MLTCTFXQUXSSEC-LJQANCHMSA-N 2 1 329.875 4.134 50 0 EIAAMP C[NH+](C)Cc1ccc([C@H]2CCC[N@H+]2Cc2ccncc2Cl)cc1 ZINC000215648569 536021956 /nfs/dbraw/zinc/02/19/56/536021956.db2.gz MLTCTFXQUXSSEC-LJQANCHMSA-N 2 1 329.875 4.134 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000096478411 563955132 /nfs/dbraw/zinc/95/51/32/563955132.db2.gz FMSNPGKCZILYJI-FCEWJHQRSA-N 2 1 346.544 4.259 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000096478411 563955134 /nfs/dbraw/zinc/95/51/34/563955134.db2.gz FMSNPGKCZILYJI-FCEWJHQRSA-N 2 1 346.544 4.259 50 0 EIAAMP C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cncc(F)c1 ZINC000248149335 563995329 /nfs/dbraw/zinc/99/53/29/563995329.db2.gz QNWGPYRIGBWJJF-SUNYJGFJSA-N 2 1 333.476 4.016 50 0 EIAAMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cncc(F)c1 ZINC000248149335 563995330 /nfs/dbraw/zinc/99/53/30/563995330.db2.gz QNWGPYRIGBWJJF-SUNYJGFJSA-N 2 1 333.476 4.016 50 0 EIAAMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cncc(F)c1 ZINC000248149335 563995331 /nfs/dbraw/zinc/99/53/31/563995331.db2.gz QNWGPYRIGBWJJF-SUNYJGFJSA-N 2 1 333.476 4.016 50 0 EIAAMP C[NH+]1CCC([NH2+]CC[C@](C)(c2cccs2)c2ccccc2)CC1 ZINC000031808698 564159924 /nfs/dbraw/zinc/15/99/24/564159924.db2.gz ARUHXPBBCKUSRX-FQEVSTJZSA-N 2 1 328.525 4.128 50 0 EIAAMP C[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000012750840 1044505294 /nfs/dbraw/zinc/50/52/94/1044505294.db2.gz ZZPFZWVEPGDDBD-HXUWFJFHSA-N 2 1 340.486 4.212 50 0 EIAAMP C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000012750840 1044505312 /nfs/dbraw/zinc/50/53/12/1044505312.db2.gz ZZPFZWVEPGDDBD-HXUWFJFHSA-N 2 1 340.486 4.212 50 0 EIAAMP C[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012750840 1044505327 /nfs/dbraw/zinc/50/53/27/1044505327.db2.gz ZZPFZWVEPGDDBD-HXUWFJFHSA-N 2 1 340.486 4.212 50 0 EIAAMP C[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000012750840 1044505348 /nfs/dbraw/zinc/50/53/48/1044505348.db2.gz ZZPFZWVEPGDDBD-HXUWFJFHSA-N 2 1 340.486 4.212 50 0 EIAAMP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)C2CCSCC2)C1 ZINC000055107710 214272971 /nfs/dbraw/zinc/27/29/71/214272971.db2.gz NEEQOAFAPQZVAI-IBGZPJMESA-N 2 1 346.584 4.077 50 0 EIAAMP Cc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)C2CCSCC2)C1 ZINC000055107710 214272976 /nfs/dbraw/zinc/27/29/76/214272976.db2.gz NEEQOAFAPQZVAI-IBGZPJMESA-N 2 1 346.584 4.077 50 0 EIAAMP Cc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)C2CCSCC2)C1 ZINC000055107710 214272980 /nfs/dbraw/zinc/27/29/80/214272980.db2.gz NEEQOAFAPQZVAI-IBGZPJMESA-N 2 1 346.584 4.077 50 0 EIAAMP CCC[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH+](C2CCCCC2)C1 ZINC000055118890 214276160 /nfs/dbraw/zinc/27/61/60/214276160.db2.gz SJQIYXVFAOVVPL-HXUWFJFHSA-N 2 1 329.532 4.338 50 0 EIAAMP CCC[N@H+](Cc1cccnc1)C[C@H]1CCC[NH+](C2CCCCC2)C1 ZINC000055118890 214276165 /nfs/dbraw/zinc/27/61/65/214276165.db2.gz SJQIYXVFAOVVPL-HXUWFJFHSA-N 2 1 329.532 4.338 50 0 EIAAMP CCC[NH+](Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000055118890 214276168 /nfs/dbraw/zinc/27/61/68/214276168.db2.gz SJQIYXVFAOVVPL-HXUWFJFHSA-N 2 1 329.532 4.338 50 0 EIAAMP CCC[NH+](Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000055118890 214276172 /nfs/dbraw/zinc/27/61/72/214276172.db2.gz SJQIYXVFAOVVPL-HXUWFJFHSA-N 2 1 329.532 4.338 50 0 EIAAMP c1sc(C[N@H+](Cc2ccncc2)C2CC2)cc1C[NH+]1CCCCC1 ZINC000097757885 219054393 /nfs/dbraw/zinc/05/43/93/219054393.db2.gz ZABAAIIPHVUXAJ-UHFFFAOYSA-N 2 1 341.524 4.294 50 0 EIAAMP c1sc(C[N@@H+](Cc2ccncc2)C2CC2)cc1C[NH+]1CCCCC1 ZINC000097757885 219054395 /nfs/dbraw/zinc/05/43/95/219054395.db2.gz ZABAAIIPHVUXAJ-UHFFFAOYSA-N 2 1 341.524 4.294 50 0 EIAAMP Cc1ccsc1C[N@@H+](Cc1ccccn1)CC1(C)CC[NH+](C)CC1 ZINC000055403796 214319740 /nfs/dbraw/zinc/31/97/40/214319740.db2.gz XNSHTPZUZDJSDY-UHFFFAOYSA-N 2 1 343.540 4.186 50 0 EIAAMP Cc1cc(C[NH+]2CCCC2)ccc1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072409701 216200944 /nfs/dbraw/zinc/20/09/44/216200944.db2.gz OJPWCVZEGLBEHC-LEWJYISDSA-N 2 1 342.527 4.234 50 0 EIAAMP C[NH+]1CCC(C[N@@H+](CCc2ccccc2)Cc2ccccc2F)CC1 ZINC000012204251 211320700 /nfs/dbraw/zinc/32/07/00/211320700.db2.gz MKLVPHLDYFLQBG-UHFFFAOYSA-N 2 1 340.486 4.212 50 0 EIAAMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc([C@H]3CCCCO3)o2)cc1 ZINC000215032110 536001799 /nfs/dbraw/zinc/00/17/99/536001799.db2.gz HCJSFUZIMOMQKN-HXUWFJFHSA-N 2 1 342.483 4.215 50 0 EIAAMP FC(F)(F)c1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000000212548 563917140 /nfs/dbraw/zinc/91/71/40/563917140.db2.gz UCEHXIKITZDDGN-UHFFFAOYSA-N 2 1 348.412 4.460 50 0 EIAAMP Clc1ccccc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000000756989 563917722 /nfs/dbraw/zinc/91/77/22/563917722.db2.gz AAJPBQZZYDBFLT-UHFFFAOYSA-N 2 1 328.887 4.137 50 0 EIAAMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000000213910 564012213 /nfs/dbraw/zinc/01/22/13/564012213.db2.gz DGWITJVKJIVNMH-KRWDZBQOSA-N 2 1 326.459 4.183 50 0 EIAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1[nH]c2ccc(Cl)cc2c1C ZINC000952988340 1049691568 /nfs/dbraw/zinc/69/15/68/1049691568.db2.gz NPSNYHQLOGYMTL-UHFFFAOYSA-N 2 1 330.863 4.069 50 0 EIAAMP CSc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000055197063 214287109 /nfs/dbraw/zinc/28/71/09/214287109.db2.gz OYRRUAPTYQETKH-FQEVSTJZSA-N 2 1 330.541 4.106 50 0 EIAAMP CSc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000055197063 214287114 /nfs/dbraw/zinc/28/71/14/214287114.db2.gz OYRRUAPTYQETKH-FQEVSTJZSA-N 2 1 330.541 4.106 50 0 EIAAMP CSc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000055197063 214287118 /nfs/dbraw/zinc/28/71/18/214287118.db2.gz OYRRUAPTYQETKH-FQEVSTJZSA-N 2 1 330.541 4.106 50 0 EIAAMP CSc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000055197063 214287121 /nfs/dbraw/zinc/28/71/21/214287121.db2.gz OYRRUAPTYQETKH-FQEVSTJZSA-N 2 1 330.541 4.106 50 0 EIAAMP C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215722514 241139054 /nfs/dbraw/zinc/13/90/54/241139054.db2.gz SKMJBBNAOACBJT-INIZCTEOSA-N 2 1 329.513 4.322 50 0 EIAAMP C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215722514 241139062 /nfs/dbraw/zinc/13/90/62/241139062.db2.gz SKMJBBNAOACBJT-INIZCTEOSA-N 2 1 329.513 4.322 50 0 EIAAMP C[N@@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C[C@@H]1CC=CCC1 ZINC000012301619 211337379 /nfs/dbraw/zinc/33/73/79/211337379.db2.gz MHQJBGLWYMNCRC-HXUWFJFHSA-N 2 1 344.518 4.368 50 0 EIAAMP Fc1ccc(/C=C/C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000012072535 211286957 /nfs/dbraw/zinc/28/69/57/211286957.db2.gz XIZVMQSCBXHXHT-SGRIQBTBSA-N 2 1 328.475 4.037 50 0 EIAAMP Fc1ccc(/C=C/C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000012072535 211286961 /nfs/dbraw/zinc/28/69/61/211286961.db2.gz XIZVMQSCBXHXHT-SGRIQBTBSA-N 2 1 328.475 4.037 50 0 EIAAMP Fc1ccc(/C=C/C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000012072535 211286965 /nfs/dbraw/zinc/28/69/65/211286965.db2.gz XIZVMQSCBXHXHT-SGRIQBTBSA-N 2 1 328.475 4.037 50 0 EIAAMP Fc1ccc(/C=C/C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cc1 ZINC000012072535 211286968 /nfs/dbraw/zinc/28/69/68/211286968.db2.gz XIZVMQSCBXHXHT-SGRIQBTBSA-N 2 1 328.475 4.037 50 0 EIAAMP C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cncc(F)c1 ZINC000248149333 563995324 /nfs/dbraw/zinc/99/53/24/563995324.db2.gz QNWGPYRIGBWJJF-PMUMKWKESA-N 2 1 333.476 4.016 50 0 EIAAMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cncc(F)c1 ZINC000248149333 563995325 /nfs/dbraw/zinc/99/53/25/563995325.db2.gz QNWGPYRIGBWJJF-PMUMKWKESA-N 2 1 333.476 4.016 50 0 EIAAMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cncc(F)c1 ZINC000248149333 563995326 /nfs/dbraw/zinc/99/53/26/563995326.db2.gz QNWGPYRIGBWJJF-PMUMKWKESA-N 2 1 333.476 4.016 50 0 EIAAMP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000000212522 564012244 /nfs/dbraw/zinc/01/22/44/564012244.db2.gz USSRJIISWXGUKV-KRWDZBQOSA-N 2 1 326.459 4.011 50 0 EIAAMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 ZINC000221897042 564036591 /nfs/dbraw/zinc/03/65/91/564036591.db2.gz JKNMKSPSELCWLY-LPHOPBHVSA-N 2 1 348.494 4.050 50 0 EIAAMP C[C@@H](Cc1ccccn1)[N@@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000823648964 1044294536 /nfs/dbraw/zinc/29/45/36/1044294536.db2.gz CWALIMLAVBHANF-KRWDZBQOSA-N 2 1 343.540 4.192 50 0 EIAAMP CCCCOc1ccc(C[NH2+]CCC[NH+](CC)CC)cc1OCC ZINC000004686979 210247236 /nfs/dbraw/zinc/24/72/36/210247236.db2.gz HSDGSLLBDKEQAB-UHFFFAOYSA-N 2 1 336.520 4.086 50 0 EIAAMP C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000299777694 258087747 /nfs/dbraw/zinc/08/77/47/258087747.db2.gz FMRYILYFMIRHNM-GOSISDBHSA-N 2 1 344.524 4.291 50 0 EIAAMP C[C@@H]1CC(CC[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)C[C@@H](C)C1 ZINC000089123510 564081694 /nfs/dbraw/zinc/08/16/94/564081694.db2.gz ZFWGKUIBXXMISA-ROUUACIJSA-N 2 1 336.564 4.024 50 0 EIAAMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](C)C1 ZINC000095967985 564143156 /nfs/dbraw/zinc/14/31/56/564143156.db2.gz JKNMKSPSELCWLY-APWZRJJASA-N 2 1 348.494 4.050 50 0 EIAAMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cc1C ZINC000011933562 1043754921 /nfs/dbraw/zinc/75/49/21/1043754921.db2.gz CPXNSCVAUSERJS-JOCHJYFZSA-N 2 1 342.527 4.092 50 0 EIAAMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cc1C ZINC000011933562 1043754938 /nfs/dbraw/zinc/75/49/38/1043754938.db2.gz CPXNSCVAUSERJS-JOCHJYFZSA-N 2 1 342.527 4.092 50 0 EIAAMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1C ZINC000011933562 1043754952 /nfs/dbraw/zinc/75/49/52/1043754952.db2.gz CPXNSCVAUSERJS-JOCHJYFZSA-N 2 1 342.527 4.092 50 0 EIAAMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc1C ZINC000011933562 1043754965 /nfs/dbraw/zinc/75/49/65/1043754965.db2.gz CPXNSCVAUSERJS-JOCHJYFZSA-N 2 1 342.527 4.092 50 0 EIAAMP CCn1ccc2c1cccc2C[N@H+]1CCCN(c2cc[nH+]cc2C)CC1 ZINC000952969797 1049684515 /nfs/dbraw/zinc/68/45/15/1049684515.db2.gz JZYGGCKAFMATGX-UHFFFAOYSA-N 2 1 348.494 4.077 50 0 EIAAMP C[N@@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C[C@H]1CC=CCC1 ZINC000012301617 211337408 /nfs/dbraw/zinc/33/74/08/211337408.db2.gz MHQJBGLWYMNCRC-FQEVSTJZSA-N 2 1 344.518 4.368 50 0 EIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091494368 218014133 /nfs/dbraw/zinc/01/41/33/218014133.db2.gz IQOUMVXCXXPKLM-JOCHJYFZSA-N 2 1 349.522 4.173 50 0 EIAAMP C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000299777708 258087468 /nfs/dbraw/zinc/08/74/68/258087468.db2.gz FMRYILYFMIRHNM-SFHVURJKSA-N 2 1 344.524 4.291 50 0 EIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000077379502 563969259 /nfs/dbraw/zinc/96/92/59/563969259.db2.gz MZHHWXOABWIAHW-SGSXCFNPSA-N 2 1 327.447 4.289 50 0 EIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000077379502 563969260 /nfs/dbraw/zinc/96/92/60/563969260.db2.gz MZHHWXOABWIAHW-SGSXCFNPSA-N 2 1 327.447 4.289 50 0 EIAAMP c1cn(CC2CC2)c([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)[nH+]1 ZINC000082099866 563972279 /nfs/dbraw/zinc/97/22/79/563972279.db2.gz MSYSQNVXCJKLRE-QGZVFWFLSA-N 2 1 332.451 4.225 50 0 EIAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000097604268 219041207 /nfs/dbraw/zinc/04/12/07/219041207.db2.gz FSHQETYHOUTJFD-QFIPXVFZSA-N 2 1 345.490 4.130 50 0 EIAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000097604268 219041209 /nfs/dbraw/zinc/04/12/09/219041209.db2.gz FSHQETYHOUTJFD-QFIPXVFZSA-N 2 1 345.490 4.130 50 0 EIAAMP CC(C)c1cc(C2CC[NH+](Cc3cccn3-c3cc[nH+]cc3)CC2)n[nH]1 ZINC000067884448 215241221 /nfs/dbraw/zinc/24/12/21/215241221.db2.gz RHKJYDXVOSTUMU-UHFFFAOYSA-N 2 1 349.482 4.098 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000096478407 563955142 /nfs/dbraw/zinc/95/51/42/563955142.db2.gz FMSNPGKCZILYJI-BXWFABGCSA-N 2 1 346.544 4.259 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000096478407 563955144 /nfs/dbraw/zinc/95/51/44/563955144.db2.gz FMSNPGKCZILYJI-BXWFABGCSA-N 2 1 346.544 4.259 50 0 EIAAMP Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090728961 564086277 /nfs/dbraw/zinc/08/62/77/564086277.db2.gz MLUPXVFQTVBHNU-UONOGXRCSA-N 2 1 338.455 4.240 50 0 EIAAMP COc1cccc(C[N@H+]2CCC[C@H](Cc3ncc(C)n3C(C)C)C2)c1 ZINC000575317104 1045213057 /nfs/dbraw/zinc/21/30/57/1045213057.db2.gz BDRFUMHEMJVZDA-LJQANCHMSA-N 2 1 341.499 4.236 50 0 EIAAMP COc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000575317104 1045213065 /nfs/dbraw/zinc/21/30/65/1045213065.db2.gz BDRFUMHEMJVZDA-LJQANCHMSA-N 2 1 341.499 4.236 50 0 EIAAMP COc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000575317104 1045213073 /nfs/dbraw/zinc/21/30/73/1045213073.db2.gz BDRFUMHEMJVZDA-LJQANCHMSA-N 2 1 341.499 4.236 50 0 EIAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000575546539 1045255407 /nfs/dbraw/zinc/25/54/07/1045255407.db2.gz QFEBZXDHQDDUIH-GOSISDBHSA-N 2 1 334.467 4.387 50 0 EIAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000575546539 1045255414 /nfs/dbraw/zinc/25/54/14/1045255414.db2.gz QFEBZXDHQDDUIH-GOSISDBHSA-N 2 1 334.467 4.387 50 0 EIAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000072167622 216057898 /nfs/dbraw/zinc/05/78/98/216057898.db2.gz KPPGPOHXHWUZOM-HXUWFJFHSA-N 2 1 346.478 4.166 50 0 EIAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000072167622 216057901 /nfs/dbraw/zinc/05/79/01/216057901.db2.gz KPPGPOHXHWUZOM-HXUWFJFHSA-N 2 1 346.478 4.166 50 0 EIAAMP C[C@@H](c1ccc(C[N@@H+](C)Cc2ccccc2C[NH+](C)C)cc1)[NH+](C)C ZINC000215201587 241112064 /nfs/dbraw/zinc/11/20/64/241112064.db2.gz LTEYKKQVMWWNRW-SFHVURJKSA-N 3 1 339.527 4.003 50 0 EIAAMP C[N@@H+](CC1CC[NH+](CCc2ccccc2F)CC1)C[C@H]1CC=CCC1 ZINC000012194423 211315108 /nfs/dbraw/zinc/31/51/08/211315108.db2.gz NQTLBBDMWXJRJB-IBGZPJMESA-N 2 1 344.518 4.368 50 0 EIAAMP CC[NH+]1CCC([N@H+]2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011821496 211251994 /nfs/dbraw/zinc/25/19/94/211251994.db2.gz ZCAUEWMCBJHBIE-HXUWFJFHSA-N 2 1 329.532 4.171 50 0 EIAAMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011821496 211251990 /nfs/dbraw/zinc/25/19/90/211251990.db2.gz ZCAUEWMCBJHBIE-HXUWFJFHSA-N 2 1 329.532 4.171 50 0 EIAAMP C/C(=C\c1ccco1)C[N@@H+](C)CC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000014971203 563769016 /nfs/dbraw/zinc/76/90/16/563769016.db2.gz IUGQCJQXBDDKBQ-GHRIWEEISA-N 2 1 342.483 4.428 50 0 EIAAMP Clc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000000757099 563917735 /nfs/dbraw/zinc/91/77/35/563917735.db2.gz LAUXDMAZKBDZNL-UHFFFAOYSA-N 2 1 328.887 4.137 50 0 EIAAMP Cc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082107043 563972305 /nfs/dbraw/zinc/97/23/05/563972305.db2.gz SXYDHSIBVQLYJT-LJQANCHMSA-N 2 1 332.451 4.019 50 0 EIAAMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000248742703 564078197 /nfs/dbraw/zinc/07/81/97/564078197.db2.gz AIDCRVKUMDYKPU-KANFNMMFSA-N 2 1 341.524 4.032 50 0 EIAAMP c1sc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1C[NH+]1CCCCC1 ZINC000820414276 1043855221 /nfs/dbraw/zinc/85/52/21/1043855221.db2.gz ZZWOYYBUIOKKNV-FQEVSTJZSA-N 2 1 341.524 4.466 50 0 EIAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000072167623 216057028 /nfs/dbraw/zinc/05/70/28/216057028.db2.gz KPPGPOHXHWUZOM-FQEVSTJZSA-N 2 1 346.478 4.166 50 0 EIAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000072167623 216057032 /nfs/dbraw/zinc/05/70/32/216057032.db2.gz KPPGPOHXHWUZOM-FQEVSTJZSA-N 2 1 346.478 4.166 50 0 EIAAMP CC(C)[N@@H+](C)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012387095 211364117 /nfs/dbraw/zinc/36/41/17/211364117.db2.gz DPTCKRFBBMMPDQ-QGZVFWFLSA-N 2 1 342.449 4.300 50 0 EIAAMP CC(C)[NH+](C)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012387095 211364119 /nfs/dbraw/zinc/36/41/19/211364119.db2.gz DPTCKRFBBMMPDQ-QGZVFWFLSA-N 2 1 342.449 4.300 50 0 EIAAMP CC(C)[NH+](C)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012387095 211364126 /nfs/dbraw/zinc/36/41/26/211364126.db2.gz DPTCKRFBBMMPDQ-QGZVFWFLSA-N 2 1 342.449 4.300 50 0 EIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cccc(F)c3)CC2)o1 ZINC000012200479 211319437 /nfs/dbraw/zinc/31/94/37/211319437.db2.gz UCLDRNUQURWYEV-UHFFFAOYSA-N 2 1 330.447 4.071 50 0 EIAAMP CC[C@@H](C)CC[NH2+]C1CCN(c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000048371809 563930393 /nfs/dbraw/zinc/93/03/93/563930393.db2.gz KPVGIFRSSADMAI-QGZVFWFLSA-N 2 1 340.515 4.175 50 0 EIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000077379504 563969282 /nfs/dbraw/zinc/96/92/82/563969282.db2.gz MZHHWXOABWIAHW-DPZZJQGRSA-N 2 1 327.447 4.289 50 0 EIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000077379504 563969283 /nfs/dbraw/zinc/96/92/83/563969283.db2.gz MZHHWXOABWIAHW-DPZZJQGRSA-N 2 1 327.447 4.289 50 0 EIAAMP c1ccc(CC[NH+]2CCC([NH2+]C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000004022115 1022741767 /nfs/dbraw/zinc/74/17/67/1022741767.db2.gz GRPIFHSQCDTSNH-UHFFFAOYSA-N 2 1 338.539 4.252 50 0 EIAAMP CC[NH+]1CCC2(CC1)C[N@H+](C1CCCCC1)Cc1ccccc1O2 ZINC000257193034 1022765032 /nfs/dbraw/zinc/76/50/32/1022765032.db2.gz RFDSWYHJMHGQBR-UHFFFAOYSA-N 2 1 328.500 4.068 50 0 EIAAMP CC(C)[NH+]1CCC2(CC1)C[N@H+](C1CCCCC1)Cc1ccccc1O2 ZINC000257194840 1022782787 /nfs/dbraw/zinc/78/27/87/1022782787.db2.gz UTNNOCMKKPRBCI-UHFFFAOYSA-N 2 1 342.527 4.457 50 0 EIAAMP Cc1cnc(C[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575317339 1045211953 /nfs/dbraw/zinc/21/19/53/1045211953.db2.gz GFGZHANKAKHDMI-SFHVURJKSA-N 2 1 329.463 4.366 50 0 EIAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575317339 1045211962 /nfs/dbraw/zinc/21/19/62/1045211962.db2.gz GFGZHANKAKHDMI-SFHVURJKSA-N 2 1 329.463 4.366 50 0 EIAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575317339 1045211975 /nfs/dbraw/zinc/21/19/75/1045211975.db2.gz GFGZHANKAKHDMI-SFHVURJKSA-N 2 1 329.463 4.366 50 0 EIAAMP c1cc(-c2ccccn2)sc1C[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000063881607 1045271404 /nfs/dbraw/zinc/27/14/04/1045271404.db2.gz LAGZMBDMPJTICS-QFBILLFUSA-N 2 1 341.524 4.164 50 0 EIAAMP Cc1cccnc1C[C@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000215856146 241149923 /nfs/dbraw/zinc/14/99/23/241149923.db2.gz DZCQISWZTDPXBZ-KRWDZBQOSA-N 2 1 343.540 4.110 50 0 EIAAMP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC000077341361 563969010 /nfs/dbraw/zinc/96/90/10/563969010.db2.gz YZKVDMZQMYQGFY-KRWDZBQOSA-N 2 1 338.442 4.128 50 0 EIAAMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC000077341361 563969011 /nfs/dbraw/zinc/96/90/11/563969011.db2.gz YZKVDMZQMYQGFY-KRWDZBQOSA-N 2 1 338.442 4.128 50 0 EIAAMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000248742709 564078190 /nfs/dbraw/zinc/07/81/90/564078190.db2.gz AIDCRVKUMDYKPU-OQIJWPOYSA-N 2 1 341.524 4.032 50 0 EIAAMP CC(C)Oc1ccc([C@@H](CC[NH2+]C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000031817900 564159963 /nfs/dbraw/zinc/15/99/63/564159963.db2.gz UPCRAPFPEZOGTA-NRFANRHFSA-N 2 1 332.532 4.287 50 0 EIAAMP C[C@H](c1ccc(C[N@@H+](C)Cc2ccccc2C[NH+](C)C)cc1)[NH+](C)C ZINC000215201636 241111198 /nfs/dbraw/zinc/11/11/98/241111198.db2.gz LTEYKKQVMWWNRW-GOSISDBHSA-N 3 1 339.527 4.003 50 0 EIAAMP C[N@H+](Cc1cc(F)cc(F)c1)Cc1ccccc1C[NH+]1CCCC1 ZINC000216338563 536458977 /nfs/dbraw/zinc/45/89/77/536458977.db2.gz MJFHPNQVFMUHMV-UHFFFAOYSA-N 2 1 330.422 4.193 50 0 EIAAMP C[N@@H+](Cc1cc(F)cc(F)c1)Cc1ccccc1C[NH+]1CCCC1 ZINC000216338563 536458980 /nfs/dbraw/zinc/45/89/80/536458980.db2.gz MJFHPNQVFMUHMV-UHFFFAOYSA-N 2 1 330.422 4.193 50 0 EIAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccs3)CC2)cs1 ZINC000095422297 564140021 /nfs/dbraw/zinc/14/00/21/564140021.db2.gz QCSKNRNXMPCGFU-ZDUSSCGKSA-N 2 1 335.542 4.076 50 0 EIAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575548716 1045258173 /nfs/dbraw/zinc/25/81/73/1045258173.db2.gz JAURXPAPCACSER-GOSISDBHSA-N 2 1 334.467 4.008 50 0 EIAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575548716 1045258183 /nfs/dbraw/zinc/25/81/83/1045258183.db2.gz JAURXPAPCACSER-GOSISDBHSA-N 2 1 334.467 4.008 50 0 EIAAMP CC(C)[N@@H+](C)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012387094 211365064 /nfs/dbraw/zinc/36/50/64/211365064.db2.gz DPTCKRFBBMMPDQ-KRWDZBQOSA-N 2 1 342.449 4.300 50 0 EIAAMP CC(C)[NH+](C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012387094 211365066 /nfs/dbraw/zinc/36/50/66/211365066.db2.gz DPTCKRFBBMMPDQ-KRWDZBQOSA-N 2 1 342.449 4.300 50 0 EIAAMP CC(C)[NH+](C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012387094 211365068 /nfs/dbraw/zinc/36/50/68/211365068.db2.gz DPTCKRFBBMMPDQ-KRWDZBQOSA-N 2 1 342.449 4.300 50 0 EIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091494370 218013745 /nfs/dbraw/zinc/01/37/45/218013745.db2.gz IQOUMVXCXXPKLM-QFIPXVFZSA-N 2 1 349.522 4.173 50 0 EIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccc(F)cc3F)CC2)o1 ZINC000014968816 563769172 /nfs/dbraw/zinc/76/91/72/563769172.db2.gz XBZLUAMMYLCJMH-UHFFFAOYSA-N 2 1 348.437 4.210 50 0 EIAAMP c1cncc(C[N@@H+](CC2CC2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012320875 211345997 /nfs/dbraw/zinc/34/59/97/211345997.db2.gz SFPJFERMKJCDCN-NRFANRHFSA-N 2 1 341.543 4.338 50 0 EIAAMP c1cncc(C[NH+](CC2CC2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000012320875 211345999 /nfs/dbraw/zinc/34/59/99/211345999.db2.gz SFPJFERMKJCDCN-NRFANRHFSA-N 2 1 341.543 4.338 50 0 EIAAMP c1cncc(C[NH+](CC2CC2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012320875 211346003 /nfs/dbraw/zinc/34/60/03/211346003.db2.gz SFPJFERMKJCDCN-NRFANRHFSA-N 2 1 341.543 4.338 50 0 EIAAMP CC[NH+]1CCC([N@@H+]2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011821497 211252896 /nfs/dbraw/zinc/25/28/96/211252896.db2.gz ZCAUEWMCBJHBIE-FQEVSTJZSA-N 2 1 329.532 4.171 50 0 EIAAMP CC[NH+]1CCC([N@H+]2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011821497 211252897 /nfs/dbraw/zinc/25/28/97/211252897.db2.gz ZCAUEWMCBJHBIE-FQEVSTJZSA-N 2 1 329.532 4.171 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000095421352 218363162 /nfs/dbraw/zinc/36/31/62/218363162.db2.gz OQAGHVNAUXWCNE-IRXDYDNUSA-N 2 1 346.544 4.088 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000095421352 218363166 /nfs/dbraw/zinc/36/31/66/218363166.db2.gz OQAGHVNAUXWCNE-IRXDYDNUSA-N 2 1 346.544 4.088 50 0 EIAAMP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000095422807 564140160 /nfs/dbraw/zinc/14/01/60/564140160.db2.gz YOQQOGUMPZQHFB-KGLIPLIRSA-N 2 1 338.455 4.067 50 0 EIAAMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)c(C)c1C ZINC000011946388 1043742983 /nfs/dbraw/zinc/74/29/83/1043742983.db2.gz BWVVGCBBIBNRCN-JOCHJYFZSA-N 2 1 342.527 4.010 50 0 EIAAMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c(C)c1C ZINC000011946388 1043742995 /nfs/dbraw/zinc/74/29/95/1043742995.db2.gz BWVVGCBBIBNRCN-JOCHJYFZSA-N 2 1 342.527 4.010 50 0 EIAAMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c(C)c1C ZINC000011946388 1043743010 /nfs/dbraw/zinc/74/30/10/1043743010.db2.gz BWVVGCBBIBNRCN-JOCHJYFZSA-N 2 1 342.527 4.010 50 0 EIAAMP Cc1nc(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072146868 216033187 /nfs/dbraw/zinc/03/31/87/216033187.db2.gz RROFHRXDVGMTGJ-IBGZPJMESA-N 2 1 329.513 4.240 50 0 EIAAMP Cc1nc(C[N@@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072146868 216033191 /nfs/dbraw/zinc/03/31/91/216033191.db2.gz RROFHRXDVGMTGJ-IBGZPJMESA-N 2 1 329.513 4.240 50 0 EIAAMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000004989401 210351387 /nfs/dbraw/zinc/35/13/87/210351387.db2.gz ZCZCAJIXYAHDAP-UHFFFAOYSA-N 2 1 348.412 4.460 50 0 EIAAMP Cc1c[nH+]ccc1N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095530581 563977545 /nfs/dbraw/zinc/97/75/45/563977545.db2.gz OBEANEBYBFKNHH-UHFFFAOYSA-N 2 1 332.451 4.019 50 0 EIAAMP CC(C)CC[C@@H](CC[NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000002208783 564121211 /nfs/dbraw/zinc/12/12/11/564121211.db2.gz PGDITDMWDRQRTE-KRWDZBQOSA-N 2 1 346.515 4.009 50 0 EIAAMP Cc1cnc(C[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575317333 1045211846 /nfs/dbraw/zinc/21/18/46/1045211846.db2.gz GFGZHANKAKHDMI-GOSISDBHSA-N 2 1 329.463 4.366 50 0 EIAAMP Cc1c[nH+]c(C[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575317333 1045211859 /nfs/dbraw/zinc/21/18/59/1045211859.db2.gz GFGZHANKAKHDMI-GOSISDBHSA-N 2 1 329.463 4.366 50 0 EIAAMP Cc1c[nH+]c(C[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575317333 1045211876 /nfs/dbraw/zinc/21/18/76/1045211876.db2.gz GFGZHANKAKHDMI-GOSISDBHSA-N 2 1 329.463 4.366 50 0 EIAAMP COc1cccc(C[N@H+]2CCC[C@@H](Cc3ncc(C)n3C(C)C)C2)c1 ZINC000575317099 1045213546 /nfs/dbraw/zinc/21/35/46/1045213546.db2.gz BDRFUMHEMJVZDA-IBGZPJMESA-N 2 1 341.499 4.236 50 0 EIAAMP COc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000575317099 1045213558 /nfs/dbraw/zinc/21/35/58/1045213558.db2.gz BDRFUMHEMJVZDA-IBGZPJMESA-N 2 1 341.499 4.236 50 0 EIAAMP COc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000575317099 1045213572 /nfs/dbraw/zinc/21/35/72/1045213572.db2.gz BDRFUMHEMJVZDA-IBGZPJMESA-N 2 1 341.499 4.236 50 0 EIAAMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012203127 211320514 /nfs/dbraw/zinc/32/05/14/211320514.db2.gz OEELFBOPXJXLPM-UHFFFAOYSA-N 2 1 340.486 4.212 50 0 EIAAMP Fc1ccc(/C=C/C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000012072534 211286342 /nfs/dbraw/zinc/28/63/42/211286342.db2.gz XIZVMQSCBXHXHT-QMYPENSCSA-N 2 1 328.475 4.037 50 0 EIAAMP Fc1ccc(/C=C/C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000012072534 211286345 /nfs/dbraw/zinc/28/63/45/211286345.db2.gz XIZVMQSCBXHXHT-QMYPENSCSA-N 2 1 328.475 4.037 50 0 EIAAMP Fc1ccc(/C=C/C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000012072534 211286349 /nfs/dbraw/zinc/28/63/49/211286349.db2.gz XIZVMQSCBXHXHT-QMYPENSCSA-N 2 1 328.475 4.037 50 0 EIAAMP Fc1ccc(/C=C/C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cc1 ZINC000012072534 211286354 /nfs/dbraw/zinc/28/63/54/211286354.db2.gz XIZVMQSCBXHXHT-QMYPENSCSA-N 2 1 328.475 4.037 50 0 EIAAMP CC(C)CC[C@@]1(CC[NH2+]C2CC[NH+](C)CC2)CCO[C@H](C(C)C)C1 ZINC000008992493 211028903 /nfs/dbraw/zinc/02/89/03/211028903.db2.gz UOPPJLUPPAPMDX-LEWJYISDSA-N 2 1 338.580 4.318 50 0 EIAAMP C[NH+]1CCC([NH2+]CC[C@@](C)(Cc2ccccc2)c2ccccc2)CC1 ZINC000031807729 564159930 /nfs/dbraw/zinc/15/99/30/564159930.db2.gz YJFGBFWRWATYMM-QHCPKHFHSA-N 2 1 336.523 4.261 50 0 EIAAMP c1csc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000012471435 1043461917 /nfs/dbraw/zinc/46/19/17/1043461917.db2.gz KSTJRJDSRFNGQR-NRFANRHFSA-N 2 1 340.536 4.279 50 0 EIAAMP c1csc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1 ZINC000012471435 1043461923 /nfs/dbraw/zinc/46/19/23/1043461923.db2.gz KSTJRJDSRFNGQR-NRFANRHFSA-N 2 1 340.536 4.279 50 0 EIAAMP c1csc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1 ZINC000012471435 1043461933 /nfs/dbraw/zinc/46/19/33/1043461933.db2.gz KSTJRJDSRFNGQR-NRFANRHFSA-N 2 1 340.536 4.279 50 0 EIAAMP c1csc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1 ZINC000012471435 1043461942 /nfs/dbraw/zinc/46/19/42/1043461942.db2.gz KSTJRJDSRFNGQR-NRFANRHFSA-N 2 1 340.536 4.279 50 0 EIAAMP CCCn1c(C)cnc1C[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000575317480 1045212049 /nfs/dbraw/zinc/21/20/49/1045212049.db2.gz KTCCKDCZSDHAKD-IBGZPJMESA-N 2 1 341.499 4.065 50 0 EIAAMP CCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000575317480 1045212058 /nfs/dbraw/zinc/21/20/58/1045212058.db2.gz KTCCKDCZSDHAKD-IBGZPJMESA-N 2 1 341.499 4.065 50 0 EIAAMP CCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000575317480 1045212068 /nfs/dbraw/zinc/21/20/68/1045212068.db2.gz KTCCKDCZSDHAKD-IBGZPJMESA-N 2 1 341.499 4.065 50 0 EIAAMP C[C@@H](c1cccc(C[N@@H+](C)Cc2ccc3ncccc3c2)c1)[NH+](C)C ZINC000952982215 1049688203 /nfs/dbraw/zinc/68/82/03/1049688203.db2.gz FWILUOXNATZCFM-KRWDZBQOSA-N 2 1 333.479 4.489 50 0 EIAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000097604269 219040649 /nfs/dbraw/zinc/04/06/49/219040649.db2.gz FSHQETYHOUTJFD-JOCHJYFZSA-N 2 1 345.490 4.130 50 0 EIAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000097604269 219040650 /nfs/dbraw/zinc/04/06/50/219040650.db2.gz FSHQETYHOUTJFD-JOCHJYFZSA-N 2 1 345.490 4.130 50 0 EIAAMP C[N@@H+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C[C@@H]1CC=CCC1 ZINC000012430186 211378001 /nfs/dbraw/zinc/37/80/01/211378001.db2.gz MYRYIPXWTXOKGR-HXUWFJFHSA-N 2 1 344.518 4.368 50 0 EIAAMP C[NH+](C)Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccncc2Cl)cc1 ZINC000215648518 536021052 /nfs/dbraw/zinc/02/10/52/536021052.db2.gz MLTCTFXQUXSSEC-IBGZPJMESA-N 2 1 329.875 4.134 50 0 EIAAMP C[NH+](C)Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccncc2Cl)cc1 ZINC000215648518 536021055 /nfs/dbraw/zinc/02/10/55/536021055.db2.gz MLTCTFXQUXSSEC-IBGZPJMESA-N 2 1 329.875 4.134 50 0 EIAAMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000248742698 564078208 /nfs/dbraw/zinc/07/82/08/564078208.db2.gz AIDCRVKUMDYKPU-DSLXNQLJSA-N 2 1 341.524 4.032 50 0 EIAAMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000248742714 564078221 /nfs/dbraw/zinc/07/82/21/564078221.db2.gz AIDCRVKUMDYKPU-OWYHZJEWSA-N 2 1 341.524 4.032 50 0 EIAAMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000095422810 564140152 /nfs/dbraw/zinc/14/01/52/564140152.db2.gz YOQQOGUMPZQHFB-UONOGXRCSA-N 2 1 338.455 4.067 50 0 EIAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575548724 1045258138 /nfs/dbraw/zinc/25/81/38/1045258138.db2.gz JAURXPAPCACSER-SFHVURJKSA-N 2 1 334.467 4.008 50 0 EIAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575548724 1045258148 /nfs/dbraw/zinc/25/81/48/1045258148.db2.gz JAURXPAPCACSER-SFHVURJKSA-N 2 1 334.467 4.008 50 0 EIAAMP COc1cccc([C@@H]2CC[N@@H+]2Cc2cc(C[NH+]3CCCC3)cs2)c1 ZINC000215622245 537138904 /nfs/dbraw/zinc/13/89/04/537138904.db2.gz JFRKWTFLSFEWMU-FQEVSTJZSA-N 2 1 342.508 4.300 50 0 EIAAMP COc1cccc([C@@H]2CC[N@H+]2Cc2cc(C[NH+]3CCCC3)cs2)c1 ZINC000215622245 537138908 /nfs/dbraw/zinc/13/89/08/537138908.db2.gz JFRKWTFLSFEWMU-FQEVSTJZSA-N 2 1 342.508 4.300 50 0 EIAAMP C[NH2+]CCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000005267230 563524856 /nfs/dbraw/zinc/52/48/56/563524856.db2.gz FZKLDNOFPVAAMM-UHFFFAOYSA-N 2 1 334.463 4.118 50 0 EIAAMP CC[C@H](C)CC[NH2+]C1CCN(c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000048371812 563930381 /nfs/dbraw/zinc/93/03/81/563930381.db2.gz KPVGIFRSSADMAI-KRWDZBQOSA-N 2 1 340.515 4.175 50 0 EIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000077344252 563969111 /nfs/dbraw/zinc/96/91/11/563969111.db2.gz TYBYSBRWGBAHEB-KRWDZBQOSA-N 2 1 349.425 4.238 50 0 EIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC000077344252 563969112 /nfs/dbraw/zinc/96/91/12/563969112.db2.gz TYBYSBRWGBAHEB-KRWDZBQOSA-N 2 1 349.425 4.238 50 0 EIAAMP Fc1ccc2nc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc2c1 ZINC000077470868 563969897 /nfs/dbraw/zinc/96/98/97/563969897.db2.gz CTTWJLSHUFTWHK-FQEVSTJZSA-N 2 1 341.474 4.214 50 0 EIAAMP Fc1ccc2nc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc2c1 ZINC000077470868 563969898 /nfs/dbraw/zinc/96/98/98/563969898.db2.gz CTTWJLSHUFTWHK-FQEVSTJZSA-N 2 1 341.474 4.214 50 0 EIAAMP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000000212525 564012250 /nfs/dbraw/zinc/01/22/50/564012250.db2.gz USSRJIISWXGUKV-QGZVFWFLSA-N 2 1 326.459 4.011 50 0 EIAAMP Clc1cccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000000227206 564116691 /nfs/dbraw/zinc/11/66/91/564116691.db2.gz SCMAHPPFCLBIJG-UHFFFAOYSA-N 2 1 328.887 4.137 50 0 EIAAMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](C)C1 ZINC000095967986 564143116 /nfs/dbraw/zinc/14/31/16/564143116.db2.gz JKNMKSPSELCWLY-VQIMIIECSA-N 2 1 348.494 4.050 50 0 EIAAMP CC(C)Oc1ccc([C@H](CC[NH2+]C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000031817903 564159945 /nfs/dbraw/zinc/15/99/45/564159945.db2.gz UPCRAPFPEZOGTA-OAQYLSRUSA-N 2 1 332.532 4.287 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000245289841 564168990 /nfs/dbraw/zinc/16/89/90/564168990.db2.gz FMSNPGKCZILYJI-FRQCXROJSA-N 2 1 346.544 4.259 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000245289841 564168991 /nfs/dbraw/zinc/16/89/91/564168991.db2.gz FMSNPGKCZILYJI-FRQCXROJSA-N 2 1 346.544 4.259 50 0 EIAAMP c1csc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000012471425 1043462275 /nfs/dbraw/zinc/46/22/75/1043462275.db2.gz KSTJRJDSRFNGQR-OAQYLSRUSA-N 2 1 340.536 4.279 50 0 EIAAMP c1csc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1 ZINC000012471425 1043462280 /nfs/dbraw/zinc/46/22/80/1043462280.db2.gz KSTJRJDSRFNGQR-OAQYLSRUSA-N 2 1 340.536 4.279 50 0 EIAAMP c1csc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1 ZINC000012471425 1043462289 /nfs/dbraw/zinc/46/22/89/1043462289.db2.gz KSTJRJDSRFNGQR-OAQYLSRUSA-N 2 1 340.536 4.279 50 0 EIAAMP c1csc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1 ZINC000012471425 1043462295 /nfs/dbraw/zinc/46/22/95/1043462295.db2.gz KSTJRJDSRFNGQR-OAQYLSRUSA-N 2 1 340.536 4.279 50 0 EIAAMP c1sc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1C[NH+]1CCCCC1 ZINC000820414279 1043854931 /nfs/dbraw/zinc/85/49/31/1043854931.db2.gz ZZWOYYBUIOKKNV-HXUWFJFHSA-N 2 1 341.524 4.466 50 0 EIAAMP CCOc1ccccc1C[N@@H+]1CC[C@@H](Cc2[nH+]cc(C)n2C(C)C)C1 ZINC000581806485 1060014079 /nfs/dbraw/zinc/01/40/79/1060014079.db2.gz QPJCQFHWYHQQOE-SFHVURJKSA-N 2 1 341.499 4.236 50 0 EIAAMP CCOc1ccccc1C[N@H+]1CC[C@@H](Cc2[nH+]cc(C)n2C(C)C)C1 ZINC000581806485 1060014103 /nfs/dbraw/zinc/01/41/03/1060014103.db2.gz QPJCQFHWYHQQOE-SFHVURJKSA-N 2 1 341.499 4.236 50 0 EIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1c(C)ccc2ncccc21 ZINC000097822927 219058779 /nfs/dbraw/zinc/05/87/79/219058779.db2.gz FZIHAERSFBXDIM-IBGZPJMESA-N 2 1 348.494 4.493 50 0 EIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1c(C)ccc2ncccc21 ZINC000097822927 219058781 /nfs/dbraw/zinc/05/87/81/219058781.db2.gz FZIHAERSFBXDIM-IBGZPJMESA-N 2 1 348.494 4.493 50 0 EIAAMP C[N@@H+]1CC=C(c2ccc(OC[C@@H]3CCC[NH+]4CCCC[C@H]34)cc2)CC1 ZINC000072159047 216048023 /nfs/dbraw/zinc/04/80/23/216048023.db2.gz NGARRNMYIMZARM-RBBKRZOGSA-N 2 1 340.511 4.049 50 0 EIAAMP C[NH+]1CC=C(c2ccc(OC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000072159047 216048025 /nfs/dbraw/zinc/04/80/25/216048025.db2.gz NGARRNMYIMZARM-RBBKRZOGSA-N 2 1 340.511 4.049 50 0 EIAAMP C[NH+]1CC=C(c2ccc(OC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000072159047 216048029 /nfs/dbraw/zinc/04/80/29/216048029.db2.gz NGARRNMYIMZARM-RBBKRZOGSA-N 2 1 340.511 4.049 50 0 EIAAMP Clc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000000181945 209468513 /nfs/dbraw/zinc/46/85/13/209468513.db2.gz SYCDITLOPQNYCP-UHFFFAOYSA-N 2 1 328.887 4.137 50 0 EIAAMP C[N@@H+](CC1CC[NH+](CCc2ccccc2F)CC1)C[C@@H]1CC=CCC1 ZINC000012194429 211316047 /nfs/dbraw/zinc/31/60/47/211316047.db2.gz NQTLBBDMWXJRJB-LJQANCHMSA-N 2 1 344.518 4.368 50 0 EIAAMP CSC[C@H](C)[NH+](C)Cc1cccc(C[N@H+](C)[C@@H](C)CSC)c1 ZINC000072290427 563908903 /nfs/dbraw/zinc/90/89/03/563908903.db2.gz QTDYXQVFJCIBQA-HOTGVXAUSA-N 2 1 340.602 4.053 50 0 EIAAMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCOc4ccccc42)C3)cc1 ZINC000248408656 564064718 /nfs/dbraw/zinc/06/47/18/564064718.db2.gz CGJFPXBAYQZJKY-IIZPIQPGSA-N 2 1 348.490 4.295 50 0 EIAAMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCOc4ccccc42)C3)cc1 ZINC000248408656 564064719 /nfs/dbraw/zinc/06/47/19/564064719.db2.gz CGJFPXBAYQZJKY-IIZPIQPGSA-N 2 1 348.490 4.295 50 0 EIAAMP CC(C)CC[C@H](CC[NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000002208784 564121200 /nfs/dbraw/zinc/12/12/00/564121200.db2.gz PGDITDMWDRQRTE-QGZVFWFLSA-N 2 1 346.515 4.009 50 0 EIAAMP Cc1nc(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072146867 216033806 /nfs/dbraw/zinc/03/38/06/216033806.db2.gz RROFHRXDVGMTGJ-LJQANCHMSA-N 2 1 329.513 4.240 50 0 EIAAMP Cc1nc(C[N@@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072146867 216033808 /nfs/dbraw/zinc/03/38/08/216033808.db2.gz RROFHRXDVGMTGJ-LJQANCHMSA-N 2 1 329.513 4.240 50 0 EIAAMP COc1cccc([C@H]2CC[N@@H+]2Cc2cc(C[NH+]3CCCC3)cs2)c1 ZINC000215622284 241134699 /nfs/dbraw/zinc/13/46/99/241134699.db2.gz JFRKWTFLSFEWMU-HXUWFJFHSA-N 2 1 342.508 4.300 50 0 EIAAMP COc1cccc([C@H]2CC[N@H+]2Cc2cc(C[NH+]3CCCC3)cs2)c1 ZINC000215622284 241134705 /nfs/dbraw/zinc/13/47/05/241134705.db2.gz JFRKWTFLSFEWMU-HXUWFJFHSA-N 2 1 342.508 4.300 50 0 EIAAMP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)CCCc3ccccc3)CC2)o1 ZINC000012073521 211286863 /nfs/dbraw/zinc/28/68/63/211286863.db2.gz QETSFJBHTFFGFS-UHFFFAOYSA-N 2 1 340.511 4.365 50 0 EIAAMP CC(C)CC[C@]1(CC[NH2+]C2CC[NH+](C)CC2)CCO[C@H](C(C)C)C1 ZINC000008992492 211027877 /nfs/dbraw/zinc/02/78/77/211027877.db2.gz UOPPJLUPPAPMDX-SFTDATJTSA-N 2 1 338.580 4.318 50 0 EIAAMP CSC[C@@H](C)[N@@H+](C)Cc1cccc(C[NH+](C)[C@@H](C)CSC)c1 ZINC000072290428 563908891 /nfs/dbraw/zinc/90/88/91/563908891.db2.gz QTDYXQVFJCIBQA-IYBDPMFKSA-N 2 1 340.602 4.053 50 0 EIAAMP CSC[C@@H](C)[NH+](C)Cc1cccc(C[N@H+](C)[C@@H](C)CSC)c1 ZINC000072290428 563908892 /nfs/dbraw/zinc/90/88/92/563908892.db2.gz QTDYXQVFJCIBQA-IYBDPMFKSA-N 2 1 340.602 4.053 50 0 EIAAMP CSC[C@@H](C)[NH+](C)Cc1cccc(C[N@@H+](C)[C@@H](C)CSC)c1 ZINC000072290428 563908893 /nfs/dbraw/zinc/90/88/93/563908893.db2.gz QTDYXQVFJCIBQA-IYBDPMFKSA-N 2 1 340.602 4.053 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000245289842 564169008 /nfs/dbraw/zinc/16/90/08/564169008.db2.gz FMSNPGKCZILYJI-TXPKVOOTSA-N 2 1 346.544 4.259 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000245289842 564169009 /nfs/dbraw/zinc/16/90/09/564169009.db2.gz FMSNPGKCZILYJI-TXPKVOOTSA-N 2 1 346.544 4.259 50 0 EIAAMP Cc1c(C[N@H+](C)Cc2cc(C[NH+](C)C)cs2)[nH]c2ccccc12 ZINC000097674472 219045751 /nfs/dbraw/zinc/04/57/51/219045751.db2.gz MJMYOTIVQZIGNH-UHFFFAOYSA-N 2 1 327.497 4.231 50 0 EIAAMP CSc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000055197071 214286524 /nfs/dbraw/zinc/28/65/24/214286524.db2.gz OYRRUAPTYQETKH-HXUWFJFHSA-N 2 1 330.541 4.106 50 0 EIAAMP CSc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000055197071 214286529 /nfs/dbraw/zinc/28/65/29/214286529.db2.gz OYRRUAPTYQETKH-HXUWFJFHSA-N 2 1 330.541 4.106 50 0 EIAAMP CSc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000055197071 214286533 /nfs/dbraw/zinc/28/65/33/214286533.db2.gz OYRRUAPTYQETKH-HXUWFJFHSA-N 2 1 330.541 4.106 50 0 EIAAMP CSc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000055197071 214286535 /nfs/dbraw/zinc/28/65/35/214286535.db2.gz OYRRUAPTYQETKH-HXUWFJFHSA-N 2 1 330.541 4.106 50 0 EIAAMP Cc1cccnc1C[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000215856105 241149446 /nfs/dbraw/zinc/14/94/46/241149446.db2.gz DZCQISWZTDPXBZ-QGZVFWFLSA-N 2 1 343.540 4.110 50 0 EIAAMP c1cncc(C[N@@H+](CC2CC2)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012320876 211346147 /nfs/dbraw/zinc/34/61/47/211346147.db2.gz SFPJFERMKJCDCN-OAQYLSRUSA-N 2 1 341.543 4.338 50 0 EIAAMP c1cncc(C[NH+](CC2CC2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000012320876 211346150 /nfs/dbraw/zinc/34/61/50/211346150.db2.gz SFPJFERMKJCDCN-OAQYLSRUSA-N 2 1 341.543 4.338 50 0 EIAAMP c1cncc(C[NH+](CC2CC2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012320876 211346153 /nfs/dbraw/zinc/34/61/53/211346153.db2.gz SFPJFERMKJCDCN-OAQYLSRUSA-N 2 1 341.543 4.338 50 0 EIAAMP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)C/C=C/c3ccccc3)CC2)o1 ZINC000015068489 563775515 /nfs/dbraw/zinc/77/55/15/563775515.db2.gz BAQBMSFOVWVWJB-RMKNXTFCSA-N 2 1 338.495 4.445 50 0 EIAAMP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)cc[nH+]1 ZINC000082106313 563972244 /nfs/dbraw/zinc/97/22/44/563972244.db2.gz GODVZDZFJQWHGL-LJQANCHMSA-N 2 1 332.451 4.019 50 0 EIAAMP c1cc(CC[NH+]2CCC([NH2+]CC3CCCCCCC3)CC2)ccn1 ZINC000075093185 564079968 /nfs/dbraw/zinc/07/99/68/564079968.db2.gz YMRSRUHSZVLISQ-UHFFFAOYSA-N 2 1 329.532 4.039 50 0 EIAAMP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090728953 564086255 /nfs/dbraw/zinc/08/62/55/564086255.db2.gz MLUPXVFQTVBHNU-KBPBESRZSA-N 2 1 338.455 4.240 50 0 EIAAMP COc1cccc([C@H]2CCC[N@H+]2Cc2cc(C[NH+](C)C)cs2)c1 ZINC000215409132 241123317 /nfs/dbraw/zinc/12/33/17/241123317.db2.gz WGYRJHAHDNXZBT-LJQANCHMSA-N 2 1 330.497 4.155 50 0 EIAAMP CC[N@H+](CC=C(C)C)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012442648 211383072 /nfs/dbraw/zinc/38/30/72/211383072.db2.gz JHTMWRWEWLSFKH-FQEVSTJZSA-N 2 1 332.507 4.368 50 0 EIAAMP CC[N@@H+](CC=C(C)C)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012442648 211383075 /nfs/dbraw/zinc/38/30/75/211383075.db2.gz JHTMWRWEWLSFKH-FQEVSTJZSA-N 2 1 332.507 4.368 50 0 EIAAMP CC[NH+](CC=C(C)C)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012442648 211383077 /nfs/dbraw/zinc/38/30/77/211383077.db2.gz JHTMWRWEWLSFKH-FQEVSTJZSA-N 2 1 332.507 4.368 50 0 EIAAMP CC[NH+](CC=C(C)C)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012442648 211383080 /nfs/dbraw/zinc/38/30/80/211383080.db2.gz JHTMWRWEWLSFKH-FQEVSTJZSA-N 2 1 332.507 4.368 50 0 EIAAMP CC[N@@H+](CCCSC)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011879638 211264767 /nfs/dbraw/zinc/26/47/67/211264767.db2.gz BVSPOJOXIOOBAF-UHFFFAOYSA-N 2 1 348.600 4.325 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000095421354 218362712 /nfs/dbraw/zinc/36/27/12/218362712.db2.gz OQAGHVNAUXWCNE-DLBZAZTESA-N 2 1 346.544 4.088 50 0 EIAAMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000095421354 218362714 /nfs/dbraw/zinc/36/27/14/218362714.db2.gz OQAGHVNAUXWCNE-DLBZAZTESA-N 2 1 346.544 4.088 50 0 EIAAMP CC(C)(C)c1nc(C[NH+]2CCCCC2)cc(C[NH+]2CCCCC2)c1O ZINC000000186649 563255503 /nfs/dbraw/zinc/25/55/03/563255503.db2.gz YYNYGLXURQQEQG-UHFFFAOYSA-N 2 1 345.531 4.057 50 0 EIAAMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)o1 ZINC000014977638 563770069 /nfs/dbraw/zinc/77/00/69/563770069.db2.gz GJJXRNKKPORURF-UHFFFAOYSA-N 2 1 344.474 4.114 50 0 EIAAMP Cc1c[nH+]ccc1N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082107042 563972307 /nfs/dbraw/zinc/97/23/07/563972307.db2.gz SXYDHSIBVQLYJT-IBGZPJMESA-N 2 1 332.451 4.019 50 0 EIAAMP CC(C)[NH+]1CCC2(CC1)C[N@H+](C1CCCC1)Cc1ccccc1O2 ZINC000257186643 1022701321 /nfs/dbraw/zinc/70/13/21/1022701321.db2.gz KQLDZAIUMRAGEE-UHFFFAOYSA-N 2 1 328.500 4.067 50 0 EIAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1ccc2cccc(Cl)c2n1 ZINC000952971046 1049684849 /nfs/dbraw/zinc/68/48/49/1049684849.db2.gz INGRMUDQRFLYKJ-UHFFFAOYSA-N 2 1 342.874 4.388 50 0 EIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1c(C)ccc2ncccc21 ZINC000097822925 219058754 /nfs/dbraw/zinc/05/87/54/219058754.db2.gz FZIHAERSFBXDIM-LJQANCHMSA-N 2 1 348.494 4.493 50 0 EIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1c(C)ccc2ncccc21 ZINC000097822925 219058755 /nfs/dbraw/zinc/05/87/55/219058755.db2.gz FZIHAERSFBXDIM-LJQANCHMSA-N 2 1 348.494 4.493 50 0 EIAAMP Cc1ncsc1CC[N@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000216318486 241183177 /nfs/dbraw/zinc/18/31/77/241183177.db2.gz XRMFHFMRMVDKJJ-UHFFFAOYSA-N 2 1 349.569 4.173 50 0 EIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)CC3CCCC3)C2)cc1 ZINC000011878842 211262552 /nfs/dbraw/zinc/26/25/52/211262552.db2.gz AKADMUNWSXYXGU-OAQYLSRUSA-N 2 1 344.543 4.072 50 0 EIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)CC3CCCC3)C2)cc1 ZINC000011878842 211262557 /nfs/dbraw/zinc/26/25/57/211262557.db2.gz AKADMUNWSXYXGU-OAQYLSRUSA-N 2 1 344.543 4.072 50 0 EIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)CC3CCCC3)C2)cc1 ZINC000011878842 211262561 /nfs/dbraw/zinc/26/25/61/211262561.db2.gz AKADMUNWSXYXGU-OAQYLSRUSA-N 2 1 344.543 4.072 50 0 EIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000091831113 218072561 /nfs/dbraw/zinc/07/25/61/218072561.db2.gz RCXOWMCGOXKXPG-NRFANRHFSA-N 2 1 349.522 4.173 50 0 EIAAMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000095421353 218362695 /nfs/dbraw/zinc/36/26/95/218362695.db2.gz OQAGHVNAUXWCNE-IAGOWNOFSA-N 2 1 346.544 4.088 50 0 EIAAMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000095421353 218362698 /nfs/dbraw/zinc/36/26/98/218362698.db2.gz OQAGHVNAUXWCNE-IAGOWNOFSA-N 2 1 346.544 4.088 50 0 EIAAMP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC000077341358 563969029 /nfs/dbraw/zinc/96/90/29/563969029.db2.gz YZKVDMZQMYQGFY-QGZVFWFLSA-N 2 1 338.442 4.128 50 0 EIAAMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC000077341358 563969030 /nfs/dbraw/zinc/96/90/30/563969030.db2.gz YZKVDMZQMYQGFY-QGZVFWFLSA-N 2 1 338.442 4.128 50 0 EIAAMP COc1ccc(C2=CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000061107027 563993137 /nfs/dbraw/zinc/99/31/37/563993137.db2.gz NEGPHEKXVLHCSX-UHFFFAOYSA-N 2 1 345.446 4.170 50 0 EIAAMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058165467 564035588 /nfs/dbraw/zinc/03/55/88/564035588.db2.gz KAYKWKOWEOGULE-UHFFFAOYSA-N 2 1 348.412 4.460 50 0 EIAAMP C[C@H]1C[C@H](CC[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)C[C@@H](C)C1 ZINC000242339205 564088505 /nfs/dbraw/zinc/08/85/05/564088505.db2.gz ZFWGKUIBXXMISA-BWTSREIZSA-N 2 1 336.564 4.024 50 0 EIAAMP CN(C)C1(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)s2)CCCCC1 ZINC000952967706 1049689262 /nfs/dbraw/zinc/68/92/62/1049689262.db2.gz BOOZZMBHNGNBFD-UHFFFAOYSA-N 2 1 349.588 4.088 50 0 EIAAMP Fc1ccc(C2=CC[N@H+](C[C@@H]3CCC[NH+]4CCCC[C@H]34)CC2)cc1 ZINC000072153932 216042293 /nfs/dbraw/zinc/04/22/93/216042293.db2.gz BMJNLDIEMPQYHU-PZJWPPBQSA-N 2 1 328.475 4.179 50 0 EIAAMP Fc1ccc(C2=CC[N@@H+](C[C@@H]3CCC[NH+]4CCCC[C@H]34)CC2)cc1 ZINC000072153932 216042295 /nfs/dbraw/zinc/04/22/95/216042295.db2.gz BMJNLDIEMPQYHU-PZJWPPBQSA-N 2 1 328.475 4.179 50 0 EIAAMP Fc1ccc(C2=CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000072153932 216042299 /nfs/dbraw/zinc/04/22/99/216042299.db2.gz BMJNLDIEMPQYHU-PZJWPPBQSA-N 2 1 328.475 4.179 50 0 EIAAMP Fc1ccc(C2=CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000072153932 216042301 /nfs/dbraw/zinc/04/23/01/216042301.db2.gz BMJNLDIEMPQYHU-PZJWPPBQSA-N 2 1 328.475 4.179 50 0 EIAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000072172751 216064104 /nfs/dbraw/zinc/06/41/04/216064104.db2.gz QVUUMSSGKDDHOF-FQEVSTJZSA-N 2 1 346.478 4.166 50 0 EIAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000072172751 216064108 /nfs/dbraw/zinc/06/41/08/216064108.db2.gz QVUUMSSGKDDHOF-FQEVSTJZSA-N 2 1 346.478 4.166 50 0 EIAAMP c1cn(CC2CC2)c([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)[nH+]1 ZINC000082099863 132818474 /nfs/dbraw/zinc/81/84/74/132818474.db2.gz MSYSQNVXCJKLRE-KRWDZBQOSA-N 2 1 332.451 4.225 50 0 EIAAMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cncc(F)c1 ZINC000164996605 226106049 /nfs/dbraw/zinc/10/60/49/226106049.db2.gz QNWGPYRIGBWJJF-DEYYWGMASA-N 2 1 333.476 4.016 50 0 EIAAMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cncc(F)c1 ZINC000164996605 226106052 /nfs/dbraw/zinc/10/60/52/226106052.db2.gz QNWGPYRIGBWJJF-DEYYWGMASA-N 2 1 333.476 4.016 50 0 EIAAMP C[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000023280952 563918231 /nfs/dbraw/zinc/91/82/31/563918231.db2.gz FFGNWUUJSNHHRM-QGZVFWFLSA-N 2 1 326.459 4.011 50 0 EIAAMP FC(F)Oc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000077341813 563969076 /nfs/dbraw/zinc/96/90/76/563969076.db2.gz QRDHPWGAYNEPGU-QGZVFWFLSA-N 2 1 338.442 4.128 50 0 EIAAMP FC(F)Oc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000077341813 563969077 /nfs/dbraw/zinc/96/90/77/563969077.db2.gz QRDHPWGAYNEPGU-QGZVFWFLSA-N 2 1 338.442 4.128 50 0 EIAAMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000023280949 564036066 /nfs/dbraw/zinc/03/60/66/564036066.db2.gz FFGNWUUJSNHHRM-KRWDZBQOSA-N 2 1 326.459 4.011 50 0 EIAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccs3)CC2)cs1 ZINC000095422298 564140042 /nfs/dbraw/zinc/14/00/42/564140042.db2.gz QCSKNRNXMPCGFU-CYBMUJFWSA-N 2 1 335.542 4.076 50 0 EIAAMP C[NH+]1CCC([NH2+]CC[C@@](C)(c2cccs2)c2ccccc2)CC1 ZINC000031808703 564159910 /nfs/dbraw/zinc/15/99/10/564159910.db2.gz ARUHXPBBCKUSRX-HXUWFJFHSA-N 2 1 328.525 4.128 50 0 EIAAMP