smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+][C@@H](c1cccc(F)c1)C1CCCC1)c1ccccn1 ZINC000159362771 327175492 /nfs/dbraw/zinc/17/54/92/327175492.db2.gz ICOHISQISSLIDS-IFXJQAMLSA-N 1 0 298.405 4.803 20 70 CJIDRO C[C@@H]([NH2+][C@@H](c1cccc(F)c1)C1CCCC1)c1ccccn1 ZINC000159362901 327175537 /nfs/dbraw/zinc/17/55/37/327175537.db2.gz ICOHISQISSLIDS-AUUYWEPGSA-N 1 0 298.405 4.803 20 70 CJIDRO C[C@H]([NH2+][C@H](c1cccc(F)c1)C1CCCC1)c1ccccn1 ZINC000159363041 327175519 /nfs/dbraw/zinc/17/55/19/327175519.db2.gz ICOHISQISSLIDS-LIRRHRJNSA-N 1 0 298.405 4.803 20 70 CJIDRO C[C@@H]([NH2+][C@H](c1cccc(F)c1)C1CCCC1)c1ccccn1 ZINC000159363198 327174759 /nfs/dbraw/zinc/17/47/59/327174759.db2.gz ICOHISQISSLIDS-KUHUBIRLSA-N 1 0 298.405 4.803 20 70 CJIDRO CC[C@H]([NH2+][C@H](C)c1ccccc1C)c1nc(C)cs1 ZINC000159457714 327644053 /nfs/dbraw/zinc/64/40/53/327644053.db2.gz BFRJPIUSAJVYHI-HIFRSBDPSA-N 1 0 274.433 4.562 20 70 CJIDRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159493379 330848467 /nfs/dbraw/zinc/84/84/67/330848467.db2.gz YEXJHXAYTVYQPP-STQMWFEESA-N 1 0 275.342 4.685 20 70 CJIDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159493505 330848405 /nfs/dbraw/zinc/84/84/05/330848405.db2.gz YEXJHXAYTVYQPP-CHWSQXEVSA-N 1 0 275.342 4.685 20 70 CJIDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000159805549 327566360 /nfs/dbraw/zinc/56/63/60/327566360.db2.gz HFJZUFMHOHAXLK-CQSZACIVSA-N 1 0 295.382 4.601 20 70 CJIDRO c1oc2ccccc2c1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000159810459 330851772 /nfs/dbraw/zinc/85/17/72/330851772.db2.gz MNHVHCPEWPQCGG-IBGZPJMESA-N 1 0 277.367 4.674 20 70 CJIDRO c1oc2ccccc2c1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000159810599 330851688 /nfs/dbraw/zinc/85/16/88/330851688.db2.gz MNHVHCPEWPQCGG-LJQANCHMSA-N 1 0 277.367 4.674 20 70 CJIDRO FC(F)(F)C1CCC([NH2+]Cc2coc3ccccc23)CC1 ZINC000159812592 262375943 /nfs/dbraw/zinc/37/59/43/262375943.db2.gz CSFITGOMHCCUFL-UHFFFAOYSA-N 1 0 297.320 4.644 20 70 CJIDRO c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1coc2ccccc12 ZINC000159822907 330851884 /nfs/dbraw/zinc/85/18/84/330851884.db2.gz VEXLYAKVKWKGHS-HNNXBMFYSA-N 1 0 283.396 4.662 20 70 CJIDRO CC1([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CCC1 ZINC000159917559 327578431 /nfs/dbraw/zinc/57/84/31/327578431.db2.gz JKDYKZPFASSSIZ-UHFFFAOYSA-N 1 0 298.411 4.589 20 70 CJIDRO Cc1nc(-c2cc([C@@H](C)[NH2+][C@H](C)C3CC3)cs2)cs1 ZINC000160123628 260946345 /nfs/dbraw/zinc/94/63/45/260946345.db2.gz WSAYZRBTZDUVLM-NXEZZACHSA-N 1 0 292.473 4.629 20 70 CJIDRO Cc1cccc([C@@H](C)[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000160134986 327595931 /nfs/dbraw/zinc/59/59/31/327595931.db2.gz AFERMANRTFEVGX-CXAGYDPISA-N 1 0 271.429 4.858 20 70 CJIDRO Cc1cccc([C@@H](C)[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000160135118 327595944 /nfs/dbraw/zinc/59/59/44/327595944.db2.gz AFERMANRTFEVGX-DYVFJYSZSA-N 1 0 271.429 4.858 20 70 CJIDRO CSc1ccc(C[NH2+][C@H](C)c2cccc(C)c2)cc1 ZINC000160139103 327596206 /nfs/dbraw/zinc/59/62/06/327596206.db2.gz DZKJPPUOCDAQOJ-CQSZACIVSA-N 1 0 271.429 4.568 20 70 CJIDRO Cc1cccc([C@H](C)[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000160180683 327599052 /nfs/dbraw/zinc/59/90/52/327599052.db2.gz AFERMANRTFEVGX-SUMWQHHRSA-N 1 0 271.429 4.858 20 70 CJIDRO Cc1cccc([C@H](C)[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000160180831 327599129 /nfs/dbraw/zinc/59/91/29/327599129.db2.gz AFERMANRTFEVGX-GUYCJALGSA-N 1 0 271.429 4.858 20 70 CJIDRO C[C@H]([NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)c1ccco1 ZINC000160224508 327602815 /nfs/dbraw/zinc/60/28/15/327602815.db2.gz DRNCKUPEYURRNS-TVQRCGJNSA-N 1 0 296.197 4.925 20 70 CJIDRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc2c(c1)CCCC2 ZINC000160298644 330862750 /nfs/dbraw/zinc/86/27/50/330862750.db2.gz PECYWLQUHDQKMN-KGLIPLIRSA-N 1 0 298.405 4.511 20 70 CJIDRO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccc2c(c1)CCCC2 ZINC000160298921 330862630 /nfs/dbraw/zinc/86/26/30/330862630.db2.gz PECYWLQUHDQKMN-ZIAGYGMSSA-N 1 0 298.405 4.511 20 70 CJIDRO CCc1ccc([C@@H]([NH2+][C@@H](C)c2cncs2)C(C)C)cc1 ZINC000160401187 330864668 /nfs/dbraw/zinc/86/46/68/330864668.db2.gz XZFLEJJKSFHYEZ-GUYCJALGSA-N 1 0 288.460 4.753 20 70 CJIDRO CCc1ccc([C@@H]([NH2+][C@H](C)c2cncs2)C(C)C)cc1 ZINC000160401408 328021081 /nfs/dbraw/zinc/02/10/81/328021081.db2.gz XZFLEJJKSFHYEZ-DYVFJYSZSA-N 1 0 288.460 4.753 20 70 CJIDRO CC(C)c1ccc([C@H]([NH2+][C@@H](C)c2cnccn2)C(C)C)cc1 ZINC000160415187 261213647 /nfs/dbraw/zinc/21/36/47/261213647.db2.gz XEOQLPOMGGKHDM-HNAYVOBHSA-N 1 0 297.446 4.648 20 70 CJIDRO CC(C)c1ccc([C@@H]([NH2+][C@@H](C)c2cnccn2)C(C)C)cc1 ZINC000160415308 261213370 /nfs/dbraw/zinc/21/33/70/261213370.db2.gz XEOQLPOMGGKHDM-KXBFYZLASA-N 1 0 297.446 4.648 20 70 CJIDRO CC(C)c1ccc([C@H]([NH2+][C@H](C)c2cnccn2)C(C)C)cc1 ZINC000160415432 261213257 /nfs/dbraw/zinc/21/32/57/261213257.db2.gz XEOQLPOMGGKHDM-DNVCBOLYSA-N 1 0 297.446 4.648 20 70 CJIDRO CC(C)c1ccc([C@@H]([NH2+][C@H](C)c2cnccn2)C(C)C)cc1 ZINC000160415556 261213523 /nfs/dbraw/zinc/21/35/23/261213523.db2.gz XEOQLPOMGGKHDM-BEFAXECRSA-N 1 0 297.446 4.648 20 70 CJIDRO CC(C)c1ccc([C@H]([NH2+][C@@H](C)c2cnn(C)c2)C(C)C)cc1 ZINC000160415721 327608348 /nfs/dbraw/zinc/60/83/48/327608348.db2.gz JTBINSVYVNSFOA-HNAYVOBHSA-N 1 0 299.462 4.591 20 70 CJIDRO CCC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000160663230 261222664 /nfs/dbraw/zinc/22/26/64/261222664.db2.gz ICVNLWONECEGPC-PMACEKPBSA-N 1 0 297.442 4.631 20 70 CJIDRO CCC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000160663342 261222528 /nfs/dbraw/zinc/22/25/28/261222528.db2.gz ICVNLWONECEGPC-UXHICEINSA-N 1 0 297.442 4.631 20 70 CJIDRO CCC[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000160663464 261222575 /nfs/dbraw/zinc/22/25/75/261222575.db2.gz ICVNLWONECEGPC-VQTJNVASSA-N 1 0 297.442 4.631 20 70 CJIDRO CCC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000160663589 261222149 /nfs/dbraw/zinc/22/21/49/261222149.db2.gz ICVNLWONECEGPC-WOJBJXKFSA-N 1 0 297.442 4.631 20 70 CJIDRO CC[C@H]([NH2+]CCCCc1nc(C)cs1)c1cccs1 ZINC000160666036 327924120 /nfs/dbraw/zinc/92/41/20/327924120.db2.gz XGOUJYUSJNUUFC-ZDUSSCGKSA-N 1 0 294.489 4.577 20 70 CJIDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3sccc31)CC2 ZINC000160824339 526211738 /nfs/dbraw/zinc/21/17/38/526211738.db2.gz MHYVBSLGQDFWFV-IAGOWNOFSA-N 1 0 283.440 4.711 20 70 CJIDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3sccc31)CC2 ZINC000160824471 526193715 /nfs/dbraw/zinc/19/37/15/526193715.db2.gz MHYVBSLGQDFWFV-SJORKVTESA-N 1 0 283.440 4.711 20 70 CJIDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3sccc31)CC2 ZINC000160824602 526212273 /nfs/dbraw/zinc/21/22/73/526212273.db2.gz MHYVBSLGQDFWFV-DLBZAZTESA-N 1 0 283.440 4.711 20 70 CJIDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3sccc31)CC2 ZINC000160824735 526193479 /nfs/dbraw/zinc/19/34/79/526193479.db2.gz MHYVBSLGQDFWFV-IRXDYDNUSA-N 1 0 283.440 4.711 20 70 CJIDRO CC[C@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000160836947 328087935 /nfs/dbraw/zinc/08/79/35/328087935.db2.gz AGVMGNVRWOMRIF-KRWDZBQOSA-N 1 0 282.362 4.548 20 70 CJIDRO CC[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000160837081 328087980 /nfs/dbraw/zinc/08/79/80/328087980.db2.gz AGVMGNVRWOMRIF-QGZVFWFLSA-N 1 0 282.362 4.548 20 70 CJIDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000160866871 328090806 /nfs/dbraw/zinc/09/08/06/328090806.db2.gz OOFBCZYJSOHMBF-GFCCVEGCSA-N 1 0 277.770 4.638 20 70 CJIDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000160867113 328090723 /nfs/dbraw/zinc/09/07/23/328090723.db2.gz OOFBCZYJSOHMBF-LBPRGKRZSA-N 1 0 277.770 4.638 20 70 CJIDRO CC[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1)c1nc(C)cs1 ZINC000160890538 261230257 /nfs/dbraw/zinc/23/02/57/261230257.db2.gz IDLYBXFOFVOWDO-GJZGRUSLSA-N 1 0 292.423 4.783 20 70 CJIDRO CC[C@@H]([NH2+][C@@H](CC)c1nc(C)cs1)c1ccc(F)cc1 ZINC000160890707 261230354 /nfs/dbraw/zinc/23/03/54/261230354.db2.gz IDLYBXFOFVOWDO-CABCVRRESA-N 1 0 292.423 4.783 20 70 CJIDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1)c1nc(C)cs1 ZINC000160890819 261230417 /nfs/dbraw/zinc/23/04/17/261230417.db2.gz IDLYBXFOFVOWDO-LSDHHAIUSA-N 1 0 292.423 4.783 20 70 CJIDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1)c1nc(C)cs1 ZINC000160890861 261229859 /nfs/dbraw/zinc/22/98/59/261229859.db2.gz IDLYBXFOFVOWDO-HUUCEWRRSA-N 1 0 292.423 4.783 20 70 CJIDRO Cc1ccc(C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)s1 ZINC000160912059 261231245 /nfs/dbraw/zinc/23/12/45/261231245.db2.gz KPNAUUALEXTFNY-NSHDSACASA-N 1 0 294.489 4.796 20 70 CJIDRO Cc1ccc(C[NH2+][C@H](C)c2sc(C(C)C)nc2C)s1 ZINC000160912192 261230866 /nfs/dbraw/zinc/23/08/66/261230866.db2.gz KPNAUUALEXTFNY-LLVKDONJSA-N 1 0 294.489 4.796 20 70 CJIDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(C)s2)cc1F ZINC000160920348 328094722 /nfs/dbraw/zinc/09/47/22/328094722.db2.gz YVUSXLHUWQNZRW-NSHDSACASA-N 1 0 295.448 4.768 20 70 CJIDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C)s2)cc1F ZINC000160920478 328094706 /nfs/dbraw/zinc/09/47/06/328094706.db2.gz YVUSXLHUWQNZRW-LLVKDONJSA-N 1 0 295.448 4.768 20 70 CJIDRO Cc1cc([C@@H](C)[NH2+]Cc2cc(F)cc(Cl)c2)c(C)o1 ZINC000160921664 330879847 /nfs/dbraw/zinc/87/98/47/330879847.db2.gz IOGRMIOXMGQVRF-SNVBAGLBSA-N 1 0 281.758 4.540 20 70 CJIDRO Cc1cc([C@H](C)[NH2+]Cc2cc(F)cc(Cl)c2)c(C)o1 ZINC000160921768 330879859 /nfs/dbraw/zinc/87/98/59/330879859.db2.gz IOGRMIOXMGQVRF-JTQLQIEISA-N 1 0 281.758 4.540 20 70 CJIDRO Fc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000160932223 330880114 /nfs/dbraw/zinc/88/01/14/330880114.db2.gz RSHNZCOXMRTIRJ-CQSZACIVSA-N 1 0 295.810 4.708 20 70 CJIDRO Fc1cc(Cl)cc(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000160932351 526300486 /nfs/dbraw/zinc/30/04/86/526300486.db2.gz RSHNZCOXMRTIRJ-AWEZNQCLSA-N 1 0 295.810 4.708 20 70 CJIDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C)s1 ZINC000160939482 328096109 /nfs/dbraw/zinc/09/61/09/328096109.db2.gz WZDHWQSMPZMKML-NSHDSACASA-N 1 0 295.835 4.569 20 70 CJIDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C)s1 ZINC000160939601 328095986 /nfs/dbraw/zinc/09/59/86/328095986.db2.gz WZDHWQSMPZMKML-LLVKDONJSA-N 1 0 295.835 4.569 20 70 CJIDRO c1oc2ccccc2c1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000161085870 526628014 /nfs/dbraw/zinc/62/80/14/526628014.db2.gz ALIOEKHQRAVCHX-MRXNPFEDSA-N 1 0 295.407 4.760 20 70 CJIDRO c1oc2ccccc2c1C[NH2+][C@H]1CCSc2ccccc21 ZINC000161086008 526629441 /nfs/dbraw/zinc/62/94/41/526629441.db2.gz ALIOEKHQRAVCHX-INIZCTEOSA-N 1 0 295.407 4.760 20 70 CJIDRO Cc1ccc([C@@H](C)[NH2+]Cc2coc3ccccc23)c(C)c1 ZINC000161090665 260838643 /nfs/dbraw/zinc/83/86/43/260838643.db2.gz NGYGFESBVPUUAA-OAHLLOKOSA-N 1 0 279.383 4.900 20 70 CJIDRO Cc1ccc(C[NH2+][C@@H](C)c2cc3cc(C)c(C)cc3o2)cn1 ZINC000161272703 261241832 /nfs/dbraw/zinc/24/18/32/261241832.db2.gz PPWBAYGSZJAYHR-HNNXBMFYSA-N 1 0 294.398 4.604 20 70 CJIDRO Cc1ccc(C[NH2+][C@H](C)c2cc3cc(C)c(C)cc3o2)cn1 ZINC000161272821 261242305 /nfs/dbraw/zinc/24/23/05/261242305.db2.gz PPWBAYGSZJAYHR-OAHLLOKOSA-N 1 0 294.398 4.604 20 70 CJIDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)cn1 ZINC000161319484 261243127 /nfs/dbraw/zinc/24/31/27/261243127.db2.gz MUIFADTYSFCRBG-NSHDSACASA-N 1 0 295.213 4.548 20 70 CJIDRO Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)cn1 ZINC000161319583 261243413 /nfs/dbraw/zinc/24/34/13/261243413.db2.gz MUIFADTYSFCRBG-LLVKDONJSA-N 1 0 295.213 4.548 20 70 CJIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)cn1 ZINC000161320525 329925335 /nfs/dbraw/zinc/92/53/35/329925335.db2.gz HOVJCFAGDZVJCH-HNNXBMFYSA-N 1 0 292.382 4.501 20 70 CJIDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)o2)cn1 ZINC000161320632 329925388 /nfs/dbraw/zinc/92/53/88/329925388.db2.gz HOVJCFAGDZVJCH-OAHLLOKOSA-N 1 0 292.382 4.501 20 70 CJIDRO CC(C)C[C@H]([NH2+][C@@H](C)c1cncs1)c1cccs1 ZINC000161376078 329929157 /nfs/dbraw/zinc/92/91/57/329929157.db2.gz WZVJAEXQZJWDEH-RYUDHWBXSA-N 1 0 280.462 4.643 20 70 CJIDRO CC(C)C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cccs1 ZINC000161376204 329929185 /nfs/dbraw/zinc/92/91/85/329929185.db2.gz WZVJAEXQZJWDEH-NWDGAFQWSA-N 1 0 280.462 4.643 20 70 CJIDRO CC(C)C[C@@H]([NH2+][C@H](C)c1cncs1)c1cccs1 ZINC000161376456 517425625 /nfs/dbraw/zinc/42/56/25/517425625.db2.gz WZVJAEXQZJWDEH-VXGBXAGGSA-N 1 0 280.462 4.643 20 70 CJIDRO Cc1cc(C(C)(C)C)cc(C)c1C[NH2+][C@@H](C)c1cccnc1 ZINC000216727855 329299595 /nfs/dbraw/zinc/29/95/95/329299595.db2.gz CUCBMRKQAXJXOK-INIZCTEOSA-N 1 0 296.458 4.847 20 70 CJIDRO C[C@@H](OCCC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000216752440 330410790 /nfs/dbraw/zinc/41/07/90/330410790.db2.gz KULQAUBFZAXTII-DLBZAZTESA-N 1 0 283.415 4.505 20 70 CJIDRO C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1ccc(F)cc1 ZINC000217122705 329321599 /nfs/dbraw/zinc/32/15/99/329321599.db2.gz DONKCXYFZCFCLM-CQSZACIVSA-N 1 0 269.363 4.556 20 70 CJIDRO C[C@H]([NH2+]C1(c2ccccc2)CCC1)c1ccc(F)cc1 ZINC000217122717 329321548 /nfs/dbraw/zinc/32/15/48/329321548.db2.gz DONKCXYFZCFCLM-AWEZNQCLSA-N 1 0 269.363 4.556 20 70 CJIDRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000217617640 333122051 /nfs/dbraw/zinc/12/20/51/333122051.db2.gz XMIVIEPPODQFDL-OAGGEKHMSA-N 1 0 297.364 4.848 20 70 CJIDRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000217617724 333122048 /nfs/dbraw/zinc/12/20/48/333122048.db2.gz XMIVIEPPODQFDL-PMPSAXMXSA-N 1 0 297.364 4.848 20 70 CJIDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)o1 ZINC000217735829 333123423 /nfs/dbraw/zinc/12/34/23/333123423.db2.gz UZVSHJBURDSXKD-XVGQJIODSA-N 1 0 281.399 4.644 20 70 CJIDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)o1 ZINC000217736025 333123437 /nfs/dbraw/zinc/12/34/37/333123437.db2.gz UZVSHJBURDSXKD-OMWUSAIZSA-N 1 0 281.399 4.644 20 70 CJIDRO CC[C@@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000217769338 333123597 /nfs/dbraw/zinc/12/35/97/333123597.db2.gz VONCGRKAAHFZJG-CQSZACIVSA-N 1 0 297.826 4.824 20 70 CJIDRO CC[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000217769408 333123703 /nfs/dbraw/zinc/12/37/03/333123703.db2.gz VONCGRKAAHFZJG-AWEZNQCLSA-N 1 0 297.826 4.824 20 70 CJIDRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1Cl ZINC000218063894 333126268 /nfs/dbraw/zinc/12/62/68/333126268.db2.gz VACYHDCHEYUCST-GFCCVEGCSA-N 1 0 284.790 4.672 20 70 CJIDRO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1Cl ZINC000218063959 333126250 /nfs/dbraw/zinc/12/62/50/333126250.db2.gz VACYHDCHEYUCST-LBPRGKRZSA-N 1 0 284.790 4.672 20 70 CJIDRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000218064078 333126245 /nfs/dbraw/zinc/12/62/45/333126245.db2.gz UDVSLCXDULVGPZ-GFCCVEGCSA-N 1 0 284.790 4.672 20 70 CJIDRO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000218064161 333126272 /nfs/dbraw/zinc/12/62/72/333126272.db2.gz UDVSLCXDULVGPZ-LBPRGKRZSA-N 1 0 284.790 4.672 20 70 CJIDRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(Cl)cc1 ZINC000218064502 333126228 /nfs/dbraw/zinc/12/62/28/333126228.db2.gz NLXFFZPIJQJUGT-GFCCVEGCSA-N 1 0 284.790 4.672 20 70 CJIDRO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(Cl)cc1 ZINC000218064589 333126285 /nfs/dbraw/zinc/12/62/85/333126285.db2.gz NLXFFZPIJQJUGT-LBPRGKRZSA-N 1 0 284.790 4.672 20 70 CJIDRO CCc1ccc([C@@H](C)[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000218065078 333126254 /nfs/dbraw/zinc/12/62/54/333126254.db2.gz ABBJGBQEZSERDE-CQSZACIVSA-N 1 0 278.399 4.581 20 70 CJIDRO CCc1ccc([C@H](C)[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000218065173 333126361 /nfs/dbraw/zinc/12/63/61/333126361.db2.gz ABBJGBQEZSERDE-AWEZNQCLSA-N 1 0 278.399 4.581 20 70 CJIDRO CCC[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000218074125 333126669 /nfs/dbraw/zinc/12/66/69/333126669.db2.gz ILFICQVIJZWBBY-GOSISDBHSA-N 1 0 278.399 4.799 20 70 CJIDRO CC(C)[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000218080704 333126664 /nfs/dbraw/zinc/12/66/64/333126664.db2.gz AYRCDHJEJBLECM-GOSISDBHSA-N 1 0 278.399 4.655 20 70 CJIDRO Cc1cc([C@@H](C)[NH2+]Cc2cccc3cc[nH]c32)c(C)s1 ZINC000218089186 333126874 /nfs/dbraw/zinc/12/68/74/333126874.db2.gz XUTAXGWMFRLKFP-GFCCVEGCSA-N 1 0 284.428 4.697 20 70 CJIDRO Cc1cc([C@H](C)[NH2+]Cc2cccc3cc[nH]c32)c(C)s1 ZINC000218089253 333126832 /nfs/dbraw/zinc/12/68/32/333126832.db2.gz XUTAXGWMFRLKFP-LBPRGKRZSA-N 1 0 284.428 4.697 20 70 CJIDRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(Cl)s1 ZINC000218090036 333126704 /nfs/dbraw/zinc/12/67/04/333126704.db2.gz DIBZYRVGEVQINW-SNVBAGLBSA-N 1 0 290.819 4.734 20 70 CJIDRO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(Cl)s1 ZINC000218090114 333126854 /nfs/dbraw/zinc/12/68/54/333126854.db2.gz DIBZYRVGEVQINW-JTQLQIEISA-N 1 0 290.819 4.734 20 70 CJIDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3cc[nH]c32)c(C)c1 ZINC000218120729 333127168 /nfs/dbraw/zinc/12/71/68/333127168.db2.gz VHUYGXJBWBGXOF-OAHLLOKOSA-N 1 0 278.399 4.636 20 70 CJIDRO CC(C)c1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000218136153 333127349 /nfs/dbraw/zinc/12/73/49/333127349.db2.gz CKYUDRSSAWKKNE-UHFFFAOYSA-N 1 0 278.399 4.581 20 70 CJIDRO CSc1ccc([C@@H](C)[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000218151286 333127492 /nfs/dbraw/zinc/12/74/92/333127492.db2.gz ANKHHKVUTPOMJF-CYBMUJFWSA-N 1 0 296.439 4.741 20 70 CJIDRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000218156837 333127779 /nfs/dbraw/zinc/12/77/79/333127779.db2.gz GNDPXKAEXCGRNP-IJEWVQPXSA-N 1 0 297.364 4.775 20 70 CJIDRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000218156886 333127887 /nfs/dbraw/zinc/12/78/87/333127887.db2.gz GNDPXKAEXCGRNP-IIAWOOMASA-N 1 0 297.364 4.775 20 70 CJIDRO CCc1ccc(C[NH2+]Cc2c(CC)oc3ccccc32)s1 ZINC000218215690 263093196 /nfs/dbraw/zinc/09/31/96/263093196.db2.gz GHURACBIQBVGLW-UHFFFAOYSA-N 1 0 299.439 4.909 20 70 CJIDRO CCc1ccc(C[NH2+]Cc2cc(C)c(C)cc2C)s1 ZINC000218215870 333129551 /nfs/dbraw/zinc/12/95/51/333129551.db2.gz YJAYFKFTKYHPHR-UHFFFAOYSA-N 1 0 273.445 4.526 20 70 CJIDRO CCc1ccc(C[NH2+]Cc2c(C)cc(C)cc2C)s1 ZINC000218219182 333129654 /nfs/dbraw/zinc/12/96/54/333129654.db2.gz SOTQPQMOWFXUEE-UHFFFAOYSA-N 1 0 273.445 4.526 20 70 CJIDRO CCc1ccc(C[NH2+]Cc2csc3ccccc23)s1 ZINC000218220352 333129576 /nfs/dbraw/zinc/12/95/76/333129576.db2.gz GXUHHUOPBVSZAF-UHFFFAOYSA-N 1 0 287.453 4.815 20 70 CJIDRO