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]([NH3+])CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC001331320912	917291240	/nfs/dbraw/zinc/29/12/40/917291240.db2.gz	ZSAWCFUCDMHVMF-LBPRGKRZSA-N	2	3	301.435	-1.208	20	0		DAADHP
C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000563661563	373139709	/nfs/dbraw/zinc/13/97/09/373139709.db2.gz	ZYOAMUCSZIKPRM-GFCCVEGCSA-N	2	3	301.435	-1.208	20	0		DAADHP
C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000581538784	409667126	/nfs/dbraw/zinc/66/71/26/409667126.db2.gz	LIWTXGKRGSGPCK-GFCCVEGCSA-N	2	3	301.435	-1.351	20	0		DAADHP
O=C([C@H]1C[NH2+]CC12CNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111010	779767027	/nfs/dbraw/zinc/76/70/27/779767027.db2.gz	JDTZEMAPPXEZBI-BDJLRTHQSA-N	2	3	319.409	-2.267	20	0		DAADHP
N[C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C1CC[NH2+]CC1	ZINC001158120354	779768680	/nfs/dbraw/zinc/76/86/80/779768680.db2.gz	LDXIAIXYHFKBFW-LRDDRELGSA-N	2	3	321.425	-1.749	20	0		DAADHP
N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158548771	779778176	/nfs/dbraw/zinc/77/81/76/779778176.db2.gz	ZFNQPRCRACPUQM-KZVDOYCCSA-N	2	3	314.455	-1.015	20	0		DAADHP
N[C@@H](CSCC[NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001161008060	779825279	/nfs/dbraw/zinc/82/52/79/779825279.db2.gz	NLJFIKKKFOCKDT-WDEREUQCSA-N	2	3	302.444	-1.279	20	0		DAADHP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)CC1	ZINC001161379971	779835681	/nfs/dbraw/zinc/83/56/81/779835681.db2.gz	SKAFVKCWYUAKHH-KGLIPLIRSA-N	2	3	307.442	-1.181	20	0		DAADHP
CN(C)CCN(C(=O)[C@H]1NC(=O)CC12C[NH2+]C2)[C@@H]1CCC[NH2+]C1	ZINC001161447245	779837199	/nfs/dbraw/zinc/83/71/99/779837199.db2.gz	WISPAGLYULRVOK-TZMCWYRMSA-N	2	3	323.441	-1.393	20	0		DAADHP
N[C@@H](CSCC[NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219800978	780148944	/nfs/dbraw/zinc/14/89/44/780148944.db2.gz	PQWMFZBBZUTTQX-MNOVXSKESA-N	2	3	302.444	-1.110	20	0		DAADHP
O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1C[NH2+]CC12CNC2	ZINC001220311090	780201201	/nfs/dbraw/zinc/20/12/01/780201201.db2.gz	KISXYUDIXNTLBD-NSHDSACASA-N	2	3	304.398	-1.198	20	0		DAADHP
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CNC3)O1	ZINC001220481225	780218097	/nfs/dbraw/zinc/21/80/97/780218097.db2.gz	AFTRJBDHQWAUCN-SFTQSGBHSA-N	2	3	312.414	-1.364	20	0		DAADHP
[NH3+]CCN(CCNC(=O)[C@H]1C[NH2+]CC12CNC2)N(O)N=O	ZINC001220901399	780256878	/nfs/dbraw/zinc/25/68/78/780256878.db2.gz	YKWHBSSPRYEXAF-SECBINFHSA-N	2	3	301.351	-2.540	20	0		DAADHP
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCC[NH3+]	ZINC000662929974	545842673	/nfs/dbraw/zinc/84/26/73/545842673.db2.gz	KIILRHAPXFKTJB-UHFFFAOYSA-N	2	3	301.435	-1.255	20	0		DAADHP
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1	ZINC000911557604	663149377	/nfs/dbraw/zinc/14/93/77/663149377.db2.gz	PSECICWKAJHGPQ-JOCQHMNTSA-N	2	3	313.446	-1.208	20	0		DAADHP
N[C@@H](CSCC[NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1	ZINC001158076552	779765725	/nfs/dbraw/zinc/76/57/25/779765725.db2.gz	JDKBBXJXBWUYRM-NSHDSACASA-N	2	3	302.444	-1.013	20	0		DAADHP
N[C@@H](CCCC[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121738	779769978	/nfs/dbraw/zinc/76/99/78/779769978.db2.gz	XDYUPTRDPAVKCN-NHYWBVRUSA-N	2	3	309.414	-1.619	20	0		DAADHP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]CC12CNC2	ZINC001158496508	779776797	/nfs/dbraw/zinc/77/67/97/779776797.db2.gz	PXDMDVJFCFHAEJ-QNWHQSFQSA-N	2	3	322.409	-1.453	20	0		DAADHP
O=C(N(c1ncccn1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001160915838	779823211	/nfs/dbraw/zinc/82/32/11/779823211.db2.gz	OLGKHKPCPQDYMF-IAQYHMDHSA-N	2	3	302.382	-1.020	20	0		DAADHP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)CSCC[NH3+]	ZINC001161157318	779829823	/nfs/dbraw/zinc/82/98/23/779829823.db2.gz	BCCVIPWPKHCWIU-JTQLQIEISA-N	2	3	306.432	-1.254	20	0		DAADHP
C[C@H](N)C(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1	ZINC001161449893	779836812	/nfs/dbraw/zinc/83/68/12/779836812.db2.gz	UZDHEGXCHSYEQM-RWMBFGLXSA-N	2	3	313.446	-1.020	20	0		DAADHP
N[C@@H](CSCC[NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219800979	780148562	/nfs/dbraw/zinc/14/85/62/780148562.db2.gz	PQWMFZBBZUTTQX-QWRGUYRKSA-N	2	3	302.444	-1.110	20	0		DAADHP
N[C@@H](CCC[NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219834741	780153491	/nfs/dbraw/zinc/15/34/91/780153491.db2.gz	SSPZYTGLYORDJE-OBJOEFQTSA-N	2	3	300.403	-1.436	20	0		DAADHP
N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219836782	780155135	/nfs/dbraw/zinc/15/51/35/780155135.db2.gz	FBFNYRRANNJEAT-VNHYZAJKSA-N	2	3	314.430	-1.046	20	0		DAADHP
O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001219849969	780155840	/nfs/dbraw/zinc/15/58/40/780155840.db2.gz	KGWXWNDCQHYXJL-OJKRMQCYSA-N	2	3	308.426	-1.074	20	0		DAADHP
COC(=O)C1(NC(=O)[C@@H](N)CSCC[NH3+])CC[NH2+]CC1	ZINC001220001100	780169508	/nfs/dbraw/zinc/16/95/08/780169508.db2.gz	HPWKNIPDLOUOCM-VIFPVBQESA-N	2	3	304.416	-1.583	20	0		DAADHP
[NH3+]CCOCCOCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1	ZINC001220519644	780223180	/nfs/dbraw/zinc/22/31/80/780223180.db2.gz	WLGLRMWDESOSHR-CYBMUJFWSA-N	2	3	314.430	-1.031	20	0		DAADHP
[NH3+]CCOCCOCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1	ZINC001220519644	780223184	/nfs/dbraw/zinc/22/31/84/780223184.db2.gz	WLGLRMWDESOSHR-CYBMUJFWSA-N	2	3	314.430	-1.031	20	0		DAADHP
[NH3+]CCOCCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001220519265	780223341	/nfs/dbraw/zinc/22/33/41/780223341.db2.gz	ILOQSWMMFGHANV-TZMCWYRMSA-N	2	3	300.403	-1.706	20	0		DAADHP
O=C1NCC[C@]12C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246626029	780455775	/nfs/dbraw/zinc/45/57/75/780455775.db2.gz	JDTABDVXZZCNLV-WBMJQRKESA-N	2	3	305.426	-1.508	20	0		DAADHP
O=C1NCC[C@]12C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246626029	780455778	/nfs/dbraw/zinc/45/57/78/780455778.db2.gz	JDTABDVXZZCNLV-WBMJQRKESA-N	2	3	305.426	-1.508	20	0		DAADHP
O=C1NCC[C@@]12C[N@@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246631306	780455802	/nfs/dbraw/zinc/45/58/02/780455802.db2.gz	WEWDYDVWKABRBI-MLGOLLRUSA-N	2	3	306.410	-1.081	20	0		DAADHP
O=C1NCC[C@@]12C[N@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246631306	780455804	/nfs/dbraw/zinc/45/58/04/780455804.db2.gz	WEWDYDVWKABRBI-MLGOLLRUSA-N	2	3	306.410	-1.081	20	0		DAADHP
N[C@@H]1CN(C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C[C@H]1[NH3+]	ZINC001553528097	930077336	/nfs/dbraw/zinc/07/73/36/930077336.db2.gz	MKXCMGBXLZAHOP-LXTVHRRPSA-N	2	3	322.457	-1.023	20	0		DAADHP
N[C@H]1CN(C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C[C@@H]1[NH3+]	ZINC001553528115	930077524	/nfs/dbraw/zinc/07/75/24/930077524.db2.gz	MKXCMGBXLZAHOP-XGUBFFRZSA-N	2	3	322.457	-1.023	20	0		DAADHP
C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000563661569	373139236	/nfs/dbraw/zinc/13/92/36/373139236.db2.gz	ZYOAMUCSZIKPRM-LBPRGKRZSA-N	2	3	301.435	-1.208	20	0		DAADHP
N[C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C1CC[NH2+]CC1	ZINC001158120352	779768636	/nfs/dbraw/zinc/76/86/36/779768636.db2.gz	LDXIAIXYHFKBFW-BLLLJJGKSA-N	2	3	321.425	-1.749	20	0		DAADHP
N[C@@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C1CC[NH2+]CC1	ZINC001158120355	779768698	/nfs/dbraw/zinc/76/86/98/779768698.db2.gz	LDXIAIXYHFKBFW-MLGOLLRUSA-N	2	3	321.425	-1.749	20	0		DAADHP
N[C@H](CCC[NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158259906	779773052	/nfs/dbraw/zinc/77/30/52/779773052.db2.gz	ACTBTYPLUHTOFS-LLVKDONJSA-N	2	3	307.402	-1.235	20	0		DAADHP
CN(C)CCN(C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)[C@H]1CCC[NH2+]C1	ZINC001161447240	779837069	/nfs/dbraw/zinc/83/70/69/779837069.db2.gz	WISPAGLYULRVOK-JSGCOSHPSA-N	2	3	323.441	-1.393	20	0		DAADHP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2	ZINC001161478363	779838311	/nfs/dbraw/zinc/83/83/11/779838311.db2.gz	MAGZSLVZOBWZQX-OZVIIMIRSA-N	2	3	322.409	-1.451	20	0		DAADHP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2	ZINC001161478361	779838863	/nfs/dbraw/zinc/83/88/63/779838863.db2.gz	MAGZSLVZOBWZQX-MKBNYLNASA-N	2	3	322.409	-1.451	20	0		DAADHP
N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219834740	780153921	/nfs/dbraw/zinc/15/39/21/780153921.db2.gz	SSPZYTGLYORDJE-MBNYWOFBSA-N	2	3	300.403	-1.436	20	0		DAADHP
N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219852767	780157960	/nfs/dbraw/zinc/15/79/60/780157960.db2.gz	ZGDJGWIDAGURHM-FIQHERPVSA-N	2	3	302.444	-1.254	20	0		DAADHP
COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC[NH2+]CC1	ZINC001219999083	780169308	/nfs/dbraw/zinc/16/93/08/780169308.db2.gz	JUJHJKOHBOQNEK-BXUZGUMPSA-N	2	3	310.398	-1.403	20	0		DAADHP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CNC3)O1	ZINC001220481223	780217366	/nfs/dbraw/zinc/21/73/66/780217366.db2.gz	AFTRJBDHQWAUCN-FMCLSXCISA-N	2	3	312.414	-1.364	20	0		DAADHP
CN(CCN1CC[NH2+]CC1)C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246048506	780449543	/nfs/dbraw/zinc/44/95/43/780449543.db2.gz	IVLWFJYEVUWUNF-AWEZNQCLSA-N	2	3	300.447	-1.311	20	0		DAADHP
O=C1NCC[C@]12C[N@@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246631307	780455044	/nfs/dbraw/zinc/45/50/44/780455044.db2.gz	WEWDYDVWKABRBI-WBMJQRKESA-N	2	3	306.410	-1.081	20	0		DAADHP
O=C1NCC[C@]12C[N@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246631307	780455050	/nfs/dbraw/zinc/45/50/50/780455050.db2.gz	WEWDYDVWKABRBI-WBMJQRKESA-N	2	3	306.410	-1.081	20	0		DAADHP
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000911374186	663143727	/nfs/dbraw/zinc/14/37/27/663143727.db2.gz	HGFNUHXHZOBJJZ-CHWSQXEVSA-N	2	3	313.446	-1.338	20	0		DAADHP
CC1([NH3+])CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1	ZINC001157643964	779757591	/nfs/dbraw/zinc/75/75/91/779757591.db2.gz	KMGNATPVMIEQTL-RYUDHWBXSA-N	2	3	311.430	-1.007	20	0		DAADHP
O=C(N1CC(=O)NC[C@@]12CC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001158092712	779765670	/nfs/dbraw/zinc/76/56/70/779765670.db2.gz	PIHXTUBGZFLRQL-BYCMXARLSA-N	2	3	307.398	-2.124	20	0		DAADHP
O=C([C@@H]1C[NH2+]CC12CNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111014	779767416	/nfs/dbraw/zinc/76/74/16/779767416.db2.gz	JDTZEMAPPXEZBI-MEDUHNTESA-N	2	3	319.409	-2.267	20	0		DAADHP
N[C@@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C1CC[NH2+]CC1	ZINC001158120356	779768948	/nfs/dbraw/zinc/76/89/48/779768948.db2.gz	LDXIAIXYHFKBFW-WBMJQRKESA-N	2	3	321.425	-1.749	20	0		DAADHP
N[C@@H](CCC[NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158259924	779772178	/nfs/dbraw/zinc/77/21/78/779772178.db2.gz	ACTBTYPLUHTOFS-NSHDSACASA-N	2	3	307.402	-1.235	20	0		DAADHP
O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158534004	779777797	/nfs/dbraw/zinc/77/77/97/779777797.db2.gz	QKIAWSKYHAPBSN-NFFDBFGFSA-N	2	3	306.410	-1.225	20	0		DAADHP
O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158534006	779777926	/nfs/dbraw/zinc/77/79/26/779777926.db2.gz	QKIAWSKYHAPBSN-VPWBDBDCSA-N	2	3	306.410	-1.225	20	0		DAADHP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)CC1	ZINC001161379973	779835931	/nfs/dbraw/zinc/83/59/31/779835931.db2.gz	SKAFVKCWYUAKHH-ZIAGYGMSSA-N	2	3	307.442	-1.181	20	0		DAADHP
N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219836781	780154748	/nfs/dbraw/zinc/15/47/48/780154748.db2.gz	FBFNYRRANNJEAT-KCQAQPDRSA-N	2	3	314.430	-1.046	20	0		DAADHP
C[N@@H+]1CCCN(CCNC(=O)[C@@H](N)CSCC[NH3+])CC1	ZINC001220307111	780201637	/nfs/dbraw/zinc/20/16/37/780201637.db2.gz	RZJFOHUBPNISQZ-LBPRGKRZSA-N	2	3	303.476	-1.241	20	0		DAADHP
C[N@H+]1CCCN(CCNC(=O)[C@@H](N)CSCC[NH3+])CC1	ZINC001220307111	780201642	/nfs/dbraw/zinc/20/16/42/780201642.db2.gz	RZJFOHUBPNISQZ-LBPRGKRZSA-N	2	3	303.476	-1.241	20	0		DAADHP
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])O1	ZINC001220481520	780218068	/nfs/dbraw/zinc/21/80/68/780218068.db2.gz	JRFMIMSZJHTTDG-WGBDABJCSA-N	2	3	320.459	-1.153	20	0		DAADHP
[NH3+]CCOCCOCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1	ZINC001220519645	780223460	/nfs/dbraw/zinc/22/34/60/780223460.db2.gz	WLGLRMWDESOSHR-ZDUSSCGKSA-N	2	3	314.430	-1.031	20	0		DAADHP
[NH3+]CCOCCOCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1	ZINC001220519645	780223466	/nfs/dbraw/zinc/22/34/66/780223466.db2.gz	WLGLRMWDESOSHR-ZDUSSCGKSA-N	2	3	314.430	-1.031	20	0		DAADHP
O=C1NCC[C@]12C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246626025	780455278	/nfs/dbraw/zinc/45/52/78/780455278.db2.gz	JDTABDVXZZCNLV-LRDDRELGSA-N	2	3	305.426	-1.508	20	0		DAADHP
O=C1NCC[C@]12C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246626025	780455284	/nfs/dbraw/zinc/45/52/84/780455284.db2.gz	JDTABDVXZZCNLV-LRDDRELGSA-N	2	3	305.426	-1.508	20	0		DAADHP
[NH3+]CCOCCOCCOCC[NH2+]C[C@]1(O)CCCNC1	ZINC001245994038	916170369	/nfs/dbraw/zinc/17/03/69/916170369.db2.gz	OAIHRSYJOZUDLS-AWEZNQCLSA-N	2	3	305.419	-1.301	20	0		DAADHP
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1	ZINC001332331706	917363789	/nfs/dbraw/zinc/36/37/89/917363789.db2.gz	LOZCTENRAKSEBN-BETUJISGSA-N	2	3	313.446	-1.208	20	0		DAADHP
N[C@@H](CCCC[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121739	779769422	/nfs/dbraw/zinc/76/94/22/779769422.db2.gz	XDYUPTRDPAVKCN-XHDPSFHLSA-N	2	3	309.414	-1.619	20	0		DAADHP
O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158534003	779777955	/nfs/dbraw/zinc/77/79/55/779777955.db2.gz	QKIAWSKYHAPBSN-BRXULGCHSA-N	2	3	306.410	-1.225	20	0		DAADHP
O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001161000131	779825029	/nfs/dbraw/zinc/82/50/29/779825029.db2.gz	QADLUDSWSZWXDL-VNHYZAJKSA-N	2	3	308.426	-1.099	20	0		DAADHP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001161158000	779829871	/nfs/dbraw/zinc/82/98/71/779829871.db2.gz	NGWPDJIGDIGXFX-IUODEOHRSA-N	2	3	312.414	-1.074	20	0		DAADHP
C[C@H](N)C(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1	ZINC001161449892	779836909	/nfs/dbraw/zinc/83/69/09/779836909.db2.gz	UZDHEGXCHSYEQM-AVGNSLFASA-N	2	3	313.446	-1.020	20	0		DAADHP
N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219836783	780154832	/nfs/dbraw/zinc/15/48/32/780154832.db2.gz	FBFNYRRANNJEAT-YDHLFZDLSA-N	2	3	314.430	-1.046	20	0		DAADHP
C[N@@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1	ZINC001220303872	780200072	/nfs/dbraw/zinc/20/00/72/780200072.db2.gz	HABLSYYOLDRXAZ-GDBMZVCRSA-N	2	3	309.458	-1.061	20	0		DAADHP
C[N@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1	ZINC001220303872	780200077	/nfs/dbraw/zinc/20/00/77/780200077.db2.gz	HABLSYYOLDRXAZ-GDBMZVCRSA-N	2	3	309.458	-1.061	20	0		DAADHP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])O1	ZINC001220481519	780218419	/nfs/dbraw/zinc/21/84/19/780218419.db2.gz	JRFMIMSZJHTTDG-SBFPOUOMSA-N	2	3	320.459	-1.153	20	0		DAADHP
CCOC(=O)C1=C(NC(=O)[C@@H](N)CSCC[NH3+])C[NH2+]C1	ZINC001220830500	780250167	/nfs/dbraw/zinc/25/01/67/780250167.db2.gz	ZDXFPCKDNWENCC-VIFPVBQESA-N	2	3	302.400	-1.458	20	0		DAADHP
C[NH+](C)CCCC[C@H](N)C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220900772	780256608	/nfs/dbraw/zinc/25/66/08/780256608.db2.gz	PNVZGALURPBXIF-NSHDSACASA-N	2	3	319.410	-1.290	20	0		DAADHP
[NH3+]CCN(CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)N(O)N=O	ZINC001220901395	780256986	/nfs/dbraw/zinc/25/69/86/780256986.db2.gz	YFLAHBUVUKRRHW-ZYHUDNBSSA-N	2	3	315.378	-2.150	20	0		DAADHP
O=C1NCC[C@@]12C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246626023	780455401	/nfs/dbraw/zinc/45/54/01/780455401.db2.gz	JDTABDVXZZCNLV-BLLLJJGKSA-N	2	3	305.426	-1.508	20	0		DAADHP
O=C1NCC[C@@]12C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246626023	780455404	/nfs/dbraw/zinc/45/54/04/780455404.db2.gz	JDTABDVXZZCNLV-BLLLJJGKSA-N	2	3	305.426	-1.508	20	0		DAADHP
[NH3+]CCCNC(=O)CN(CCC[NH3+])C1C[C@@H]2COC[C@H](C1)N2	ZINC001246921561	780458148	/nfs/dbraw/zinc/45/81/48/780458148.db2.gz	RGZKHFMRFAYIKU-PBWFPOADSA-N	2	3	313.446	-1.378	20	0		DAADHP
[NH3+]CCOCCOCCOCC[NH2+]C[C@@]1(O)CCCNC1	ZINC001245994039	916170420	/nfs/dbraw/zinc/17/04/20/916170420.db2.gz	OAIHRSYJOZUDLS-CQSZACIVSA-N	2	3	305.419	-1.301	20	0		DAADHP
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000515048636	409557955	/nfs/dbraw/zinc/55/79/55/409557955.db2.gz	LKLSDZGCLCUYQS-CYBMUJFWSA-N	2	3	313.446	-1.194	20	0		DAADHP
C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000581538785	409666612	/nfs/dbraw/zinc/66/66/12/409666612.db2.gz	LIWTXGKRGSGPCK-LBPRGKRZSA-N	2	3	301.435	-1.351	20	0		DAADHP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]1C2	ZINC001160792122	779819825	/nfs/dbraw/zinc/81/98/25/779819825.db2.gz	PTHSXDWTYPXQBV-FSPSUXSGSA-N	2	3	324.425	-1.090	20	0		DAADHP
[NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)CC1	ZINC001161379970	779835435	/nfs/dbraw/zinc/83/54/35/779835435.db2.gz	SKAFVKCWYUAKHH-KBPBESRZSA-N	2	3	307.442	-1.181	20	0		DAADHP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2	ZINC001161478360	779838285	/nfs/dbraw/zinc/83/82/85/779838285.db2.gz	MAGZSLVZOBWZQX-HSMVNMDESA-N	2	3	322.409	-1.451	20	0		DAADHP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2	ZINC001161478364	779838962	/nfs/dbraw/zinc/83/89/62/779838962.db2.gz	MAGZSLVZOBWZQX-WQGACYEGSA-N	2	3	322.409	-1.451	20	0		DAADHP
O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CC12CNC2	ZINC001219834727	780153418	/nfs/dbraw/zinc/15/34/18/780153418.db2.gz	SPHVPBVUANBDEJ-DVOMOZLQSA-N	2	3	324.425	-1.693	20	0		DAADHP
O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CC12CNC2	ZINC001219834730	780153428	/nfs/dbraw/zinc/15/34/28/780153428.db2.gz	SPHVPBVUANBDEJ-XJKCOSOUSA-N	2	3	324.425	-1.693	20	0		DAADHP
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(CCCC[NH3+])C(N)=[NH2+]	ZINC001220103159	780178064	/nfs/dbraw/zinc/17/80/64/780178064.db2.gz	JAVPRBQDEKQBAM-ONGXEEELSA-N	2	3	300.407	-1.063	20	0		DAADHP
O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1C[NH2+]CC12CNC2	ZINC001220311089	780201358	/nfs/dbraw/zinc/20/13/58/780201358.db2.gz	KISXYUDIXNTLBD-LLVKDONJSA-N	2	3	304.398	-1.198	20	0		DAADHP
O=C1NCC[C@@]12C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246626027	780455355	/nfs/dbraw/zinc/45/53/55/780455355.db2.gz	JDTABDVXZZCNLV-MLGOLLRUSA-N	2	3	305.426	-1.508	20	0		DAADHP
O=C1NCC[C@@]12C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246626027	780455358	/nfs/dbraw/zinc/45/53/58/780455358.db2.gz	JDTABDVXZZCNLV-MLGOLLRUSA-N	2	3	305.426	-1.508	20	0		DAADHP
C[NH+](C)C[C@@H]1CN(S(=O)(=O)C2CNC2)C[C@H]1C[NH+](C)C	ZINC000705927380	663688681	/nfs/dbraw/zinc/68/86/81/663688681.db2.gz	PIOYIDHYMKAISK-VXGBXAGGSA-N	2	3	304.460	-1.041	20	0		DAADHP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001157323079	779751701	/nfs/dbraw/zinc/75/17/01/779751701.db2.gz	LIOKMRNTGFZHPU-TYNCELHUSA-N	2	3	311.430	-1.455	20	0		DAADHP
O=C(N1CC(=O)NC[C@]12CC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001158092713	779766156	/nfs/dbraw/zinc/76/61/56/779766156.db2.gz	PIHXTUBGZFLRQL-KCPJHIHWSA-N	2	3	307.398	-2.124	20	0		DAADHP
O=C([C@@H]1C[NH2+]CC12CNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111016	779767564	/nfs/dbraw/zinc/76/75/64/779767564.db2.gz	JDTZEMAPPXEZBI-ZBEGNZNMSA-N	2	3	319.409	-2.267	20	0		DAADHP
N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158548772	779778188	/nfs/dbraw/zinc/77/81/88/779778188.db2.gz	ZFNQPRCRACPUQM-NRWUCQMLSA-N	2	3	314.455	-1.015	20	0		DAADHP
O=C(N1CC(O)([C@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001161000130	779824428	/nfs/dbraw/zinc/82/44/28/779824428.db2.gz	QADLUDSWSZWXDL-UMVBOHGHSA-N	2	3	308.426	-1.099	20	0		DAADHP
CN(C)CCN(C(=O)[C@H]1NC(=O)CC12C[NH2+]C2)[C@H]1CCC[NH2+]C1	ZINC001161447239	779836987	/nfs/dbraw/zinc/83/69/87/779836987.db2.gz	WISPAGLYULRVOK-GXTWGEPZSA-N	2	3	323.441	-1.393	20	0		DAADHP
CN(C)CCN(C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)[C@@H]1CCC[NH2+]C1	ZINC001161447243	779837408	/nfs/dbraw/zinc/83/74/08/779837408.db2.gz	WISPAGLYULRVOK-OCCSQVGLSA-N	2	3	323.441	-1.393	20	0		DAADHP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CC12CNC2	ZINC001219834729	780153432	/nfs/dbraw/zinc/15/34/32/780153432.db2.gz	SPHVPBVUANBDEJ-WWGRRREGSA-N	2	3	324.425	-1.693	20	0		DAADHP
N[C@@H](CCC[NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219834742	780153476	/nfs/dbraw/zinc/15/34/76/780153476.db2.gz	SSPZYTGLYORDJE-SGMGOOAPSA-N	2	3	300.403	-1.436	20	0		DAADHP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CNC3)O1	ZINC001220481224	780218312	/nfs/dbraw/zinc/21/83/12/780218312.db2.gz	AFTRJBDHQWAUCN-HKUMRIAESA-N	2	3	312.414	-1.364	20	0		DAADHP
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CNC3)O1	ZINC001220481222	780218363	/nfs/dbraw/zinc/21/83/63/780218363.db2.gz	AFTRJBDHQWAUCN-BYNQJWBRSA-N	2	3	312.414	-1.364	20	0		DAADHP
CCOC(=O)C1=C(NC(=O)[C@@H](N)CSCC[NH3+])CC[NH2+]C1	ZINC001220523777	780223428	/nfs/dbraw/zinc/22/34/28/780223428.db2.gz	UBZMOXRQBVPRNM-JTQLQIEISA-N	2	3	316.427	-1.068	20	0		DAADHP
O=C1NCC[C@@]12C[N@@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246631304	780455381	/nfs/dbraw/zinc/45/53/81/780455381.db2.gz	WEWDYDVWKABRBI-BLLLJJGKSA-N	2	3	306.410	-1.081	20	0		DAADHP
O=C1NCC[C@@]12C[N@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246631304	780455386	/nfs/dbraw/zinc/45/53/86/780455386.db2.gz	WEWDYDVWKABRBI-BLLLJJGKSA-N	2	3	306.410	-1.081	20	0		DAADHP
O=C1NCC[C@]12C[N@@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246631305	780455740	/nfs/dbraw/zinc/45/57/40/780455740.db2.gz	WEWDYDVWKABRBI-LRDDRELGSA-N	2	3	306.410	-1.081	20	0		DAADHP
O=C1NCC[C@]12C[N@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CC21CNC1	ZINC001246631305	780455743	/nfs/dbraw/zinc/45/57/43/780455743.db2.gz	WEWDYDVWKABRBI-LRDDRELGSA-N	2	3	306.410	-1.081	20	0		DAADHP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000627498946	373686161	/nfs/dbraw/zinc/68/61/61/373686161.db2.gz	SEDAFOMDIUOTAH-QWHCGFSZSA-N	2	3	313.446	-1.195	20	0		DAADHP
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000515048637	263273996	/nfs/dbraw/zinc/27/39/96/263273996.db2.gz	LKLSDZGCLCUYQS-ZDUSSCGKSA-N	2	3	313.446	-1.194	20	0		DAADHP
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1	ZINC001119427322	782752616	/nfs/dbraw/zinc/75/26/16/782752616.db2.gz	LOZCTENRAKSEBN-JOCQHMNTSA-N	2	3	313.446	-1.208	20	0		DAADHP
O=C([C@H]1C[NH2+]CC12CNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111012	779767206	/nfs/dbraw/zinc/76/72/06/779767206.db2.gz	JDTZEMAPPXEZBI-BZNIZROVSA-N	2	3	319.409	-2.267	20	0		DAADHP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001158496509	779776963	/nfs/dbraw/zinc/77/69/63/779776963.db2.gz	PXDMDVJFCFHAEJ-ZDEQEGDKSA-N	2	3	322.409	-1.453	20	0		DAADHP
O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158534005	779777908	/nfs/dbraw/zinc/77/79/08/779777908.db2.gz	QKIAWSKYHAPBSN-RSUWNVLCSA-N	2	3	306.410	-1.225	20	0		DAADHP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]1C2	ZINC001160792121	779820230	/nfs/dbraw/zinc/82/02/30/779820230.db2.gz	PTHSXDWTYPXQBV-CRQFQMBKSA-N	2	3	324.425	-1.090	20	0		DAADHP
N[C@@H](CSCC[NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001161008058	779824884	/nfs/dbraw/zinc/82/48/84/779824884.db2.gz	NLJFIKKKFOCKDT-QWRGUYRKSA-N	2	3	302.444	-1.279	20	0		DAADHP
[NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)CC1	ZINC001161379972	779835825	/nfs/dbraw/zinc/83/58/25/779835825.db2.gz	SKAFVKCWYUAKHH-UONOGXRCSA-N	2	3	307.442	-1.181	20	0		DAADHP
N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219834739	780153643	/nfs/dbraw/zinc/15/36/43/780153643.db2.gz	SSPZYTGLYORDJE-DYEKYZERSA-N	2	3	300.403	-1.436	20	0		DAADHP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CC12CNC2	ZINC001219834728	780153698	/nfs/dbraw/zinc/15/36/98/780153698.db2.gz	SPHVPBVUANBDEJ-IOASZLSFSA-N	2	3	324.425	-1.693	20	0		DAADHP
N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219836780	780154606	/nfs/dbraw/zinc/15/46/06/780154606.db2.gz	FBFNYRRANNJEAT-IPYPFGDCSA-N	2	3	314.430	-1.046	20	0		DAADHP
CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C[NH2+]C1	ZINC001220827182	780249977	/nfs/dbraw/zinc/24/99/77/780249977.db2.gz	JCHVXPJZBPIVPK-MEBBXXQBSA-N	2	3	308.382	-1.278	20	0		DAADHP
[NH3+]CCN(CCNC(=O)[C@@H]1C[NH2+]CC12CNC2)N(O)N=O	ZINC001220901400	780256707	/nfs/dbraw/zinc/25/67/07/780256707.db2.gz	YKWHBSSPRYEXAF-VIFPVBQESA-N	2	3	301.351	-2.540	20	0		DAADHP
N[C@@H](CSCC[NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220902995	780258111	/nfs/dbraw/zinc/25/81/11/780258111.db2.gz	IDSWSPYYQYQQKO-QMMMGPOBSA-N	2	3	309.396	-2.330	20	0		DAADHP
CN(CCN1CC[NH2+]CC1)C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246048510	780449315	/nfs/dbraw/zinc/44/93/15/780449315.db2.gz	IVLWFJYEVUWUNF-CQSZACIVSA-N	2	3	300.447	-1.311	20	0		DAADHP